FMODB ID: 8N56Y
Calculation Name: 5EHK-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5EHK
Chain ID: A
UniProt ID: E2IHB7
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 1045 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -29722412.998639 |
---|---|
FMO2-HF: Nuclear repulsion | 29323506.183115 |
FMO2-HF: Total energy | -398906.815524 |
FMO2-MP2: Total energy | -400087.689777 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:4:ASP)
Summations of interaction energy for
fragment #1(A:4:ASP)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-21.516 | -28.006 | 26.145 | -10.55 | -9.103 | 0.122 |
Interaction energy analysis for fragmet #1(A:4:ASP)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 6 | PRO | 0 | 0.026 | 0.019 | 3.883 | -4.263 | -2.720 | -0.008 | -0.732 | -0.803 | 0.004 |
4 | A | 7 | PHE | 0 | -0.007 | 0.006 | 6.613 | -4.849 | -4.849 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 8 | ARG | 1 | 0.945 | 0.974 | 5.714 | -24.654 | -24.654 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | ALA | 0 | 0.024 | 0.003 | 7.321 | -2.651 | -2.651 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | TRP | 0 | -0.091 | -0.056 | 10.160 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | ASP | -1 | -0.806 | -0.884 | 12.727 | 20.289 | 20.289 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | VAL | 0 | -0.048 | -0.008 | 14.057 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | PHE | 0 | -0.018 | -0.016 | 15.710 | 0.592 | 0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | MET | 0 | -0.028 | 0.005 | 18.306 | -0.787 | -0.787 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | VAL | 0 | -0.004 | 0.004 | 21.142 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | ARG | 1 | 0.886 | 0.940 | 23.566 | -13.047 | -13.047 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | THR | 0 | 0.018 | -0.017 | 26.405 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | PRO | 0 | -0.020 | 0.014 | 29.084 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | VAL | 0 | -0.033 | -0.026 | 32.811 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 79 | HIS | 0 | 0.085 | 0.058 | 54.154 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 80 | LEU | 0 | 0.001 | -0.022 | 55.002 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 81 | SER | 0 | 0.008 | -0.016 | 55.743 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 82 | LEU | 0 | 0.036 | 0.029 | 48.338 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 83 | LEU | 0 | -0.024 | -0.019 | 51.555 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 84 | ARG | 1 | 0.916 | 0.934 | 53.139 | -5.361 | -5.361 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 85 | ALA | 0 | 0.013 | 0.018 | 51.719 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 86 | ALA | 0 | 0.045 | 0.019 | 48.226 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 87 | CYS | 0 | -0.095 | -0.059 | 49.434 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 88 | GLU | -1 | -0.957 | -0.970 | 51.199 | 5.858 | 5.858 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 89 | ASP | -1 | -0.861 | -0.914 | 44.331 | 7.194 | 7.194 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 90 | GLY | 0 | -0.002 | 0.001 | 46.227 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 91 | PRO | 0 | 0.067 | 0.019 | 40.835 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 92 | LEU | 0 | -0.009 | 0.003 | 42.705 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 93 | MET | 0 | -0.037 | -0.029 | 44.298 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 94 | GLU | -1 | -0.777 | -0.870 | 44.376 | 6.847 | 6.847 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 95 | ALA | 0 | 0.022 | 0.009 | 41.603 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 96 | VAL | 0 | -0.030 | -0.027 | 43.498 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 97 | GLU | -1 | -0.870 | -0.922 | 46.157 | 6.154 | 6.154 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 98 | LEU | 0 | -0.018 | 0.010 | 41.333 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 99 | ALA | 0 | -0.002 | 0.008 | 42.352 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 100 | SER | 0 | -0.040 | -0.031 | 44.338 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 101 | PRO | 0 | 0.145 | 0.078 | 47.695 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 102 | SER | 0 | -0.072 | -0.029 | 50.657 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 103 | LEU | 0 | -0.042 | -0.022 | 47.901 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 104 | ALA | 0 | 0.076 | 0.046 | 50.053 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 105 | GLY | 0 | 0.017 | 0.008 | 51.817 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 106 | LEU | 0 | -0.072 | -0.044 | 54.133 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 107 | LEU | 0 | 0.058 | 0.022 | 50.282 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 108 | ALA | 0 | 0.074 | 0.039 | 54.668 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 109 | ARG | 1 | 0.753 | 0.887 | 56.762 | -5.300 | -5.300 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 110 | VAL | 0 | 0.031 | 0.016 | 56.304 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 111 | ALA | 0 | 0.035 | 0.028 | 56.363 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 112 | ARG | 1 | 0.840 | 0.906 | 58.354 | -5.249 | -5.249 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 113 | GLY | 0 | 0.037 | 0.036 | 61.456 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 114 | ASP | -1 | -0.797 | -0.890 | 62.127 | 5.226 | 5.226 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 115 | THR | 0 | -0.053 | -0.053 | 63.243 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 116 | GLY | 0 | 0.030 | 0.028 | 65.977 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 117 | GLY | 0 | 0.018 | 0.015 | 65.785 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 118 | LEU | 0 | -0.037 | -0.009 | 58.478 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 119 | LYS | 1 | 0.935 | 0.946 | 60.345 | -5.205 | -5.205 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 120 | ASP | -1 | -0.844 | -0.919 | 60.127 | 5.470 | 5.470 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 121 | LYS | 1 | 0.996 | 0.984 | 57.176 | -5.427 | -5.427 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 122 | ARG | 1 | 0.891 | 0.950 | 56.362 | -5.429 | -5.429 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 123 | LEU | 0 | 0.054 | 0.031 | 55.524 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 124 | ARG | 1 | 1.008 | 1.005 | 52.568 | -5.947 | -5.947 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 125 | ARG | 1 | 0.979 | 0.989 | 51.704 | -5.879 | -5.879 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 126 | ALA | 0 | -0.015 | -0.007 | 50.768 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 127 | ALA | 0 | 0.015 | 0.009 | 50.387 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 128 | LEU | 0 | 0.051 | 0.026 | 47.557 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 129 | ALA | 0 | -0.044 | -0.019 | 46.390 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 130 | LEU | 0 | 0.013 | 0.005 | 45.643 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 131 | LEU | 0 | 0.004 | 0.012 | 44.195 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 132 | ARG | 1 | 0.793 | 0.864 | 42.024 | -7.130 | -7.130 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 133 | TYR | 0 | -0.055 | -0.029 | 40.759 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 134 | ASP | -1 | -0.819 | -0.907 | 40.860 | 7.585 | 7.585 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 135 | ILE | 0 | 0.034 | 0.018 | 37.765 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 136 | ARG | 1 | 0.887 | 0.966 | 35.409 | -8.221 | -8.221 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 137 | MET | 0 | -0.037 | 0.008 | 36.056 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 138 | ARG | 1 | 0.880 | 0.936 | 36.520 | -7.449 | -7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 139 | THR | 0 | -0.045 | -0.031 | 33.301 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 140 | ARG | 1 | 0.802 | 0.916 | 32.116 | -9.031 | -9.031 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 141 | PRO | 0 | 0.052 | 0.028 | 27.525 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 142 | THR | 0 | -0.030 | -0.024 | 29.492 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 143 | PRO | 0 | 0.024 | 0.029 | 28.395 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 144 | PHE | 0 | -0.103 | -0.061 | 31.465 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 145 | GLY | 0 | 0.037 | 0.033 | 35.220 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 146 | LEU | 0 | 0.056 | 0.008 | 37.897 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 147 | PHE | 0 | -0.024 | -0.033 | 37.048 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 148 | ALA | 0 | 0.032 | 0.024 | 32.040 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 149 | GLY | 0 | -0.014 | -0.002 | 31.684 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 150 | VAL | 0 | -0.012 | -0.016 | 26.935 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 151 | SER | 0 | 0.029 | 0.021 | 25.463 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 152 | GLY | 0 | 0.059 | 0.037 | 23.529 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 153 | GLY | 0 | -0.001 | -0.013 | 20.874 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 154 | ARG | 1 | 0.803 | 0.893 | 16.892 | -14.323 | -14.323 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 155 | PHE | 0 | 0.002 | 0.003 | 12.829 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 156 | ASP | -1 | -0.796 | -0.864 | 14.881 | 13.917 | 13.917 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 157 | THR | 0 | -0.050 | -0.038 | 14.630 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 158 | SER | 0 | -0.051 | -0.046 | 16.476 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 159 | ALA | 0 | 0.021 | 0.015 | 19.305 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 160 | LYS | 1 | 0.792 | 0.884 | 20.357 | -12.011 | -12.011 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 161 | TRP | 0 | 0.064 | 0.021 | 21.807 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 162 | LEU | 0 | 0.005 | 0.014 | 25.634 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 163 | ALA | 0 | 0.014 | 0.000 | 28.676 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 164 | GLY | 0 | 0.019 | 0.017 | 30.844 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 165 | THR | 0 | -0.041 | -0.041 | 33.924 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 166 | GLY | 0 | -0.035 | -0.002 | 36.259 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 167 | HIS | 0 | -0.004 | 0.009 | 33.693 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 168 | ARG | 1 | 0.846 | 0.920 | 35.683 | -7.723 | -7.723 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 169 | THR | 0 | -0.012 | -0.002 | 36.086 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 170 | ARG | 1 | 0.794 | 0.901 | 33.012 | -8.821 | -8.821 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 171 | THR | 0 | -0.036 | -0.057 | 38.118 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 172 | ARG | 1 | 0.823 | 0.917 | 35.166 | -8.292 | -8.292 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 173 | ALA | 0 | 0.021 | 0.010 | 41.328 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 174 | ASP | -1 | -0.791 | -0.871 | 42.347 | 7.206 | 7.206 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 175 | MET | 0 | 0.039 | -0.002 | 40.484 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 176 | GLU | -1 | -0.897 | -0.945 | 43.607 | 6.842 | 6.842 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 177 | TRP | 0 | -0.045 | -0.028 | 46.337 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 178 | LEU | 0 | -0.004 | 0.004 | 44.663 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 179 | LEU | 0 | -0.011 | -0.009 | 44.593 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 180 | SER | 0 | -0.022 | -0.016 | 48.448 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 181 | ALA | 0 | -0.041 | -0.015 | 50.889 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 182 | VAL | 0 | 0.023 | 0.004 | 47.976 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 183 | HIS | 0 | -0.007 | -0.010 | 49.597 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 184 | ARG | 1 | 0.801 | 0.898 | 53.441 | -5.671 | -5.671 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 185 | LEU | 0 | 0.041 | 0.024 | 52.337 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 186 | GLU | -1 | -0.769 | -0.834 | 50.607 | 6.171 | 6.171 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 187 | ARG | 1 | 0.928 | 0.966 | 54.958 | -5.261 | -5.261 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 188 | ASP | -1 | -0.744 | -0.805 | 58.263 | 5.086 | 5.086 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 189 | ARG | 1 | 0.901 | 0.924 | 59.006 | -4.832 | -4.832 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 190 | VAL | 0 | -0.016 | 0.011 | 60.460 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 191 | LEU | 0 | 0.044 | 0.016 | 54.897 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 192 | LEU | 0 | -0.032 | -0.013 | 54.401 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 193 | ALA | 0 | -0.027 | -0.022 | 55.625 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 194 | GLY | 0 | 0.022 | 0.016 | 56.288 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 195 | VAL | 0 | 0.004 | 0.008 | 51.046 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 196 | THR | 0 | -0.035 | -0.026 | 47.588 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 197 | VAL | 0 | -0.015 | -0.014 | 49.828 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 198 | GLN | 0 | 0.020 | 0.003 | 43.376 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 199 | ALA | 0 | 0.022 | 0.001 | 48.523 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 200 | HIS | 0 | 0.007 | 0.009 | 43.706 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 201 | GLN | 0 | 0.048 | 0.009 | 41.450 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 202 | THR | 0 | -0.013 | -0.017 | 41.752 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 203 | LEU | 0 | -0.083 | -0.014 | 44.440 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 204 | THR | 0 | 0.005 | 0.008 | 47.536 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 205 | VAL | 0 | -0.004 | -0.004 | 49.639 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 206 | ARG | 1 | 0.830 | 0.892 | 48.639 | -6.413 | -6.413 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 207 | GLY | 0 | 0.038 | 0.028 | 55.123 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 208 | ASP | -1 | -0.858 | -0.920 | 58.421 | 5.201 | 5.201 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 209 | ARG | 1 | 0.877 | 0.929 | 57.553 | -5.426 | -5.426 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 210 | ILE | 0 | -0.010 | 0.006 | 51.943 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 211 | VAL | 0 | -0.014 | -0.017 | 51.419 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 212 | LEU | 0 | 0.047 | 0.028 | 46.899 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 213 | ASP | -1 | -0.783 | -0.880 | 46.956 | 6.447 | 6.447 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 214 | CYS | 0 | -0.081 | -0.015 | 44.828 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 215 | PRO | 0 | 0.001 | 0.019 | 45.521 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 216 | SER | 0 | 0.000 | -0.006 | 45.016 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 217 | ALA | 0 | 0.011 | -0.013 | 46.605 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 218 | LEU | 0 | -0.015 | 0.013 | 42.583 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 219 | GLY | 0 | 0.042 | 0.039 | 47.115 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 220 | LYS | 1 | 0.749 | 0.854 | 49.969 | -6.490 | -6.490 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 228 | SER | 0 | 0.014 | -0.001 | 50.017 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 229 | THR | 0 | -0.033 | -0.034 | 49.586 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 230 | VAL | 0 | 0.033 | 0.033 | 51.764 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 231 | SER | 0 | 0.003 | 0.001 | 53.507 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 232 | ALA | 0 | 0.035 | 0.031 | 56.174 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 233 | ARG | 1 | 0.883 | 0.920 | 58.406 | -4.903 | -4.903 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 234 | ARG | 1 | 0.958 | 0.988 | 55.463 | -5.637 | -5.637 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 235 | SER | 0 | -0.008 | -0.012 | 59.395 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 236 | PRO | 0 | 0.041 | 0.004 | 60.953 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 237 | VAL | 0 | 0.043 | 0.032 | 61.086 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 238 | VAL | 0 | 0.033 | 0.017 | 57.401 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 239 | ALA | 0 | -0.044 | -0.026 | 56.702 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 240 | GLU | -1 | -0.803 | -0.877 | 56.116 | 5.318 | 5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 241 | ILE | 0 | -0.008 | -0.007 | 55.542 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 242 | LEU | 0 | -0.013 | -0.014 | 51.775 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 243 | GLY | 0 | -0.021 | -0.004 | 51.877 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 244 | ALA | 0 | -0.028 | -0.023 | 52.165 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 245 | ALA | 0 | 0.002 | 0.014 | 51.263 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 246 | ARG | 1 | 0.745 | 0.840 | 42.771 | -6.991 | -6.991 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 247 | ARG | 1 | 0.879 | 0.934 | 42.109 | -7.026 | -7.026 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 248 | PRO | 0 | -0.019 | 0.005 | 44.484 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 249 | VAL | 0 | 0.022 | 0.013 | 47.644 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 250 | LEU | 0 | -0.024 | -0.011 | 51.241 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 251 | ALA | 0 | 0.050 | 0.023 | 53.668 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 252 | GLY | 0 | 0.053 | 0.023 | 55.799 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 253 | ARG | 1 | 0.951 | 0.977 | 55.435 | -5.603 | -5.603 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 254 | LEU | 0 | 0.016 | 0.037 | 54.432 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 255 | ALA | 0 | 0.029 | 0.006 | 57.798 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 256 | GLN | 0 | -0.021 | -0.020 | 60.899 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 257 | SER | 0 | -0.012 | -0.013 | 59.822 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 258 | VAL | 0 | 0.000 | -0.008 | 59.410 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 259 | ALA | 0 | -0.038 | -0.018 | 62.359 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 260 | GLN | 0 | 0.009 | 0.002 | 65.278 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 261 | ARG | 1 | 0.802 | 0.888 | 62.490 | -5.071 | -5.071 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 262 | PHE | 0 | -0.054 | -0.035 | 62.210 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 263 | GLU | -1 | -0.923 | -0.943 | 67.546 | 4.334 | 4.334 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 264 | LEU | 0 | -0.069 | -0.027 | 66.083 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 265 | PRO | 0 | -0.012 | -0.023 | 69.070 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 266 | ALA | 0 | 0.083 | 0.025 | 65.519 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 267 | ASP | -1 | -0.834 | -0.889 | 64.818 | 4.833 | 4.833 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 268 | ARG | 1 | 0.957 | 0.975 | 65.304 | -4.459 | -4.459 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 269 | VAL | 0 | -0.010 | 0.004 | 61.404 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 270 | THR | 0 | 0.026 | -0.008 | 60.524 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 271 | GLY | 0 | -0.036 | -0.018 | 60.748 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 272 | LEU | 0 | 0.018 | 0.019 | 60.116 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 273 | LEU | 0 | -0.007 | -0.009 | 56.283 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 274 | ALA | 0 | 0.046 | 0.023 | 56.470 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 275 | ASP | -1 | -0.901 | -0.951 | 57.140 | 5.238 | 5.238 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 276 | MET | 0 | -0.077 | -0.034 | 55.198 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 277 | ALA | 0 | 0.021 | 0.025 | 52.777 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 278 | ALA | 0 | -0.025 | -0.013 | 52.714 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 279 | GLN | 0 | -0.104 | -0.069 | 54.166 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 280 | GLU | -1 | -0.802 | -0.873 | 48.533 | 6.610 | 6.610 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 281 | LEU | 0 | -0.006 | -0.008 | 49.621 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 282 | LEU | 0 | -0.032 | -0.017 | 50.562 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 283 | ILE | 0 | -0.011 | 0.001 | 44.800 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 284 | THR | 0 | 0.002 | -0.034 | 48.488 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 285 | ALA | 0 | 0.029 | 0.012 | 46.293 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 286 | LEU | 0 | 0.014 | 0.010 | 46.581 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 287 | ARG | 1 | 0.752 | 0.837 | 45.193 | -6.381 | -6.381 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 288 | PRO | 0 | 0.012 | 0.002 | 41.609 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 289 | PRO | 0 | 0.020 | 0.024 | 38.969 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 290 | LEU | 0 | -0.040 | -0.017 | 36.122 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 291 | ASP | -1 | -0.759 | -0.871 | 33.895 | 8.368 | 8.368 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 292 | GLY | 0 | 0.012 | 0.016 | 33.027 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 293 | ASP | -1 | -0.788 | -0.876 | 33.743 | 7.741 | 7.741 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 294 | ASP | -1 | -0.838 | -0.926 | 37.146 | 7.550 | 7.550 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 295 | PRO | 0 | -0.033 | -0.009 | 39.340 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 296 | LEU | 0 | 0.001 | -0.007 | 41.966 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 297 | GLN | 0 | 0.023 | -0.010 | 42.640 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 298 | HIS | 0 | 0.013 | 0.007 | 42.085 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 299 | VAL | 0 | -0.028 | -0.017 | 44.099 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 300 | LEU | 0 | -0.021 | -0.010 | 47.468 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 301 | ASP | -1 | -0.802 | -0.899 | 45.023 | 6.547 | 6.547 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 302 | VAL | 0 | -0.069 | -0.027 | 46.229 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 303 | VAL | 0 | -0.038 | -0.024 | 48.855 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 304 | ALA | 0 | 0.039 | 0.031 | 50.570 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 305 | ALA | 0 | -0.053 | -0.028 | 49.531 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 306 | ALA | 0 | -0.017 | -0.005 | 51.687 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 307 | GLU | -1 | -0.777 | -0.891 | 54.864 | 5.531 | 5.531 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 308 | ALA | 0 | -0.053 | -0.015 | 54.141 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 309 | ARG | 1 | 0.835 | 0.915 | 52.695 | -5.670 | -5.670 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 310 | ALA | 0 | -0.012 | 0.012 | 57.391 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 311 | GLY | 0 | -0.030 | -0.008 | 60.900 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 312 | SER | 0 | -0.068 | -0.081 | 62.330 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 313 | PRO | 0 | 0.024 | -0.013 | 58.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 314 | ALA | 0 | -0.055 | -0.004 | 60.657 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 315 | GLU | -1 | -0.787 | -0.866 | 63.893 | 4.876 | 4.876 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 316 | ALA | 0 | -0.036 | -0.006 | 58.864 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 317 | MET | 0 | -0.056 | -0.017 | 56.253 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 318 | SER | 0 | -0.027 | -0.029 | 60.750 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 319 | SER | 0 | 0.025 | -0.019 | 62.228 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 320 | GLU | -1 | -0.891 | -0.936 | 62.678 | 4.880 | 4.880 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 321 | SER | 0 | -0.031 | -0.040 | 58.432 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 322 | ALA | 0 | 0.065 | 0.030 | 58.080 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 323 | ALA | 0 | -0.030 | -0.013 | 58.870 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 324 | LEU | 0 | -0.056 | -0.020 | 54.664 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 325 | VAL | 0 | 0.031 | 0.007 | 53.722 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 326 | ALA | 0 | -0.002 | 0.002 | 54.270 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 327 | ALA | 0 | -0.005 | -0.003 | 55.461 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 328 | LEU | 0 | -0.027 | -0.020 | 50.088 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 329 | ARG | 1 | 0.818 | 0.878 | 50.658 | -5.696 | -5.696 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 330 | GLU | -1 | -0.792 | -0.836 | 51.689 | 5.559 | 5.559 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 331 | VAL | 0 | -0.015 | -0.015 | 48.208 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 332 | ASP | -1 | -0.801 | -0.898 | 45.863 | 6.755 | 6.755 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 333 | ALA | 0 | 0.002 | 0.005 | 47.304 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 334 | ARG | 1 | 0.782 | 0.859 | 49.138 | -5.689 | -5.689 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 335 | CYS | 0 | -0.048 | -0.008 | 44.077 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 336 | HIS | 0 | 0.001 | -0.002 | 42.978 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 337 | ALA | 0 | -0.064 | -0.014 | 45.282 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 338 | TYR | 0 | -0.036 | -0.044 | 43.221 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 339 | ASP | -1 | -0.748 | -0.859 | 40.962 | 7.534 | 7.534 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 340 | ARG | 1 | 0.839 | 0.909 | 41.671 | -6.454 | -6.454 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 341 | THR | 0 | -0.016 | 0.018 | 44.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 342 | ALA | 0 | 0.015 | 0.003 | 41.960 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 343 | VAL | 0 | 0.039 | 0.008 | 38.832 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 344 | GLY | 0 | 0.003 | -0.001 | 42.122 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 345 | GLN | 0 | -0.063 | -0.020 | 45.467 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 346 | GLY | 0 | 0.033 | 0.013 | 46.629 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 347 | ARG | 1 | 0.835 | 0.878 | 47.597 | -6.251 | -6.251 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 348 | ARG | 1 | 0.794 | 0.888 | 49.721 | -5.830 | -5.830 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 349 | GLU | -1 | -0.787 | -0.892 | 48.745 | 6.022 | 6.022 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 350 | LEU | 0 | 0.038 | 0.026 | 45.858 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 351 | ALA | 0 | -0.004 | 0.001 | 48.838 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 352 | GLU | -1 | -0.875 | -0.936 | 52.314 | 5.547 | 5.547 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 353 | LEU | 0 | -0.004 | 0.011 | 46.257 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 354 | ILE | 0 | 0.014 | 0.011 | 47.923 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 355 | GLN | 0 | 0.022 | 0.012 | 51.339 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 356 | SER | 0 | 0.032 | 0.013 | 52.680 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 357 | THR | 0 | -0.037 | -0.033 | 48.823 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 358 | ARG | 1 | 0.841 | 0.900 | 52.237 | -5.847 | -5.847 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 359 | ARG | 1 | 0.747 | 0.845 | 55.011 | -5.542 | -5.542 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 360 | VAL | 0 | -0.009 | 0.023 | 52.700 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 361 | HIS | 0 | 0.039 | 0.000 | 52.126 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 362 | PRO | 0 | -0.029 | 0.000 | 53.692 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 363 | HIS | 0 | 0.045 | 0.028 | 46.970 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 364 | ASP | -1 | -0.872 | -0.937 | 50.553 | 5.953 | 5.953 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 365 | THR | 0 | -0.059 | -0.028 | 44.852 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 366 | PRO | 0 | -0.003 | -0.001 | 45.772 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 367 | LEU | 0 | -0.009 | -0.001 | 43.859 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 368 | HIS | 0 | -0.054 | -0.030 | 35.412 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 369 | VAL | 0 | -0.014 | -0.011 | 38.384 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 370 | ASP | -1 | -0.809 | -0.859 | 33.496 | 9.017 | 9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 371 | LEU | 0 | 0.021 | 0.004 | 33.804 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 372 | ARG | 1 | 0.855 | 0.922 | 30.928 | -8.763 | -8.763 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 373 | ILE | 0 | -0.029 | -0.018 | 29.935 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 374 | ASP | -1 | -0.785 | -0.891 | 30.616 | 9.090 | 9.090 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 375 | LEU | 0 | -0.002 | -0.011 | 26.396 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 376 | GLU | -1 | -0.774 | -0.855 | 24.385 | 11.546 | 11.546 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 377 | VAL | 0 | -0.014 | -0.005 | 20.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 378 | ARG | 1 | 0.784 | 0.875 | 19.231 | -12.662 | -12.662 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 379 | LEU | 0 | 0.026 | 0.015 | 15.682 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 380 | PRO | 0 | 0.066 | 0.038 | 14.712 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 381 | GLU | -1 | -0.767 | -0.894 | 9.097 | 24.960 | 24.960 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 382 | VAL | 0 | -0.025 | 0.003 | 9.388 | 2.503 | 2.503 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 383 | VAL | 0 | 0.017 | -0.006 | 10.377 | 1.440 | 1.440 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 384 | ARG | 1 | 0.763 | 0.868 | 8.310 | -22.966 | -22.966 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 385 | THR | 0 | -0.011 | -0.017 | 4.754 | 2.217 | 2.257 | -0.001 | -0.001 | -0.037 | 0.000 |
317 | A | 386 | GLU | -1 | -0.822 | -0.875 | 6.740 | 30.270 | 30.270 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 387 | ILE | 0 | 0.030 | 0.008 | 9.409 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 388 | GLU | -1 | -0.792 | -0.882 | 4.751 | 36.718 | 36.811 | -0.001 | -0.006 | -0.085 | 0.000 |
320 | A | 389 | ARG | 1 | 0.782 | 0.886 | 1.714 | -111.607 | -121.601 | 25.334 | -8.854 | -6.486 | 0.114 |
321 | A | 390 | ALA | 0 | 0.004 | 0.008 | 7.150 | -1.502 | -1.502 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 391 | ALA | 0 | 0.000 | -0.003 | 9.743 | -1.515 | -1.515 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 392 | GLU | -1 | -0.855 | -0.914 | 5.400 | 48.610 | 48.710 | -0.001 | -0.004 | -0.095 | 0.000 |
324 | A | 393 | ALA | 0 | 0.041 | 0.021 | 8.746 | -1.953 | -1.953 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 394 | LEU | 0 | 0.008 | -0.010 | 10.853 | -1.881 | -1.881 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 395 | TRP | 0 | -0.054 | -0.032 | 11.148 | -0.947 | -0.947 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 396 | ARG | 1 | 0.782 | 0.861 | 8.281 | -34.072 | -34.072 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 397 | LEU | 0 | -0.021 | 0.003 | 12.971 | -1.263 | -1.263 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 398 | SER | 0 | -0.044 | -0.019 | 16.047 | -1.679 | -1.679 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 399 | PRO | 0 | 0.015 | 0.008 | 18.218 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 400 | PRO | 0 | 0.031 | 0.044 | 20.294 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 401 | ARG | 1 | 0.701 | 0.817 | 21.627 | -13.272 | -13.272 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 402 | ARG | 1 | 0.851 | 0.908 | 20.897 | -13.945 | -13.945 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 403 | GLY | 0 | 0.031 | 0.028 | 23.094 | -0.676 | -0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 404 | MET | 0 | -0.010 | -0.004 | 25.024 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 405 | ARG | 1 | 0.816 | 0.882 | 27.397 | -10.544 | -10.544 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 406 | ALA | 0 | -0.039 | -0.022 | 29.314 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 407 | LEU | 0 | 0.026 | 0.019 | 29.621 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 408 | ARG | 1 | 0.765 | 0.852 | 27.535 | -11.495 | -11.495 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 409 | ARG | 1 | 0.868 | 0.902 | 31.934 | -9.032 | -9.032 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 410 | TYR | 0 | -0.006 | -0.021 | 34.973 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 411 | HIS | 0 | 0.005 | 0.005 | 30.462 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 412 | GLU | -1 | -0.828 | -0.891 | 34.431 | 9.037 | 9.037 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 413 | ALA | 0 | 0.011 | 0.007 | 36.509 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 414 | PHE | 0 | 0.005 | 0.001 | 36.579 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 415 | LEU | 0 | -0.070 | -0.036 | 33.546 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 416 | GLU | -1 | -0.954 | -0.967 | 38.058 | 7.525 | 7.525 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 417 | ARG | 1 | 0.801 | 0.906 | 41.447 | -7.203 | -7.203 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 418 | TYR | 0 | -0.019 | -0.023 | 40.244 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 419 | GLY | 0 | 0.010 | 0.019 | 39.628 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 420 | ALA | 0 | -0.021 | -0.022 | 34.982 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 421 | ASP | -1 | -0.893 | -0.940 | 36.134 | 8.605 | 8.605 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 422 | ARG | 1 | 0.876 | 0.941 | 38.863 | -7.442 | -7.442 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 423 | ALA | 0 | -0.021 | 0.001 | 38.094 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 424 | VAL | 0 | -0.013 | -0.011 | 39.170 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 425 | PRO | 0 | 0.033 | 0.020 | 39.627 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 426 | LEU | 0 | -0.016 | 0.003 | 35.213 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 427 | LEU | 0 | -0.012 | -0.036 | 39.442 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 428 | GLU | -1 | -0.876 | -0.923 | 42.842 | 6.954 | 6.954 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 429 | LEU | 0 | 0.017 | 0.000 | 37.852 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 430 | LEU | 0 | 0.004 | 0.004 | 38.607 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 431 | ASP | -1 | -0.761 | -0.863 | 42.398 | 6.480 | 6.480 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 432 | ASP | -1 | -0.836 | -0.938 | 46.224 | 7.012 | 7.012 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 433 | THR | 0 | -0.102 | -0.033 | 47.581 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 434 | ARG | 1 | 0.793 | 0.885 | 47.756 | -6.450 | -6.450 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 435 | GLY | 0 | 0.004 | 0.024 | 44.301 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 436 | LEU | 0 | -0.044 | -0.040 | 39.648 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 437 | GLY | 0 | 0.079 | 0.074 | 43.292 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 438 | PRO | 0 | -0.029 | -0.008 | 40.239 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 439 | PRO | 0 | 0.035 | 0.035 | 35.778 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 440 | ALA | 0 | 0.059 | 0.030 | 37.865 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 441 | GLY | 0 | -0.024 | -0.013 | 37.335 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 442 | TYR | 0 | -0.085 | -0.072 | 33.406 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 443 | LYS | 1 | 0.931 | 0.963 | 38.210 | -8.286 | -8.286 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 444 | TRP | 0 | -0.043 | -0.022 | 39.308 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 445 | PRO | 0 | 0.091 | 0.021 | 42.126 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 446 | PRO | 0 | -0.027 | -0.015 | 43.066 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 447 | SER | 0 | -0.032 | -0.029 | 41.634 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 448 | GLU | -1 | -0.925 | -0.957 | 43.710 | 6.509 | 6.509 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 449 | THR | 0 | -0.037 | -0.007 | 41.054 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 450 | PRO | 0 | -0.026 | -0.011 | 42.445 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 451 | ALA | 0 | -0.005 | -0.013 | 38.502 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 452 | GLY | 0 | 0.018 | 0.003 | 37.373 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 453 | PRO | 0 | -0.001 | -0.008 | 35.977 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 454 | GLN | 0 | 0.042 | 0.026 | 34.511 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 455 | GLU | -1 | -0.768 | -0.859 | 28.291 | 11.218 | 11.218 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 456 | GLU | -1 | -0.839 | -0.888 | 32.167 | 9.268 | 9.268 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 457 | PRO | 0 | 0.003 | 0.003 | 29.937 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 458 | ARG | 1 | 0.929 | 0.979 | 20.329 | -14.893 | -14.893 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 459 | ARG | 1 | 0.839 | 0.886 | 28.024 | -9.839 | -9.839 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 460 | SER | 0 | 0.034 | 0.005 | 23.937 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 461 | ALA | 0 | 0.034 | 0.012 | 27.124 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 462 | ALA | 0 | 0.039 | 0.029 | 22.319 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 463 | LEU | 0 | 0.025 | 0.017 | 22.179 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 464 | ALA | 0 | 0.025 | 0.009 | 24.475 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 465 | ARG | 1 | 0.768 | 0.840 | 23.641 | -13.152 | -13.152 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 466 | LEU | 0 | -0.027 | -0.010 | 20.481 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 467 | VAL | 0 | 0.069 | 0.040 | 24.768 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 468 | ALA | 0 | 0.000 | -0.001 | 27.709 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 469 | LYS | 1 | 0.851 | 0.930 | 22.774 | -13.889 | -13.889 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 470 | ALA | 0 | 0.066 | 0.044 | 26.323 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 471 | ALA | 0 | 0.017 | 0.008 | 28.294 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 472 | ARG | 1 | 0.891 | 0.944 | 30.903 | -10.255 | -10.255 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 473 | ARG | 1 | 0.750 | 0.834 | 26.944 | -11.787 | -11.787 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 474 | GLY | 0 | 0.024 | 0.032 | 31.849 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 475 | GLU | -1 | -0.837 | -0.874 | 26.831 | 11.965 | 11.965 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 476 | ARG | 1 | 0.840 | 0.889 | 28.176 | -9.947 | -9.947 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 477 | GLU | -1 | -0.803 | -0.901 | 21.217 | 14.905 | 14.905 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 478 | ILE | 0 | -0.054 | -0.022 | 21.412 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 479 | VAL | 0 | -0.009 | 0.000 | 16.804 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 480 | ILE | 0 | -0.052 | -0.030 | 14.859 | -0.649 | -0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 481 | ASP | -1 | -0.798 | -0.888 | 13.104 | 20.230 | 20.230 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 482 | GLU | -1 | -0.759 | -0.846 | 9.833 | 30.984 | 30.984 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 483 | GLU | -1 | -0.909 | -0.953 | 12.132 | 21.139 | 21.139 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 484 | THR | 0 | -0.080 | -0.070 | 15.793 | -1.468 | -1.468 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 485 | ILE | 0 | -0.037 | -0.019 | 11.057 | -0.928 | -0.928 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 486 | ALA | 0 | 0.016 | 0.005 | 14.632 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 487 | GLU | -1 | -0.851 | -0.884 | 15.866 | 12.894 | 12.894 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 488 | LEU | 0 | -0.050 | -0.034 | 17.739 | -1.208 | -1.208 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 489 | ALA | 0 | 0.047 | 0.040 | 15.444 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 490 | TYR | 0 | -0.055 | -0.033 | 17.503 | -1.336 | -1.336 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 491 | ASP | -1 | -0.832 | -0.895 | 18.376 | 16.040 | 16.040 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 492 | GLU | -1 | -0.910 | -0.948 | 13.438 | 25.072 | 25.072 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 493 | ALA | 0 | -0.012 | 0.000 | 13.214 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 494 | ALA | 0 | 0.044 | 0.022 | 13.251 | 1.865 | 1.865 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 495 | PRO | 0 | 0.036 | 0.001 | 10.702 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 496 | ALA | 0 | 0.003 | -0.001 | 12.749 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 497 | ASP | -1 | -0.793 | -0.875 | 15.862 | 15.393 | 15.393 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 498 | LEU | 0 | -0.018 | 0.011 | 10.065 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 499 | PRO | 0 | -0.009 | 0.008 | 14.221 | -0.791 | -0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 500 | ASN | 0 | 0.028 | -0.001 | 14.556 | 1.705 | 1.705 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 501 | SER | 0 | -0.026 | -0.019 | 14.480 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 502 | LEU | 0 | -0.027 | 0.002 | 12.237 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 503 | GLU | -1 | -0.758 | -0.830 | 15.764 | 14.140 | 14.140 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 504 | LEU | 0 | 0.030 | 0.027 | 13.449 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 505 | GLY | 0 | 0.009 | 0.001 | 17.250 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 506 | VAL | 0 | -0.019 | -0.007 | 16.015 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 507 | HIS | 0 | 0.001 | -0.001 | 19.282 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 508 | VAL | 0 | -0.013 | -0.015 | 17.129 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 509 | VAL | 0 | -0.020 | -0.010 | 19.807 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 510 | ALA | 0 | 0.040 | -0.001 | 20.684 | 0.822 | 0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 511 | PRO | 0 | 0.014 | 0.027 | 22.655 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 512 | SER | 0 | 0.049 | -0.009 | 24.492 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 513 | LEU | 0 | 0.010 | -0.008 | 22.948 | 0.599 | 0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 514 | ASP | -1 | -0.873 | -0.927 | 21.845 | 12.406 | 12.406 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 515 | GLU | -1 | -0.856 | -0.908 | 21.655 | 12.773 | 12.773 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 516 | LEU | 0 | -0.038 | -0.021 | 17.349 | 0.856 | 0.856 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 517 | SER | 0 | -0.059 | -0.049 | 17.453 | 1.172 | 1.172 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 518 | ALA | 0 | -0.041 | -0.005 | 17.255 | 0.696 | 0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 519 | GLY | 0 | -0.021 | -0.003 | 15.519 | 0.728 | 0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 520 | THR | 0 | -0.050 | -0.019 | 16.209 | 1.050 | 1.050 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 521 | PHE | 0 | 0.008 | 0.006 | 12.646 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 522 | ARG | 1 | 0.790 | 0.873 | 17.454 | -15.235 | -15.235 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 523 | VAL | 0 | -0.006 | 0.003 | 14.141 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 524 | VAL | 0 | 0.006 | 0.002 | 17.249 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 525 | LEU | 0 | 0.009 | 0.010 | 15.652 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 526 | ALA | 0 | -0.005 | 0.009 | 19.698 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 527 | PRO | 0 | 0.013 | 0.018 | 23.046 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 528 | GLY | 0 | 0.001 | -0.012 | 25.430 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 529 | PRO | 0 | -0.040 | -0.011 | 24.414 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 530 | GLY | 0 | 0.060 | 0.030 | 20.497 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 531 | SER | 0 | -0.068 | -0.072 | 19.911 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 532 | HIS | 0 | 0.054 | 0.017 | 18.834 | 1.229 | 1.229 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 533 | HIS | 0 | -0.008 | -0.012 | 19.541 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 534 | ALA | 0 | 0.003 | 0.001 | 16.237 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 535 | GLY | 0 | 0.054 | 0.018 | 18.346 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 536 | ALA | 0 | -0.020 | 0.001 | 21.452 | -0.627 | -0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 537 | THR | 0 | -0.074 | -0.088 | 22.137 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 538 | LEU | 0 | -0.010 | -0.013 | 20.755 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 539 | GLY | 0 | 0.080 | 0.055 | 24.474 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 540 | ARG | 1 | 0.840 | 0.926 | 27.102 | -9.802 | -9.802 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 541 | PHE | 0 | -0.016 | -0.020 | 26.938 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 542 | THR | 0 | -0.005 | -0.007 | 28.441 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 543 | GLY | 0 | -0.034 | -0.025 | 29.453 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 544 | LEU | 0 | -0.046 | -0.025 | 30.407 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 545 | LEU | 0 | -0.026 | 0.001 | 25.539 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 546 | PRO | 0 | 0.040 | 0.016 | 26.489 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 547 | ASP | -1 | -0.898 | -0.954 | 24.570 | 11.334 | 11.334 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 548 | VAL | 0 | 0.007 | 0.000 | 20.855 | 0.512 | 0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 549 | ASP | -1 | -0.819 | -0.915 | 22.598 | 11.012 | 11.012 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 550 | ALA | 0 | 0.003 | 0.001 | 24.932 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 551 | GLU | -1 | -0.716 | -0.837 | 17.206 | 15.428 | 15.428 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 552 | SER | 0 | 0.009 | 0.001 | 20.467 | 0.549 | 0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 553 | ALA | 0 | -0.006 | -0.001 | 21.485 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 554 | ALA | 0 | -0.017 | -0.013 | 21.589 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 555 | ARG | 1 | 0.798 | 0.881 | 13.370 | -17.179 | -17.179 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 556 | GLN | 0 | -0.002 | -0.003 | 19.331 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 557 | ALA | 0 | -0.002 | 0.005 | 21.557 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 558 | GLY | 0 | -0.025 | 0.006 | 20.373 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 559 | ARG | 1 | 0.816 | 0.918 | 18.391 | -11.861 | -11.861 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 560 | PRO | 0 | -0.032 | -0.009 | 14.788 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 561 | LEU | 0 | -0.015 | -0.011 | 17.369 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 562 | HIS | 0 | 0.044 | 0.029 | 18.264 | 0.994 | 0.994 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 563 | ILE | 0 | -0.053 | -0.011 | 19.516 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 564 | GLN | 0 | -0.033 | -0.034 | 20.570 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 565 | ASP | -1 | -0.839 | -0.901 | 23.662 | 10.073 | 10.073 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 566 | ALA | 0 | -0.015 | 0.014 | 24.964 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 567 | VAL | 0 | -0.021 | -0.021 | 26.022 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 568 | ALA | 0 | 0.026 | 0.020 | 24.292 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 569 | ALA | 0 | -0.027 | -0.027 | 26.230 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 570 | ASP | -1 | -0.720 | -0.810 | 26.739 | 11.536 | 11.536 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 571 | VAL | 0 | -0.040 | -0.017 | 29.294 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 572 | ALA | 0 | 0.017 | 0.010 | 31.665 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 573 | PHE | 0 | 0.013 | -0.008 | 32.417 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 574 | ILE | 0 | 0.048 | 0.036 | 37.130 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 575 | PRO | 0 | -0.026 | -0.022 | 36.365 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 576 | ARG | 1 | 0.866 | 0.947 | 38.837 | -7.823 | -7.823 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 577 | SER | 0 | -0.009 | -0.015 | 39.824 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 578 | GLY | 0 | 0.099 | 0.050 | 40.440 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 579 | ARG | 1 | 0.915 | 0.952 | 38.074 | -7.901 | -7.901 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 580 | ALA | 0 | -0.002 | -0.001 | 36.230 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 581 | ALA | 0 | 0.021 | 0.006 | 36.093 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 582 | ASN | 0 | 0.000 | -0.016 | 37.499 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 583 | LEU | 0 | -0.049 | -0.022 | 32.511 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 584 | ALA | 0 | 0.007 | 0.000 | 32.292 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 585 | HIS | 0 | -0.012 | 0.004 | 34.144 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 586 | THR | 0 | -0.051 | -0.023 | 29.441 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 587 | PRO | 0 | 0.003 | 0.014 | 27.879 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 588 | SER | 0 | -0.083 | -0.061 | 28.762 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 589 | TYR | 0 | 0.007 | -0.022 | 25.198 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 590 | SER | 0 | -0.020 | -0.020 | 25.874 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 591 | GLY | 0 | 0.007 | 0.011 | 26.778 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 592 | ARG | 1 | 0.833 | 0.913 | 29.205 | -9.465 | -9.465 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 593 | ARG | 1 | 0.842 | 0.917 | 30.786 | -8.014 | -8.014 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 594 | ILE | 0 | 0.002 | 0.003 | 32.119 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 595 | SER | 0 | -0.028 | -0.048 | 35.147 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 596 | VAL | 0 | -0.064 | -0.041 | 36.738 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 597 | GLY | 0 | 0.008 | -0.010 | 39.389 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 598 | LEU | 0 | -0.070 | -0.026 | 37.904 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 599 | PRO | 0 | 0.041 | 0.028 | 41.870 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 600 | ASP | -1 | -0.792 | -0.887 | 40.052 | 7.579 | 7.579 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 601 | SER | 0 | -0.067 | -0.057 | 36.736 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 602 | GLY | 0 | -0.017 | -0.018 | 38.525 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 603 | ARG | 1 | 0.832 | 0.899 | 34.813 | -8.085 | -8.085 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 604 | ALA | 0 | 0.025 | 0.015 | 32.890 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 605 | GLN | 0 | -0.034 | -0.011 | 34.557 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 606 | GLU | -1 | -0.725 | -0.831 | 34.954 | 8.451 | 8.451 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 607 | ILE | 0 | -0.047 | -0.028 | 33.075 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 608 | PRO | 0 | 0.001 | 0.003 | 36.539 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 609 | LEU | 0 | 0.058 | 0.019 | 37.541 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 610 | ASP | -1 | -0.824 | -0.881 | 39.129 | 7.317 | 7.317 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 611 | GLU | -1 | -0.825 | -0.887 | 39.413 | 7.536 | 7.536 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 612 | LEU | 0 | -0.015 | -0.003 | 34.340 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 613 | GLY | 0 | 0.000 | -0.002 | 36.665 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 614 | VAL | 0 | -0.031 | -0.013 | 34.112 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 615 | GLY | 0 | 0.056 | 0.029 | 34.309 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 616 | ALA | 0 | 0.014 | 0.005 | 32.708 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 617 | ASN | 0 | 0.029 | 0.010 | 28.522 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 618 | LEU | 0 | 0.040 | 0.002 | 30.808 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 619 | GLU | -1 | -0.850 | -0.873 | 23.862 | 13.339 | 13.339 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 620 | ARG | 1 | 0.773 | 0.863 | 25.373 | -11.822 | -11.822 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 621 | LEU | 0 | 0.009 | 0.005 | 28.784 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 622 | CYS | 0 | -0.080 | -0.033 | 29.228 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 623 | LEU | 0 | 0.023 | 0.019 | 30.225 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 624 | VAL | 0 | 0.014 | -0.006 | 31.169 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 625 | HIS | 0 | 0.014 | 0.018 | 33.758 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 626 | LEU | 0 | 0.003 | -0.009 | 35.601 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 627 | PRO | 0 | -0.054 | -0.028 | 38.770 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 628 | THR | 0 | -0.042 | -0.041 | 35.538 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 629 | GLY | 0 | -0.007 | 0.019 | 35.954 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 630 | ARG | 1 | 0.853 | 0.888 | 28.961 | -9.900 | -9.900 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 631 | GLU | -1 | -0.722 | -0.862 | 27.868 | 11.087 | 11.087 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 632 | VAL | 0 | -0.035 | -0.013 | 28.940 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 633 | VAL | 0 | 0.012 | 0.014 | 22.851 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 634 | PRO | 0 | -0.014 | 0.003 | 25.808 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 635 | ALA | 0 | 0.032 | 0.020 | 24.138 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 636 | LEU | 0 | -0.006 | -0.009 | 25.617 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 637 | PRO | 0 | 0.022 | 0.029 | 25.345 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 638 | ASN | 0 | -0.001 | -0.017 | 26.434 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 639 | MET | 0 | 0.009 | 0.014 | 24.203 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 640 | VAL | 0 | -0.027 | 0.000 | 27.966 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 641 | SER | 0 | 0.019 | -0.007 | 30.799 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 642 | ALA | 0 | 0.071 | 0.028 | 31.114 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 643 | PHE | 0 | -0.003 | -0.003 | 32.186 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 644 | ALA | 0 | -0.003 | -0.019 | 33.906 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 645 | GLN | 0 | -0.027 | 0.006 | 35.643 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 646 | ALA | 0 | 0.053 | 0.043 | 34.683 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 647 | PRO | 0 | -0.019 | -0.002 | 36.809 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 648 | ASN | 0 | 0.050 | -0.007 | 37.769 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 649 | PRO | 0 | 0.053 | 0.016 | 37.124 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 650 | ALA | 0 | 0.028 | 0.022 | 34.847 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 651 | ARG | 1 | 0.751 | 0.884 | 33.128 | -9.028 | -9.028 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 652 | LEU | 0 | 0.047 | 0.024 | 32.302 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 653 | LEU | 0 | 0.002 | -0.001 | 31.942 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 654 | PHE | 0 | 0.003 | -0.006 | 25.768 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 655 | GLU | -1 | -0.790 | -0.873 | 27.592 | 10.454 | 10.454 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 656 | LEU | 0 | 0.023 | -0.004 | 27.845 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 657 | GLY | 0 | -0.010 | 0.010 | 26.298 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 658 | LEU | 0 | -0.047 | -0.027 | 22.274 | 0.622 | 0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 659 | GLU | -1 | -0.716 | -0.821 | 23.501 | 11.863 | 11.863 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 660 | GLY | 0 | -0.011 | -0.011 | 23.144 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 661 | GLN | 0 | 0.004 | 0.011 | 18.859 | 1.281 | 1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 662 | ARG | 1 | 0.769 | 0.855 | 16.123 | -18.882 | -18.882 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 663 | LEU | 0 | -0.012 | -0.007 | 17.671 | 0.961 | 0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 664 | TRP | 0 | -0.012 | -0.002 | 16.044 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 665 | GLU | -1 | -0.822 | -0.922 | 17.854 | 12.731 | 12.731 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 666 | PRO | 0 | 0.002 | -0.019 | 18.677 | 0.824 | 0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 667 | TRP | 0 | 0.035 | 0.021 | 16.823 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 668 | ASP | -1 | -0.862 | -0.927 | 20.416 | 11.718 | 11.718 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 669 | TRP | 0 | 0.022 | -0.001 | 23.430 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 670 | GLY | 0 | 0.015 | 0.006 | 25.682 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 671 | ALA | 0 | -0.062 | -0.054 | 28.057 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 672 | LEU | 0 | -0.039 | -0.017 | 26.962 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 673 | SER | 0 | -0.009 | -0.007 | 30.444 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 674 | GLU | -1 | -0.849 | -0.910 | 31.270 | 8.931 | 8.931 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 675 | MET | 0 | -0.040 | -0.004 | 31.486 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 676 | PRO | 0 | -0.020 | -0.005 | 33.836 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 677 | PHE | 0 | -0.019 | -0.014 | 28.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 678 | LEU | 0 | -0.037 | -0.003 | 27.381 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 679 | PRO | 0 | 0.010 | 0.015 | 25.116 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 680 | GLY | 0 | 0.006 | 0.002 | 23.463 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 681 | VAL | 0 | -0.015 | -0.017 | 18.233 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 682 | ARG | 1 | 0.777 | 0.865 | 16.195 | -15.334 | -15.334 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 683 | TYR | 0 | 0.005 | 0.016 | 7.373 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 684 | GLY | 0 | 0.022 | 0.013 | 11.461 | 0.797 | 0.797 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 685 | ARG | 1 | 0.795 | 0.873 | 10.750 | -25.679 | -25.679 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 686 | THR | 0 | -0.011 | -0.028 | 12.643 | -1.766 | -1.766 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 687 | LEU | 0 | -0.043 | -0.013 | 15.084 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 688 | LEU | 0 | 0.001 | -0.013 | 13.494 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 689 | ALA | 0 | -0.002 | -0.002 | 17.608 | -0.562 | -0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 690 | ALA | 0 | 0.013 | 0.012 | 21.452 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 691 | PRO | 0 | 0.006 | 0.004 | 24.120 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 692 | LEU | 0 | -0.030 | -0.006 | 26.946 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 693 | TRP | 0 | 0.005 | -0.009 | 29.722 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 694 | ARG | 1 | 0.776 | 0.861 | 33.496 | -8.998 | -8.998 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 695 | MET | 0 | 0.018 | 0.002 | 35.989 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 696 | ASP | -1 | -0.771 | -0.863 | 38.809 | 8.063 | 8.063 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 697 | GLN | 0 | -0.042 | -0.035 | 41.617 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 698 | LEU | 0 | -0.006 | -0.004 | 41.303 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 699 | ARG | 1 | 0.810 | 0.876 | 39.998 | -7.917 | -7.917 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 700 | GLY | 0 | 0.006 | 0.022 | 46.077 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 701 | PRO | 0 | -0.004 | 0.000 | 47.447 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 702 | ALA | 0 | 0.018 | 0.024 | 46.747 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 703 | ASP | -1 | -0.921 | -0.970 | 48.900 | 6.348 | 6.348 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 704 | ASP | -1 | -0.817 | -0.907 | 51.785 | 5.740 | 5.740 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 705 | SER | 0 | -0.116 | -0.060 | 54.420 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 706 | GLY | 0 | 0.039 | 0.035 | 56.085 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 707 | PRO | 0 | -0.055 | -0.039 | 55.915 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 708 | ALA | 0 | -0.002 | -0.007 | 52.647 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 709 | ALA | 0 | 0.045 | 0.023 | 51.925 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 710 | ASP | -1 | -0.859 | -0.932 | 52.510 | 5.876 | 5.876 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 711 | TRP | 0 | -0.035 | -0.021 | 44.523 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 712 | ASP | -1 | -0.814 | -0.909 | 48.044 | 6.709 | 6.709 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 713 | ALA | 0 | 0.014 | 0.003 | 47.742 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 714 | ALA | 0 | -0.066 | -0.036 | 47.548 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 715 | LEU | 0 | 0.005 | 0.002 | 42.480 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 716 | ASP | -1 | -0.811 | -0.901 | 43.267 | 7.319 | 7.319 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 717 | ARG | 1 | 0.900 | 0.971 | 44.098 | -6.566 | -6.566 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 718 | TRP | 0 | 0.032 | 0.008 | 37.174 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 719 | ARG | 1 | 0.841 | 0.894 | 39.509 | -7.435 | -7.435 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 720 | ALA | 0 | -0.015 | -0.003 | 39.272 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 721 | GLU | -1 | -0.930 | -0.952 | 40.295 | 7.604 | 7.604 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 722 | TRP | 0 | -0.024 | -0.021 | 36.182 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 723 | ASN | 0 | -0.006 | 0.007 | 33.758 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 724 | VAL | 0 | 0.004 | 0.027 | 34.718 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 725 | PRO | 0 | 0.011 | 0.014 | 31.928 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 726 | ARG | 1 | 0.738 | 0.814 | 34.999 | -8.305 | -8.305 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 727 | ARG | 1 | 0.821 | 0.912 | 32.881 | -9.712 | -9.712 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 728 | VAL | 0 | 0.026 | 0.011 | 33.061 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 729 | LEU | 0 | -0.002 | -0.002 | 28.841 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 730 | ALA | 0 | 0.016 | 0.010 | 32.519 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 731 | VAL | 0 | -0.041 | -0.033 | 29.942 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 732 | SER | 0 | 0.024 | -0.012 | 33.239 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 733 | MET | 0 | -0.036 | -0.015 | 33.243 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 734 | ASP | -1 | -0.873 | -0.922 | 33.749 | 8.360 | 8.360 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 735 | GLN | 0 | -0.085 | -0.078 | 34.853 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 736 | ARG | 1 | 0.883 | 0.952 | 26.193 | -11.363 | -11.363 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 737 | LEU | 0 | -0.040 | -0.039 | 33.051 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 738 | LEU | 0 | 0.022 | 0.023 | 31.828 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 739 | LEU | 0 | -0.025 | -0.017 | 35.100 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 740 | ASP | -1 | -0.786 | -0.870 | 36.969 | 8.414 | 8.414 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 741 | LEU | 0 | -0.009 | -0.017 | 38.184 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 742 | ASP | -1 | -0.747 | -0.860 | 41.194 | 7.453 | 7.453 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 743 | ASP | -1 | -0.868 | -0.915 | 43.245 | 6.821 | 6.821 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 744 | ALA | 0 | 0.032 | 0.004 | 45.095 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 745 | TRP | 0 | -0.035 | -0.033 | 46.864 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 746 | HIS | 0 | 0.041 | 0.013 | 39.809 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 747 | ARG | 1 | 0.839 | 0.918 | 43.636 | -6.781 | -6.781 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 748 | VAL | 0 | -0.052 | -0.026 | 45.266 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 749 | LEU | 0 | -0.039 | -0.014 | 42.128 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 750 | LEU | 0 | 0.022 | 0.016 | 39.917 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 751 | ARG | 1 | 0.772 | 0.898 | 43.248 | -6.255 | -6.255 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 752 | ASP | -1 | -0.914 | -0.967 | 46.501 | 6.693 | 6.693 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 753 | GLU | -1 | -0.748 | -0.839 | 40.417 | 7.687 | 7.687 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 754 | LEU | 0 | 0.018 | 0.013 | 41.047 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 755 | ARG | 1 | 0.853 | 0.943 | 43.298 | -6.496 | -6.496 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 756 | ARG | 1 | 0.702 | 0.848 | 40.662 | -7.788 | -7.788 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 757 | THR | 0 | -0.056 | -0.040 | 38.970 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 758 | PRO | 0 | 0.053 | 0.034 | 41.095 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 759 | GLU | -1 | -0.828 | -0.906 | 36.465 | 8.445 | 8.445 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 760 | LEU | 0 | -0.044 | -0.006 | 36.563 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 761 | ILE | 0 | -0.003 | 0.009 | 30.745 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 762 | ALA | 0 | 0.001 | -0.013 | 33.860 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 763 | GLN | 0 | 0.020 | 0.012 | 27.657 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 764 | GLN | 0 | -0.032 | -0.035 | 27.936 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 765 | VAL | 0 | -0.027 | -0.008 | 27.847 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 766 | ALA | 0 | 0.029 | 0.002 | 23.676 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 767 | GLY | 0 | 0.078 | 0.024 | 24.832 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 768 | ASP | -1 | -0.861 | -0.918 | 25.648 | 9.815 | 9.815 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 769 | GLU | -1 | -0.765 | -0.857 | 26.099 | 10.615 | 10.615 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 770 | GLU | -1 | -0.799 | -0.872 | 22.162 | 14.323 | 14.323 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 771 | GLY | 0 | 0.005 | 0.010 | 26.367 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 772 | TRP | 0 | 0.025 | 0.004 | 20.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 773 | LEU | 0 | -0.063 | -0.016 | 28.048 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 774 | ASP | -1 | -0.827 | -0.936 | 30.533 | 9.886 | 9.886 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 775 | ARG | 1 | 0.812 | 0.878 | 30.672 | -9.083 | -9.083 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 776 | GLY | 0 | -0.068 | -0.054 | 31.858 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 777 | ASP | -1 | -0.886 | -0.892 | 33.864 | 8.417 | 8.417 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 778 | ALA | 0 | -0.032 | -0.015 | 30.100 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 779 | GLY | 0 | 0.048 | 0.039 | 27.743 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 780 | PHE | 0 | -0.047 | -0.023 | 27.172 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 781 | PRO | 0 | 0.038 | 0.023 | 26.773 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 782 | GLY | 0 | -0.001 | -0.004 | 24.070 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 783 | HIS | 0 | -0.004 | -0.005 | 24.465 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 784 | LEU | 0 | -0.069 | -0.025 | 26.442 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 785 | ALA | 0 | 0.002 | 0.005 | 25.078 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 786 | GLU | -1 | -0.810 | -0.886 | 22.674 | 12.270 | 12.270 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 787 | ILE | 0 | 0.015 | 0.018 | 17.390 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 788 | VAL | 0 | -0.026 | -0.018 | 19.125 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 789 | VAL | 0 | 0.042 | 0.007 | 13.115 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 790 | PRO | 0 | -0.002 | 0.000 | 15.241 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 791 | LEU | 0 | -0.026 | -0.004 | 9.233 | 1.171 | 1.171 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 792 | GLU | -1 | -0.795 | -0.892 | 11.048 | 16.912 | 16.912 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 793 | ARG | 1 | 0.788 | 0.877 | 9.951 | -17.613 | -17.613 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 794 | ARG | 1 | 0.756 | 0.840 | 3.216 | -51.822 | -50.094 | 0.822 | -0.953 | -1.597 | 0.004 |
726 | A | 795 | ASP | -1 | -0.859 | -0.910 | 7.866 | 22.144 | 22.144 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 796 | ARG | 1 | 0.842 | 0.893 | 10.065 | -18.772 | -18.772 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 797 | HIS | 0 | -0.074 | -0.041 | 13.213 | -2.575 | -2.575 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 798 | ALA | 0 | 0.013 | 0.015 | 15.672 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 799 | ALA | 0 | 0.044 | 0.022 | 16.026 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 800 | ARG | 1 | 0.732 | 0.841 | 17.967 | -15.565 | -15.565 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 801 | PRO | 0 | 0.049 | 0.026 | 21.749 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 802 | PRO | 0 | 0.005 | 0.012 | 25.065 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 803 | HIS | 0 | -0.074 | -0.051 | 27.785 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 804 | ILE | 0 | -0.031 | -0.010 | 30.719 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 805 | ARG | 1 | 0.873 | 0.919 | 33.056 | -9.234 | -9.234 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 806 | ALA | 0 | -0.003 | 0.010 | 36.958 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 807 | THR | 0 | 0.023 | 0.007 | 38.796 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 808 | VAL | 0 | 0.009 | 0.006 | 42.429 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 809 | SER | 0 | 0.005 | -0.004 | 45.506 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 810 | GLY | 0 | -0.011 | -0.020 | 48.431 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 811 | ARG | 1 | 0.710 | 0.817 | 52.244 | -5.912 | -5.912 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 812 | GLU | -1 | -0.734 | -0.839 | 52.552 | 5.857 | 5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 813 | PRO | 0 | -0.056 | -0.007 | 54.865 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 814 | THR | 0 | 0.038 | 0.010 | 56.887 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 815 | GLY | 0 | 0.016 | -0.010 | 59.377 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 816 | ALA | 0 | -0.007 | -0.005 | 61.903 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 817 | GLY | 0 | -0.004 | 0.013 | 65.312 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 818 | GLY | 0 | 0.006 | -0.005 | 65.694 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 819 | PRO | 0 | -0.036 | -0.018 | 63.437 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 820 | TRP | 0 | 0.060 | 0.018 | 59.862 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 821 | LEU | 0 | -0.001 | 0.006 | 64.327 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 822 | TYR | 0 | -0.005 | -0.017 | 56.202 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 823 | LEU | 0 | 0.019 | 0.010 | 62.371 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 824 | ARG | 1 | 0.875 | 0.925 | 56.789 | -5.622 | -5.622 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 825 | LEU | 0 | 0.037 | 0.011 | 60.468 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 826 | ARG | 1 | 0.749 | 0.835 | 54.883 | -5.728 | -5.728 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 827 | VAL | 0 | 0.028 | 0.008 | 60.662 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 828 | PRO | 0 | 0.032 | 0.023 | 58.013 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 829 | ARG | 1 | 0.811 | 0.875 | 53.843 | -6.028 | -6.028 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 830 | ARG | 1 | 0.957 | 0.962 | 57.085 | -5.495 | -5.495 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 831 | ASN | 0 | 0.008 | 0.014 | 59.292 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 832 | GLN | 0 | -0.029 | -0.005 | 56.304 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 833 | ASP | -1 | -0.752 | -0.852 | 58.757 | 5.609 | 5.609 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 834 | ASP | -1 | -0.774 | -0.845 | 61.735 | 4.960 | 4.960 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 835 | PHE | 0 | 0.047 | 0.022 | 63.782 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 836 | LEU | 0 | -0.019 | -0.017 | 59.780 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 837 | ARG | 1 | 0.786 | 0.872 | 63.446 | -5.157 | -5.157 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 838 | ASP | -1 | -0.802 | -0.862 | 67.106 | 4.581 | 4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 839 | GLN | 0 | -0.001 | 0.008 | 67.942 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 840 | VAL | 0 | 0.027 | 0.015 | 64.172 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 841 | PRO | 0 | 0.059 | 0.017 | 67.599 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 842 | VAL | 0 | -0.066 | -0.015 | 70.272 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 843 | LEU | 0 | 0.019 | 0.017 | 66.941 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 844 | VAL | 0 | -0.013 | -0.001 | 67.446 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 845 | ARG | 1 | 0.888 | 0.933 | 70.093 | -4.456 | -4.456 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 846 | ALA | 0 | 0.079 | 0.053 | 73.236 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 847 | GLY | 0 | 0.021 | -0.012 | 70.899 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 848 | ILE | 0 | -0.034 | -0.015 | 71.337 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 849 | GLU | -1 | -0.971 | -0.976 | 73.747 | 4.108 | 4.108 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 850 | HIS | 0 | -0.059 | -0.034 | 74.610 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 851 | GLY | 0 | -0.035 | -0.021 | 74.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 852 | ALA | 0 | -0.061 | -0.032 | 69.166 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 853 | ASP | -1 | -0.796 | -0.871 | 67.490 | 4.862 | 4.862 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 854 | ARG | 1 | 0.831 | 0.910 | 63.914 | -4.923 | -4.923 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 855 | TRP | 0 | -0.020 | -0.004 | 63.775 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 856 | PHE | 0 | -0.001 | -0.001 | 57.109 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 857 | PHE | 0 | -0.022 | -0.019 | 58.460 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 858 | ILE | 0 | 0.021 | 0.023 | 53.571 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 859 | ARG | 1 | 0.801 | 0.883 | 53.876 | -5.877 | -5.877 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 860 | TYR | 0 | 0.026 | 0.012 | 49.855 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 861 | SER | 0 | 0.009 | -0.009 | 49.124 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 862 | ASP | -1 | -0.747 | -0.841 | 49.713 | 6.194 | 6.194 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 863 | THR | 0 | 0.027 | 0.005 | 48.236 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 864 | ALA | 0 | -0.029 | 0.001 | 50.481 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 865 | GLY | 0 | 0.007 | 0.007 | 52.032 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 866 | GLN | 0 | -0.001 | -0.009 | 50.158 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 867 | HIS | 0 | -0.072 | -0.032 | 53.696 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 868 | LEU | 0 | 0.018 | 0.019 | 56.174 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 869 | ARG | 1 | 0.860 | 0.920 | 53.228 | -6.102 | -6.102 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 870 | VAL | 0 | -0.012 | -0.004 | 58.970 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 871 | ARG | 1 | 0.740 | 0.892 | 59.413 | -5.339 | -5.339 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 872 | PHE | 0 | 0.046 | 0.009 | 62.463 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 873 | ARG | 1 | 0.726 | 0.777 | 62.967 | -4.988 | -4.988 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 874 | GLY | 0 | 0.081 | 0.038 | 66.460 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 875 | GLU | -1 | -0.806 | -0.886 | 69.496 | 4.433 | 4.433 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 876 | ARG | 1 | 0.950 | 0.988 | 67.503 | -4.720 | -4.720 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 877 | GLU | -1 | -0.868 | -0.951 | 71.350 | 4.439 | 4.439 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 878 | LYS | 1 | 0.861 | 0.930 | 74.151 | -4.343 | -4.343 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 879 | LEU | 0 | -0.001 | 0.005 | 67.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 880 | TRP | 0 | -0.019 | -0.019 | 65.498 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 881 | ALA | 0 | -0.025 | -0.007 | 72.253 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 882 | GLY | 0 | 0.008 | 0.019 | 75.496 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 883 | LEU | 0 | -0.002 | 0.012 | 70.324 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 884 | LEU | 0 | -0.032 | -0.007 | 69.092 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 885 | PRO | 0 | -0.025 | -0.016 | 72.179 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 886 | GLU | -1 | -0.849 | -0.911 | 75.478 | 4.283 | 4.283 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 887 | ILE | 0 | 0.001 | -0.015 | 69.002 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 888 | GLY | 0 | 0.005 | 0.004 | 71.503 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 889 | ALA | 0 | -0.011 | -0.003 | 72.526 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 890 | ARG | 1 | 0.819 | 0.873 | 72.549 | -4.295 | -4.295 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 891 | LEU | 0 | 0.006 | -0.001 | 67.186 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 892 | VAL | 0 | 0.014 | 0.011 | 70.426 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 893 | GLU | -1 | -0.867 | -0.898 | 72.698 | 4.280 | 4.280 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 894 | TRP | 0 | 0.025 | -0.014 | 69.028 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 895 | GLN | 0 | -0.053 | -0.019 | 67.117 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 896 | ARG | 1 | 0.907 | 0.949 | 69.862 | -4.243 | -4.243 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 897 | GLN | 0 | -0.026 | -0.003 | 72.291 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 898 | GLY | 0 | -0.001 | 0.011 | 68.726 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 899 | LEU | 0 | -0.048 | -0.015 | 67.095 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 900 | LEU | 0 | -0.049 | -0.033 | 63.953 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 901 | ALA | 0 | 0.028 | 0.015 | 62.161 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 902 | GLY | 0 | 0.023 | 0.006 | 63.963 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 903 | HIS | 0 | -0.021 | -0.010 | 63.285 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 904 | GLU | -1 | -0.740 | -0.823 | 58.837 | 5.580 | 5.580 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 905 | LEU | 0 | 0.015 | 0.015 | 63.028 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 906 | GLY | 0 | -0.037 | -0.024 | 59.304 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 907 | GLN | 0 | -0.047 | -0.035 | 56.890 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 908 | TYR | 0 | -0.061 | -0.058 | 55.694 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 909 | ASP | -1 | -0.897 | -0.951 | 51.490 | 6.179 | 6.179 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 910 | PRO | 0 | -0.026 | -0.005 | 53.083 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 911 | GLU | -1 | -0.721 | -0.816 | 48.591 | 6.689 | 6.689 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 912 | TYR | 0 | -0.032 | -0.078 | 50.236 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 913 | GLU | -1 | -0.882 | -0.935 | 46.316 | 6.751 | 6.751 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 914 | ARG | 1 | 0.757 | 0.865 | 45.705 | -6.788 | -6.788 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 915 | TYR | 0 | -0.088 | -0.073 | 47.576 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 916 | GLY | 0 | 0.040 | 0.015 | 49.760 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 917 | GLY | 0 | -0.004 | 0.002 | 51.039 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 918 | ASP | -1 | -0.801 | -0.892 | 52.430 | 5.786 | 5.786 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 919 | ALA | 0 | -0.037 | -0.016 | 55.735 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 920 | LEU | 0 | 0.015 | 0.013 | 53.503 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 921 | ALA | 0 | 0.040 | 0.040 | 56.775 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 922 | GLU | -1 | -0.774 | -0.853 | 57.640 | 5.149 | 5.149 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 923 | PHE | 0 | -0.006 | 0.019 | 58.035 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 924 | THR | 0 | 0.018 | 0.018 | 54.257 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 925 | GLU | -1 | -0.701 | -0.818 | 56.982 | 5.556 | 5.556 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 926 | THR | 0 | -0.047 | -0.037 | 59.748 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 927 | ALA | 0 | 0.029 | 0.014 | 57.372 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 928 | PHE | 0 | 0.000 | -0.008 | 53.149 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 929 | GLN | 0 | 0.033 | 0.039 | 58.670 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 930 | HIS | 0 | -0.023 | -0.016 | 62.314 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 931 | ASP | -1 | -0.705 | -0.829 | 56.699 | 5.780 | 5.780 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 932 | SER | 0 | -0.028 | -0.025 | 60.009 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 933 | ALA | 0 | -0.005 | -0.009 | 61.381 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 934 | ALA | 0 | 0.052 | 0.046 | 61.361 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 935 | ALA | 0 | -0.005 | 0.002 | 59.351 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 936 | ILE | 0 | -0.005 | -0.009 | 61.253 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 937 | SER | 0 | -0.027 | -0.020 | 64.506 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | A | 938 | LEU | 0 | 0.033 | 0.013 | 60.401 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 939 | LEU | 0 | -0.009 | 0.015 | 59.923 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 940 | ARG | 1 | 0.833 | 0.890 | 63.554 | -4.697 | -4.697 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | A | 941 | LEU | 0 | -0.010 | 0.016 | 65.765 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 942 | THR | 0 | -0.034 | -0.033 | 61.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | A | 943 | ARG | 1 | 0.724 | 0.827 | 64.700 | -4.735 | -4.735 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | A | 944 | ARG | 1 | 0.797 | 0.903 | 67.287 | -4.752 | -4.752 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | A | 945 | ALA | 0 | 0.034 | 0.006 | 68.569 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | A | 946 | GLY | 0 | 0.000 | -0.010 | 68.805 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | A | 947 | PHE | 0 | -0.024 | -0.010 | 62.960 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | A | 948 | ARG | 1 | 0.811 | 0.875 | 65.180 | -4.920 | -4.920 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | A | 949 | TYR | 0 | -0.098 | -0.047 | 60.586 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | A | 950 | THR | 0 | -0.005 | -0.044 | 57.179 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | A | 951 | LEU | 0 | 0.037 | 0.006 | 56.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | A | 952 | ASP | -1 | -0.791 | -0.848 | 52.572 | 6.224 | 6.224 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | A | 953 | GLU | -1 | -0.805 | -0.873 | 54.540 | 5.723 | 5.723 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | A | 954 | VAL | 0 | 0.024 | 0.012 | 56.596 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | A | 955 | THR | 0 | -0.008 | -0.020 | 53.264 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | A | 956 | ALA | 0 | -0.026 | -0.013 | 52.745 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | A | 957 | ILE | 0 | -0.003 | -0.004 | 53.707 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | A | 958 | SER | 0 | 0.046 | 0.019 | 56.643 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | A | 959 | ALA | 0 | 0.003 | 0.002 | 51.397 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | A | 960 | ALA | 0 | 0.030 | -0.003 | 52.904 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | A | 961 | ALA | 0 | -0.019 | 0.003 | 53.811 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | A | 962 | LEU | 0 | -0.006 | 0.007 | 52.381 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | A | 963 | ALA | 0 | -0.029 | -0.022 | 51.147 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | A | 964 | ASP | -1 | -0.955 | -0.981 | 52.801 | 5.667 | 5.667 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | A | 965 | ALA | 0 | -0.005 | 0.000 | 55.709 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | A | 966 | PHE | 0 | 0.020 | 0.018 | 51.489 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | A | 967 | GLY | 0 | 0.048 | 0.036 | 55.162 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | A | 968 | PRO | 0 | 0.011 | -0.002 | 52.417 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | A | 969 | PRO | 0 | -0.002 | -0.011 | 47.735 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | A | 970 | ALA | 0 | 0.021 | 0.027 | 48.568 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | A | 971 | PRO | 0 | -0.012 | -0.003 | 47.720 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | A | 972 | VAL | 0 | -0.026 | -0.018 | 41.560 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | A | 973 | VAL | 0 | -0.018 | -0.009 | 39.823 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | A | 974 | GLU | -1 | -0.872 | -0.940 | 35.381 | 8.736 | 8.736 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | A | 975 | PRO | 0 | -0.061 | -0.020 | 36.628 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | A | 976 | VAL | 0 | 0.005 | 0.002 | 36.456 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | A | 977 | PRO | 0 | 0.005 | 0.001 | 32.063 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | A | 978 | LEU | 0 | -0.016 | 0.007 | 34.115 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | A | 979 | VAL | 0 | 0.031 | 0.006 | 32.871 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | A | 980 | GLY | 0 | -0.003 | 0.011 | 32.791 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | A | 981 | GLY | 0 | 0.009 | -0.006 | 32.411 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | A | 982 | LEU | 0 | -0.050 | -0.013 | 33.155 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | A | 983 | GLN | 0 | 0.007 | -0.010 | 32.711 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | A | 984 | TRP | 0 | -0.005 | 0.001 | 36.952 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | A | 985 | ALA | 0 | 0.074 | 0.032 | 40.082 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | A | 986 | PRO | 0 | 0.005 | -0.004 | 42.666 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | A | 987 | ASP | -1 | -0.863 | -0.930 | 45.360 | 6.885 | 6.885 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | A | 988 | LEU | 0 | -0.092 | -0.035 | 41.734 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | A | 989 | PHE | 0 | -0.070 | -0.049 | 43.546 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | A | 990 | ASP | -1 | -0.839 | -0.910 | 48.779 | 5.922 | 5.922 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | A | 991 | GLY | 0 | -0.051 | -0.020 | 51.817 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | A | 992 | ASP | -1 | -0.841 | -0.903 | 51.844 | 6.061 | 6.061 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | A | 993 | PRO | 0 | 0.031 | 0.015 | 51.307 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | A | 994 | ALA | 0 | 0.045 | 0.024 | 50.864 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | A | 995 | ALA | 0 | -0.004 | -0.022 | 48.981 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | A | 996 | ALA | 0 | 0.021 | 0.027 | 46.943 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | A | 997 | TRP | 0 | -0.013 | -0.014 | 46.007 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
929 | A | 998 | MET | 0 | -0.015 | 0.010 | 46.144 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
930 | A | 999 | SER | 0 | -0.043 | -0.043 | 43.092 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
931 | A | 1000 | SER | 0 | -0.069 | -0.036 | 41.632 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
932 | A | 1001 | THR | 0 | -0.004 | -0.008 | 41.436 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
933 | A | 1002 | GLY | 0 | -0.026 | -0.010 | 39.453 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
934 | A | 1003 | GLY | 0 | 0.045 | 0.014 | 37.147 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
935 | A | 1004 | ARG | 1 | 0.820 | 0.881 | 38.196 | -7.569 | -7.569 | 0.000 | 0.000 | 0.000 | 0.000 |
936 | A | 1005 | ARG | 1 | 0.839 | 0.901 | 32.562 | -9.906 | -9.906 | 0.000 | 0.000 | 0.000 | 0.000 |
937 | A | 1006 | GLU | -1 | -0.837 | -0.909 | 36.093 | 9.053 | 9.053 | 0.000 | 0.000 | 0.000 | 0.000 |
938 | A | 1007 | LEU | 0 | -0.007 | 0.020 | 39.188 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
939 | A | 1008 | PRO | 0 | 0.025 | 0.031 | 42.072 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
940 | A | 1009 | PRO | 0 | 0.036 | -0.005 | 42.762 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
941 | A | 1010 | ASP | -1 | -0.842 | -0.926 | 44.869 | 6.624 | 6.624 | 0.000 | 0.000 | 0.000 | 0.000 |
942 | A | 1011 | TYR | 0 | -0.058 | -0.029 | 46.135 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
943 | A | 1012 | ARG | 1 | 0.853 | 0.905 | 38.450 | -8.226 | -8.226 | 0.000 | 0.000 | 0.000 | 0.000 |
944 | A | 1013 | ARG | 1 | 0.876 | 0.935 | 46.149 | -6.444 | -6.444 | 0.000 | 0.000 | 0.000 | 0.000 |
945 | A | 1014 | ASP | -1 | -0.821 | -0.898 | 48.782 | 5.859 | 5.859 | 0.000 | 0.000 | 0.000 | 0.000 |
946 | A | 1015 | PRO | 0 | 0.036 | 0.030 | 48.922 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
947 | A | 1016 | ALA | 0 | -0.005 | -0.004 | 50.981 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
948 | A | 1017 | ARG | 1 | 0.845 | 0.914 | 54.540 | -5.905 | -5.905 | 0.000 | 0.000 | 0.000 | 0.000 |
949 | A | 1018 | TRP | 0 | 0.010 | -0.011 | 51.046 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
950 | A | 1019 | GLN | 0 | -0.012 | -0.003 | 50.526 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
951 | A | 1020 | LYS | 1 | 0.948 | 0.980 | 54.376 | -5.499 | -5.499 | 0.000 | 0.000 | 0.000 | 0.000 |
952 | A | 1021 | LEU | 0 | -0.027 | 0.000 | 56.510 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
953 | A | 1022 | ILE | 0 | -0.020 | -0.015 | 53.216 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
954 | A | 1023 | ASP | -1 | -0.758 | -0.851 | 54.926 | 5.851 | 5.851 | 0.000 | 0.000 | 0.000 | 0.000 |
955 | A | 1024 | PRO | 0 | 0.020 | 0.006 | 55.077 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
956 | A | 1025 | THR | 0 | 0.033 | -0.007 | 54.930 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
957 | A | 1026 | GLY | 0 | -0.045 | -0.003 | 58.063 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
958 | A | 1027 | GLY | 0 | -0.003 | -0.009 | 60.338 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
959 | A | 1028 | TRP | 0 | -0.025 | -0.015 | 56.845 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
960 | A | 1029 | PRO | 0 | 0.007 | -0.002 | 61.519 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
961 | A | 1030 | LEU | 0 | -0.022 | -0.010 | 60.838 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
962 | A | 1031 | LEU | 0 | 0.004 | 0.006 | 60.567 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
963 | A | 1032 | ARG | 1 | 0.954 | 0.961 | 64.557 | -5.049 | -5.049 | 0.000 | 0.000 | 0.000 | 0.000 |
964 | A | 1033 | ALA | 0 | -0.029 | 0.005 | 67.196 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
965 | A | 1034 | ASP | -1 | -0.794 | -0.857 | 66.403 | 4.882 | 4.882 | 0.000 | 0.000 | 0.000 | 0.000 |
966 | A | 1035 | GLU | -1 | -0.843 | -0.909 | 68.942 | 4.460 | 4.460 | 0.000 | 0.000 | 0.000 | 0.000 |
967 | A | 1036 | ASP | -1 | -0.727 | -0.852 | 66.629 | 4.831 | 4.831 | 0.000 | 0.000 | 0.000 | 0.000 |
968 | A | 1037 | GLY | 0 | -0.018 | -0.010 | 64.986 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
969 | A | 1038 | CYS | 0 | -0.020 | -0.007 | 65.797 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
970 | A | 1039 | GLN | 0 | -0.061 | -0.036 | 68.372 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
971 | A | 1040 | VAL | 0 | -0.020 | -0.021 | 61.931 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
972 | A | 1041 | LEU | 0 | -0.012 | -0.010 | 62.376 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
973 | A | 1042 | ALA | 0 | 0.030 | 0.016 | 64.957 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
974 | A | 1043 | ALA | 0 | -0.066 | -0.028 | 65.037 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
975 | A | 1044 | LEU | 0 | -0.017 | -0.006 | 59.835 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
976 | A | 1045 | GLU | -1 | -0.902 | -0.941 | 63.157 | 4.861 | 4.861 | 0.000 | 0.000 | 0.000 | 0.000 |
977 | A | 1046 | SER | 0 | -0.023 | -0.012 | 64.939 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
978 | A | 1047 | ARG | 1 | 0.734 | 0.846 | 56.628 | -5.690 | -5.690 | 0.000 | 0.000 | 0.000 | 0.000 |
979 | A | 1048 | ASP | -1 | -0.800 | -0.906 | 59.904 | 5.528 | 5.528 | 0.000 | 0.000 | 0.000 | 0.000 |
980 | A | 1049 | GLU | -1 | -0.823 | -0.888 | 61.047 | 5.039 | 5.039 | 0.000 | 0.000 | 0.000 | 0.000 |
981 | A | 1050 | ALA | 0 | -0.057 | -0.018 | 61.347 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
982 | A | 1051 | VAL | 0 | 0.003 | -0.002 | 55.759 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
983 | A | 1052 | ARG | 1 | 0.899 | 0.947 | 57.721 | -5.157 | -5.157 | 0.000 | 0.000 | 0.000 | 0.000 |
984 | A | 1053 | ARG | 1 | 0.860 | 0.918 | 59.375 | -4.951 | -4.951 | 0.000 | 0.000 | 0.000 | 0.000 |
985 | A | 1054 | PHE | 0 | -0.005 | -0.002 | 53.676 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
986 | A | 1055 | GLY | 0 | 0.048 | 0.016 | 54.774 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
987 | A | 1056 | THR | 0 | -0.068 | -0.026 | 55.397 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
988 | A | 1057 | ALA | 0 | 0.051 | 0.032 | 57.557 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
989 | A | 1058 | TYR | 0 | -0.030 | -0.024 | 48.200 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
990 | A | 1059 | ARG | 1 | 0.798 | 0.874 | 53.480 | -5.763 | -5.763 | 0.000 | 0.000 | 0.000 | 0.000 |
991 | A | 1060 | GLU | -1 | -0.914 | -0.975 | 54.624 | 5.487 | 5.487 | 0.000 | 0.000 | 0.000 | 0.000 |
992 | A | 1061 | ALA | 0 | -0.055 | -0.016 | 54.162 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
993 | A | 1062 | PHE | 0 | -0.027 | -0.008 | 48.858 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
994 | A | 1063 | ARG | 1 | 0.929 | 0.963 | 48.990 | -6.210 | -6.210 | 0.000 | 0.000 | 0.000 | 0.000 |
995 | A | 1064 | PRO | 0 | -0.026 | -0.017 | 47.267 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
996 | A | 1065 | THR | 0 | -0.023 | -0.004 | 44.681 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
997 | A | 1066 | ASP | -1 | -0.851 | -0.919 | 43.877 | 6.783 | 6.783 | 0.000 | 0.000 | 0.000 | 0.000 |
998 | A | 1067 | SER | 0 | 0.013 | 0.004 | 40.201 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
999 | A | 1068 | PRO | 0 | 0.085 | 0.048 | 39.429 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
1000 | A | 1069 | SER | 0 | -0.019 | -0.024 | 38.044 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
1001 | A | 1070 | THR | 0 | -0.045 | -0.020 | 41.009 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
1002 | A | 1071 | GLN | 0 | 0.068 | 0.028 | 44.458 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
1003 | A | 1072 | LEU | 0 | 0.032 | 0.012 | 40.264 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
1004 | A | 1073 | ARG | 1 | 0.946 | 0.979 | 41.328 | -7.588 | -7.588 | 0.000 | 0.000 | 0.000 | 0.000 |
1005 | A | 1074 | LEU | 0 | 0.015 | 0.046 | 44.101 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
1006 | A | 1075 | VAL | 0 | 0.026 | 0.006 | 47.835 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
1007 | A | 1076 | GLY | 0 | 0.017 | 0.014 | 45.045 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1008 | A | 1077 | SER | 0 | -0.027 | -0.030 | 46.098 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
1009 | A | 1078 | LEU | 0 | -0.022 | 0.001 | 47.746 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
1010 | A | 1079 | LEU | 0 | 0.002 | 0.004 | 48.094 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
1011 | A | 1080 | HIS | 0 | -0.047 | -0.028 | 46.654 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
1012 | A | 1081 | MET | 0 | -0.007 | -0.008 | 48.731 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
1013 | A | 1082 | THR | 0 | -0.011 | -0.007 | 52.050 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
1014 | A | 1083 | CYS | 0 | -0.082 | -0.039 | 49.966 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
1015 | A | 1084 | ASN | 0 | -0.014 | -0.021 | 50.726 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
1016 | A | 1085 | ARG | 1 | 0.854 | 0.913 | 52.358 | -5.872 | -5.872 | 0.000 | 0.000 | 0.000 | 0.000 |
1017 | A | 1086 | LEU | 0 | -0.008 | 0.010 | 55.680 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
1018 | A | 1087 | ILE | 0 | -0.025 | -0.002 | 50.797 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
1019 | A | 1088 | GLY | 0 | 0.102 | 0.058 | 50.512 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
1020 | A | 1089 | GLY | 0 | -0.039 | -0.026 | 49.776 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1021 | A | 1090 | SER | 0 | 0.013 | 0.001 | 46.554 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
1022 | A | 1091 | ALA | 0 | 0.101 | 0.047 | 42.622 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
1023 | A | 1092 | GLU | -1 | -0.946 | -0.972 | 42.217 | 7.727 | 7.727 | 0.000 | 0.000 | 0.000 | 0.000 |
1024 | A | 1093 | ARG | 1 | 0.842 | 0.891 | 43.761 | -6.234 | -6.234 | 0.000 | 0.000 | 0.000 | 0.000 |
1025 | A | 1094 | GLU | -1 | -0.836 | -0.907 | 46.102 | 6.895 | 6.895 | 0.000 | 0.000 | 0.000 | 0.000 |
1026 | A | 1095 | ARG | 1 | 0.960 | 0.968 | 38.571 | -8.247 | -8.247 | 0.000 | 0.000 | 0.000 | 0.000 |
1027 | A | 1096 | SER | 0 | -0.035 | -0.019 | 44.315 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
1028 | A | 1097 | VAL | 0 | -0.013 | -0.007 | 46.041 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
1029 | A | 1098 | LEU | 0 | 0.045 | 0.010 | 45.990 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
1030 | A | 1099 | GLY | 0 | -0.023 | -0.011 | 45.137 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
1031 | A | 1100 | LEU | 0 | -0.048 | -0.036 | 45.774 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1032 | A | 1101 | ALA | 0 | 0.029 | 0.020 | 49.162 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
1033 | A | 1102 | ARG | 1 | 0.857 | 0.955 | 40.968 | -7.795 | -7.795 | 0.000 | 0.000 | 0.000 | 0.000 |
1034 | A | 1103 | GLY | 0 | 0.013 | -0.007 | 46.304 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
1035 | A | 1104 | ALA | 0 | 0.003 | 0.015 | 47.128 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
1036 | A | 1105 | VAL | 0 | 0.017 | 0.006 | 49.115 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
1037 | A | 1106 | GLN | 0 | 0.044 | 0.025 | 42.854 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
1038 | A | 1107 | ASP | -1 | -0.758 | -0.824 | 47.372 | 6.903 | 6.903 | 0.000 | 0.000 | 0.000 | 0.000 |
1039 | A | 1108 | ASN | 0 | -0.028 | -0.019 | 49.567 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
1040 | A | 1109 | LEU | 0 | 0.014 | 0.027 | 48.333 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
1041 | A | 1110 | ASN | 0 | -0.054 | -0.051 | 45.915 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
1042 | A | 1111 | ARG | 1 | 0.840 | 0.909 | 49.500 | -5.967 | -5.967 | 0.000 | 0.000 | 0.000 | 0.000 |
1043 | A | 1112 | ARG | 1 | 0.780 | 0.862 | 52.563 | -5.919 | -5.919 | 0.000 | 0.000 | 0.000 | 0.000 |
1044 | A | 1113 | ARG | 1 | 0.985 | 0.988 | 50.305 | -6.304 | -6.304 | 0.000 | 0.000 | 0.000 | 0.000 |
1045 | A | 1114 | HIS | 0 | -0.061 | -0.009 | 49.320 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |