FMODB ID: Z612N
Calculation Name: 5Y7O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5Y7O
Chain ID: A
UniProt ID: A0A2D0
Base Structure: X-ray
Registration Date: 2023-06-26
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 | OptH |
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 | 923 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -23833954.461406 |
---|---|
FMO2-HF: Nuclear repulsion | 23477034.831445 |
FMO2-HF: Total energy | -356919.629961 |
FMO2-MP2: Total energy | -357978.425263 |
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:29:ASP)
Summations of interaction energy for
fragment #1(A:29: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. |
273.441 | 282.287 | 3.404 | -6.22 | -6.03 | 0.002 |
Interaction energy analysis for fragmet #1(A:29: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 | 31 | SER | 0 | -0.141 | -0.052 | 3.588 | -3.163 | 1.437 | -0.019 | -2.663 | -1.919 | 0.007 |
4 | A | 32 | VAL | 0 | 0.051 | 0.009 | 6.364 | -1.558 | -1.558 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 33 | ASN | 0 | -0.034 | -0.009 | 9.752 | -1.435 | -1.435 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 34 | VAL | 0 | 0.019 | 0.017 | 13.002 | -0.664 | -0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 35 | ALA | 0 | 0.007 | 0.013 | 16.636 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 36 | LEU | 0 | -0.006 | -0.016 | 19.935 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 37 | GLN | 0 | 0.032 | 0.017 | 23.460 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 38 | ALA | 0 | 0.010 | 0.024 | 26.410 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 39 | SER | 0 | 0.002 | -0.005 | 30.124 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 40 | PHE | 0 | -0.074 | -0.013 | 31.846 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 41 | ASP | -1 | -0.892 | -0.950 | 32.358 | 9.923 | 9.923 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 42 | ALA | 0 | 0.030 | 0.018 | 33.589 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 43 | GLY | 0 | 0.010 | -0.005 | 35.408 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 44 | PRO | 0 | -0.036 | -0.009 | 36.775 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 45 | TYR | 0 | 0.083 | 0.031 | 32.613 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 46 | LEU | 0 | 0.022 | 0.003 | 36.641 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 47 | LEU | 0 | -0.003 | 0.000 | 39.932 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 48 | GLU | -1 | -0.874 | -0.950 | 34.418 | 9.259 | 9.259 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 49 | LEU | 0 | 0.017 | 0.001 | 37.021 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 50 | LEU | 0 | 0.023 | 0.019 | 39.840 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 51 | GLU | -1 | -0.828 | -0.942 | 41.823 | 7.035 | 7.035 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 52 | ALA | 0 | 0.017 | 0.013 | 38.494 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 53 | ALA | 0 | -0.043 | -0.024 | 40.556 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 54 | ALA | 0 | -0.082 | -0.042 | 43.191 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 55 | ALA | 0 | -0.029 | -0.011 | 41.384 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 56 | GLU | -1 | -0.838 | -0.931 | 41.418 | 7.745 | 7.745 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 57 | ASN | 0 | 0.025 | 0.053 | 43.884 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 58 | ALA | 0 | 0.033 | 0.034 | 47.388 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 59 | SER | 0 | -0.084 | -0.064 | 48.985 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 60 | SER | 0 | -0.004 | -0.050 | 47.514 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 61 | TYR | 0 | -0.017 | -0.051 | 47.469 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 62 | PHE | 0 | 0.048 | 0.019 | 49.829 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 63 | PRO | 0 | 0.065 | 0.060 | 51.783 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 64 | LEU | 0 | 0.018 | 0.004 | 45.842 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 65 | LEU | 0 | -0.022 | -0.015 | 49.371 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 66 | ASP | -1 | -0.961 | -0.982 | 51.239 | 5.751 | 5.751 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 67 | ARG | 1 | 0.967 | 0.986 | 51.740 | -6.033 | -6.033 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 68 | ILE | 0 | -0.019 | -0.002 | 47.177 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 69 | ALA | 0 | 0.026 | 0.038 | 50.070 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 70 | GLU | -1 | -0.955 | -0.984 | 52.795 | 5.763 | 5.763 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 71 | GLY | 0 | -0.001 | 0.006 | 48.883 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 72 | VAL | 0 | -0.077 | -0.051 | 47.108 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 73 | LEU | 0 | -0.046 | -0.040 | 41.947 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 74 | ASP | -1 | -0.877 | -0.938 | 43.508 | 6.827 | 6.827 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 75 | ASP | -1 | -0.955 | -0.950 | 42.584 | 7.424 | 7.424 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 76 | ALA | 0 | -0.012 | -0.001 | 38.548 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 77 | VAL | 0 | 0.032 | 0.001 | 38.352 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 78 | THR | 0 | -0.064 | -0.025 | 32.930 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 79 | GLU | -1 | -0.788 | -0.935 | 31.115 | 10.025 | 10.025 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 80 | LYS | 1 | 0.892 | 0.932 | 31.379 | -9.730 | -9.730 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 81 | GLU | -1 | -0.904 | -0.941 | 34.313 | 8.178 | 8.178 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 82 | LEU | 0 | 0.033 | 0.031 | 37.103 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 83 | TYR | 0 | 0.022 | 0.026 | 33.028 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 84 | ASP | -1 | -0.788 | -0.919 | 35.331 | 9.071 | 9.071 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 85 | ARG | 1 | 0.801 | 0.903 | 38.034 | -7.485 | -7.485 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 86 | PHE | 0 | 0.022 | 0.020 | 39.899 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 87 | LEU | 0 | -0.003 | -0.003 | 36.525 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 88 | THR | 0 | -0.119 | -0.076 | 40.620 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 89 | ILE | 0 | 0.028 | 0.022 | 43.031 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 90 | VAL | 0 | 0.034 | 0.025 | 41.972 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 91 | GLN | 0 | -0.111 | -0.054 | 40.704 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 92 | ASP | -1 | -0.955 | -0.972 | 45.304 | 6.574 | 6.574 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 93 | GLU | -1 | -0.931 | -0.970 | 47.578 | 6.266 | 6.266 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 94 | GLY | 0 | -0.021 | -0.019 | 48.140 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 95 | HIS | 0 | -0.094 | -0.064 | 48.870 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 96 | ILE | 0 | 0.033 | 0.019 | 42.113 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 97 | ASN | 0 | -0.040 | -0.010 | 43.975 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 98 | ASP | -1 | -0.697 | -0.811 | 43.808 | 7.376 | 7.376 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 99 | ALA | 0 | -0.065 | -0.024 | 43.616 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 100 | ALA | 0 | 0.022 | 0.005 | 40.251 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 101 | ASP | -1 | -0.835 | -0.917 | 40.234 | 7.436 | 7.436 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 102 | LEU | 0 | 0.079 | 0.095 | 39.989 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 103 | SER | 0 | -0.077 | -0.021 | 35.411 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 104 | SER | 0 | -0.086 | -0.071 | 36.016 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 105 | PHE | 0 | 0.093 | 0.058 | 37.093 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 106 | LYS | 1 | 0.851 | 0.917 | 33.270 | -8.452 | -8.452 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 107 | PHE | 0 | 0.025 | 0.009 | 29.664 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 108 | SER | 0 | 0.001 | -0.053 | 32.697 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 109 | LEU | 0 | 0.070 | 0.029 | 33.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 110 | ALA | 0 | -0.020 | 0.008 | 28.524 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 111 | ILE | 0 | -0.222 | -0.064 | 29.131 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 112 | ARG | 1 | 0.957 | 0.992 | 29.327 | -10.699 | -10.699 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 113 | SER | 0 | -0.030 | 0.005 | 31.977 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 114 | ALA | 0 | 0.019 | 0.014 | 35.615 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 115 | VAL | 0 | 0.002 | 0.006 | 35.150 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 116 | PRO | 0 | -0.012 | 0.005 | 36.450 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 117 | ARG | 1 | 0.927 | 0.977 | 39.240 | -7.101 | -7.101 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 118 | VAL | 0 | -0.006 | 0.000 | 40.395 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 119 | GLU | -1 | -0.838 | -0.911 | 39.124 | 7.899 | 7.899 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 120 | ALA | 0 | -0.011 | -0.001 | 41.267 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 121 | HIS | 0 | -0.003 | 0.010 | 44.482 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 122 | TYR | 0 | 0.029 | 0.007 | 40.711 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 123 | GLN | 0 | -0.025 | -0.028 | 40.393 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 124 | TYR | 0 | 0.014 | 0.051 | 45.294 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 125 | TYR | 0 | 0.063 | 0.015 | 48.210 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 126 | ASN | 0 | 0.034 | 0.006 | 44.113 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 127 | THR | 0 | -0.061 | -0.084 | 46.945 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 128 | SER | 0 | -0.109 | -0.056 | 49.677 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 129 | VAL | 0 | -0.036 | -0.010 | 52.004 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 130 | GLU | -1 | -0.933 | -0.981 | 49.184 | 6.428 | 6.428 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 131 | PRO | 0 | -0.036 | -0.009 | 51.088 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 132 | ARG | 1 | 0.837 | 0.936 | 53.837 | -5.764 | -5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 133 | LEU | 0 | 0.038 | 0.020 | 54.772 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 134 | GLY | 0 | -0.021 | 0.013 | 57.258 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 135 | THR | 0 | -0.036 | -0.025 | 58.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 136 | ALA | 0 | 0.025 | 0.002 | 55.430 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 137 | GLN | 0 | -0.088 | -0.045 | 56.458 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 138 | ASP | -1 | -0.911 | -0.970 | 59.189 | 5.209 | 5.209 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 139 | ALA | 0 | 0.039 | 0.024 | 55.306 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 140 | ALA | 0 | -0.013 | 0.002 | 54.910 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 141 | CYS | 0 | -0.004 | -0.005 | 56.241 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 142 | PRO | 0 | 0.028 | 0.028 | 51.763 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 143 | VAL | 0 | -0.026 | -0.016 | 51.810 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 144 | TRP | 0 | -0.039 | -0.007 | 54.435 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 145 | VAL | 0 | 0.011 | -0.010 | 56.435 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 146 | HIS | 0 | 0.018 | 0.018 | 58.763 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 147 | MET | 0 | -0.012 | -0.031 | 60.279 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 148 | ASP | -1 | -0.967 | -0.966 | 63.884 | 4.773 | 4.773 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 149 | GLY | 0 | 0.051 | 0.002 | 64.814 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 150 | MET | 0 | -0.052 | -0.014 | 61.279 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 151 | GLN | 0 | 0.026 | 0.037 | 60.275 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 152 | TYR | 0 | -0.013 | -0.008 | 62.207 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 154 | SER | 0 | 0.017 | 0.054 | 59.397 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 155 | PRO | 0 | 0.049 | 0.028 | 60.131 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 156 | THR | 0 | -0.061 | -0.032 | 62.420 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 157 | LEU | 0 | 0.001 | 0.016 | 65.133 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 166 | ALA | 0 | -0.003 | -0.015 | 63.086 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 167 | ASP | -1 | -0.947 | -0.975 | 62.688 | 4.918 | 4.918 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 168 | LEU | 0 | -0.087 | -0.030 | 57.002 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 169 | GLU | -1 | -0.844 | -0.939 | 60.769 | 5.273 | 5.273 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 170 | ALA | 0 | -0.054 | -0.027 | 59.703 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 171 | ARG | 1 | 0.973 | 0.999 | 57.712 | -5.545 | -5.545 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 172 | ASP | -1 | -0.943 | -0.989 | 57.216 | 5.543 | 5.543 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 173 | LEU | 0 | -0.072 | -0.029 | 52.378 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 174 | PRO | 0 | -0.005 | -0.015 | 49.471 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 175 | PHE | 0 | -0.008 | -0.007 | 47.464 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 176 | ASP | -1 | -0.754 | -0.833 | 49.356 | 6.087 | 6.087 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 177 | ARG | 1 | 0.854 | 0.913 | 46.420 | -6.776 | -6.776 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 178 | LYS | 1 | 0.949 | 0.985 | 53.626 | -5.669 | -5.669 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 179 | LEU | 0 | 0.040 | 0.018 | 56.774 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 180 | GLY | 0 | 0.032 | 0.019 | 58.841 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 181 | ASP | -1 | -0.953 | -0.977 | 61.687 | 4.998 | 4.998 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 182 | PRO | 0 | -0.033 | -0.022 | 61.849 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 183 | THR | 0 | 0.006 | 0.007 | 63.821 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 184 | ALA | 0 | -0.030 | -0.030 | 66.104 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 185 | PRO | 0 | -0.022 | 0.038 | 66.774 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 186 | LEU | 0 | 0.037 | -0.003 | 59.136 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 187 | ALA | 0 | -0.025 | -0.003 | 61.254 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 188 | ILE | 0 | -0.025 | -0.005 | 55.650 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 189 | LEU | 0 | -0.013 | -0.003 | 54.031 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 190 | TYR | 0 | 0.072 | 0.038 | 51.878 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 191 | ALA | 0 | 0.029 | -0.043 | 51.296 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 192 | ASP | -1 | -0.887 | -0.933 | 44.868 | 7.283 | 7.283 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 193 | VAL | 0 | -0.046 | -0.019 | 45.498 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 194 | ALA | 0 | 0.009 | 0.012 | 43.172 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 195 | SER | 0 | -0.008 | 0.014 | 45.252 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 196 | PRO | 0 | 0.072 | 0.035 | 47.233 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 197 | ALA | 0 | -0.090 | -0.048 | 50.082 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 198 | PHE | 0 | 0.012 | -0.009 | 50.740 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 199 | GLY | 0 | 0.067 | 0.024 | 52.438 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 200 | GLU | -1 | -0.892 | -0.937 | 53.699 | 5.718 | 5.718 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 201 | TYR | 0 | -0.192 | -0.146 | 55.722 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 202 | HIS | 0 | 0.119 | 0.061 | 54.883 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 203 | ARG | 1 | 0.867 | 0.928 | 55.153 | -5.874 | -5.874 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 204 | LYS | 1 | 0.926 | 0.921 | 58.751 | -5.189 | -5.189 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 205 | LEU | 0 | 0.051 | 0.025 | 59.698 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 206 | SER | 0 | -0.056 | -0.011 | 58.631 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 207 | ALA | 0 | -0.026 | -0.046 | 60.617 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 208 | MET | 0 | -0.036 | -0.022 | 63.918 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 209 | ALA | 0 | 0.048 | -0.009 | 63.013 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 210 | LYN | 0 | -0.124 | 0.010 | 60.890 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 211 | GLU | -1 | -0.988 | -0.962 | 65.331 | 4.541 | 4.541 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 212 | GLY | 0 | -0.005 | 0.016 | 67.887 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 213 | GLN | 0 | -0.047 | -0.033 | 67.669 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 214 | VAL | 0 | 0.010 | -0.033 | 64.028 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 215 | SER | 0 | -0.042 | -0.001 | 62.308 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 216 | TYR | 0 | 0.021 | -0.020 | 55.656 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 217 | VAL | 0 | 0.029 | 0.021 | 54.411 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 218 | VAL | 0 | -0.027 | -0.010 | 50.958 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 219 | ARG | 1 | 0.778 | 0.872 | 50.444 | -5.843 | -5.843 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 220 | TYR | 0 | 0.008 | 0.023 | 45.068 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 221 | ARG | 1 | 0.839 | 0.927 | 48.058 | -6.380 | -6.380 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 222 | PRO | 0 | -0.006 | 0.019 | 44.091 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 223 | PRO | 0 | -0.006 | 0.003 | 41.190 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 224 | PRO | 0 | 0.040 | 0.023 | 42.539 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 225 | SER | 0 | 0.057 | 0.027 | 39.825 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 226 | ALA | 0 | -0.023 | -0.008 | 37.842 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 227 | SER | 0 | -0.025 | -0.050 | 37.308 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 228 | PHE | 0 | 0.013 | 0.025 | 35.791 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 229 | ARG | 1 | 0.817 | 0.902 | 31.574 | -8.955 | -8.955 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 230 | PRO | 0 | 0.012 | 0.012 | 27.668 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 231 | LEU | 0 | 0.031 | 0.025 | 29.802 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 232 | PHE | 0 | -0.006 | -0.002 | 22.883 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 233 | LEU | 0 | 0.010 | 0.015 | 26.065 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 234 | ALA | 0 | 0.026 | -0.012 | 25.268 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 235 | GLY | 0 | -0.059 | -0.034 | 26.322 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 236 | TYR | 0 | -0.010 | -0.010 | 20.944 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 237 | GLY | 0 | -0.007 | -0.017 | 22.095 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 238 | VAL | 0 | 0.007 | 0.004 | 16.661 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 239 | GLU | -1 | -0.958 | -0.992 | 18.255 | 14.273 | 14.273 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 240 | LEU | 0 | 0.041 | 0.008 | 12.306 | 0.669 | 0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 241 | THR | 0 | 0.000 | 0.005 | 16.083 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 242 | LEU | 0 | -0.002 | 0.001 | 15.489 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 243 | LYS | 1 | 0.913 | 0.984 | 17.145 | -15.488 | -15.488 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 244 | ARG | 1 | 0.899 | 0.934 | 17.431 | -15.795 | -15.795 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 245 | THR | 0 | -0.020 | -0.028 | 15.143 | 0.979 | 0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 246 | ASP | -1 | -0.780 | -0.886 | 16.809 | 16.729 | 16.729 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 247 | TYR | 0 | -0.145 | -0.086 | 17.240 | -0.672 | -0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 248 | ILE | 0 | -0.031 | -0.026 | 18.983 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 249 | MET | 0 | 0.025 | 0.020 | 22.612 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 250 | ILE | 0 | -0.042 | -0.018 | 25.878 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 283 | ASP | -1 | -0.933 | -0.971 | 7.138 | 34.012 | 34.012 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 284 | LEU | 0 | -0.009 | 0.014 | 8.356 | 1.605 | 1.605 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 285 | LYS | 1 | 0.866 | 0.905 | 10.655 | -19.273 | -19.273 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 286 | PRO | 0 | -0.007 | 0.034 | 12.803 | -1.079 | -1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 287 | LEU | 0 | 0.010 | 0.013 | 15.385 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 288 | SER | 0 | 0.010 | -0.022 | 19.149 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 289 | SER | 0 | 0.013 | 0.043 | 22.447 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 290 | SER | 0 | 0.028 | -0.029 | 26.198 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 291 | GLU | -1 | -0.933 | -0.970 | 27.146 | 11.265 | 11.265 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 292 | VAL | 0 | 0.035 | -0.002 | 26.364 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 293 | ALA | 0 | -0.001 | -0.004 | 28.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 294 | ARG | 1 | 0.864 | 0.937 | 28.097 | -10.839 | -10.839 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 295 | LEU | 0 | 0.031 | 0.033 | 23.502 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 296 | GLY | 0 | 0.009 | 0.011 | 27.048 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 297 | MET | 0 | -0.003 | -0.011 | 29.152 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 298 | ASN | 0 | 0.031 | -0.016 | 28.084 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 299 | ALA | 0 | 0.017 | 0.018 | 25.813 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 300 | ALA | 0 | 0.042 | 0.012 | 26.802 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 301 | SER | 0 | 0.014 | 0.024 | 29.318 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 302 | PHE | 0 | 0.030 | 0.026 | 22.261 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 303 | ILE | 0 | -0.052 | -0.027 | 25.158 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 304 | LEU | 0 | -0.046 | -0.026 | 27.057 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 305 | ASP | -1 | -0.711 | -0.748 | 29.175 | 10.033 | 10.033 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 306 | SER | 0 | -0.106 | -0.033 | 25.372 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 307 | PRO | 0 | -0.011 | -0.021 | 26.148 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 308 | ASP | -1 | -0.899 | -0.945 | 25.944 | 11.634 | 11.634 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 309 | PRO | 0 | 0.043 | 0.040 | 25.899 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 310 | PHE | 0 | 0.088 | 0.029 | 25.926 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 311 | ALA | 0 | 0.022 | -0.012 | 22.428 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 312 | THR | 0 | 0.003 | -0.017 | 21.734 | 1.070 | 1.070 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 313 | LEU | 0 | 0.013 | 0.004 | 21.733 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 314 | THR | 0 | -0.043 | -0.025 | 20.013 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 315 | LYS | 1 | 0.857 | 0.943 | 16.709 | -15.422 | -15.422 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 316 | LEU | 0 | 0.011 | 0.010 | 17.436 | 0.894 | 0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 317 | SER | 0 | -0.006 | -0.005 | 19.229 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 318 | GLN | 0 | -0.052 | -0.006 | 15.412 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 319 | ASP | -1 | -0.826 | -0.917 | 13.548 | 23.616 | 23.616 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 320 | PHE | 0 | 0.078 | 0.040 | 15.577 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 321 | PRO | 0 | -0.006 | -0.014 | 16.021 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 322 | LYS | 1 | 0.932 | 0.967 | 10.267 | -27.572 | -27.572 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 323 | TYR | 0 | -0.002 | -0.003 | 13.570 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 324 | SER | 0 | 0.027 | 0.074 | 17.297 | -1.017 | -1.017 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 325 | SER | 0 | 0.034 | 0.003 | 18.925 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 326 | ALA | 0 | -0.044 | -0.004 | 18.911 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 327 | VAL | 0 | -0.008 | -0.013 | 20.859 | -0.703 | -0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 328 | ALA | 0 | 0.013 | 0.028 | 23.479 | -0.664 | -0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 329 | ALA | 0 | -0.088 | -0.039 | 25.198 | -0.653 | -0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 330 | TYR | 0 | -0.107 | -0.159 | 26.578 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 331 | ASN | 0 | -0.062 | -0.030 | 28.441 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 332 | VAL | 0 | 0.007 | -0.001 | 31.492 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 333 | THR | 0 | -0.015 | -0.028 | 33.011 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 334 | GLN | 0 | -0.003 | -0.007 | 35.194 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 335 | GLU | -1 | -0.790 | -0.901 | 37.441 | 7.972 | 7.972 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 336 | PHE | 0 | -0.102 | -0.043 | 35.914 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 337 | LEU | 0 | -0.036 | -0.089 | 37.355 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 338 | ASP | -1 | -0.889 | -0.903 | 40.934 | 7.557 | 7.557 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 339 | GLU | -1 | -0.738 | -0.835 | 39.469 | 7.735 | 7.735 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 340 | TYR | 0 | -0.127 | -0.026 | 39.195 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 341 | TYR | 0 | -0.022 | -0.037 | 41.438 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 342 | ALA | 0 | -0.004 | 0.016 | 43.599 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 343 | ASN | 0 | 0.046 | 0.042 | 40.268 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 344 | ARG | 1 | 0.887 | 0.934 | 43.182 | -7.018 | -7.018 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 345 | ALA | 0 | -0.018 | 0.005 | 46.402 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 346 | ALA | 0 | -0.033 | -0.016 | 45.564 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 347 | SER | 0 | 0.049 | 0.018 | 40.780 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 348 | LEU | 0 | 0.034 | 0.045 | 42.237 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 349 | PRO | 0 | -0.087 | -0.056 | 38.713 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 350 | GLY | 0 | -0.004 | -0.003 | 38.974 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 351 | GLY | 0 | 0.051 | -0.003 | 34.997 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 352 | ARG | 1 | 0.856 | 0.942 | 34.632 | -7.898 | -7.898 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 353 | ASN | 0 | -0.001 | 0.012 | 31.009 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 354 | VAL | 0 | 0.002 | -0.001 | 34.289 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 355 | LEU | 0 | 0.029 | 0.010 | 33.990 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 356 | TRP | 0 | -0.037 | -0.024 | 37.341 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 357 | ILE | 0 | 0.068 | 0.026 | 38.296 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 358 | ASN | 0 | 0.059 | 0.024 | 41.160 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 359 | GLY | 0 | -0.034 | -0.002 | 43.081 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 360 | LEU | 0 | 0.029 | 0.011 | 44.085 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 361 | GLN | 0 | -0.063 | -0.036 | 40.674 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 362 | ILE | 0 | 0.025 | 0.025 | 37.531 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 363 | ASP | -1 | -0.832 | -0.921 | 39.084 | 8.152 | 8.152 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 364 | SER | 0 | -0.051 | -0.039 | 34.491 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 365 | ARG | 1 | 0.869 | 0.923 | 34.363 | -7.645 | -7.645 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 366 | GLN | 0 | 0.045 | 0.025 | 35.921 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 367 | VAL | 0 | -0.052 | 0.010 | 31.628 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 368 | ASP | -1 | -0.816 | -0.900 | 31.434 | 9.764 | 9.764 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 369 | ALA | 0 | 0.034 | 0.004 | 30.072 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 370 | TYR | 0 | -0.011 | 0.004 | 30.405 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 371 | SER | 0 | 0.048 | -0.026 | 35.150 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 372 | LEU | 0 | -0.058 | -0.035 | 32.920 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 373 | LEU | 0 | -0.008 | 0.018 | 35.789 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 374 | GLU | -1 | -0.898 | -0.956 | 37.417 | 7.529 | 7.529 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 375 | HIS | 0 | -0.039 | -0.028 | 40.035 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 376 | LEU | 0 | -0.067 | -0.033 | 37.118 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 377 | ARG | 1 | 0.857 | 0.878 | 39.865 | -7.894 | -7.894 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 378 | HIS | 0 | -0.031 | -0.010 | 43.305 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 379 | GLU | -1 | -0.822 | -0.936 | 43.723 | 7.071 | 7.071 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 380 | ARG | 1 | 0.896 | 0.945 | 38.960 | -8.172 | -8.172 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 381 | GLN | 0 | 0.115 | 0.090 | 45.935 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 382 | PHE | 0 | 0.013 | 0.023 | 48.815 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 383 | ILE | 0 | 0.033 | -0.008 | 46.912 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 384 | GLY | 0 | -0.063 | -0.004 | 49.701 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 385 | GLN | 0 | -0.029 | -0.027 | 50.783 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 386 | PHE | 0 | -0.007 | -0.057 | 53.127 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 387 | ARG | 1 | 0.872 | 0.953 | 48.668 | -6.677 | -6.677 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 388 | LYS | 1 | 0.850 | 0.981 | 55.356 | -5.675 | -5.675 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 389 | LEU | 0 | -0.022 | -0.016 | 58.242 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 390 | GLY | 0 | -0.003 | 0.013 | 58.121 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 391 | LEU | 0 | -0.015 | -0.020 | 55.631 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 392 | SER | 0 | -0.008 | 0.006 | 53.367 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 393 | ASN | 0 | -0.062 | -0.076 | 50.009 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 394 | ILE | 0 | 0.072 | 0.049 | 48.812 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 395 | GLU | -1 | -0.899 | -0.968 | 50.136 | 5.768 | 5.768 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 396 | ALA | 0 | 0.055 | 0.026 | 51.953 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 397 | LEU | 0 | 0.012 | 0.003 | 46.262 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 398 | ASP | -1 | -0.979 | -0.979 | 50.470 | 6.249 | 6.249 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 399 | LEU | 0 | 0.018 | 0.015 | 51.690 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 400 | LEU | 0 | -0.057 | -0.012 | 50.134 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 401 | LEU | 0 | 0.078 | -0.004 | 49.103 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 402 | HIS | 0 | -0.054 | 0.004 | 53.682 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 415 | GLN | 0 | -0.013 | -0.020 | 62.220 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 416 | ARG | 1 | 0.777 | 0.892 | 65.895 | -4.760 | -4.760 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 417 | TYR | 0 | 0.022 | 0.025 | 68.054 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 418 | ASP | -1 | -0.844 | -0.962 | 72.348 | 4.148 | 4.148 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 419 | TRP | 0 | 0.036 | 0.021 | 73.889 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 420 | ARG | 1 | 0.873 | 0.967 | 76.946 | -4.082 | -4.082 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 421 | ASP | -1 | -0.794 | -0.916 | 80.579 | 3.875 | 3.875 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 422 | GLU | -1 | -0.995 | -1.001 | 83.079 | 3.845 | 3.845 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 423 | VAL | 0 | -0.057 | -0.019 | 81.781 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 424 | GLU | -1 | -0.866 | -0.931 | 84.909 | 3.828 | 3.828 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 425 | GLY | 0 | 0.019 | -0.007 | 87.649 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 426 | GLY | 0 | -0.006 | -0.008 | 87.542 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 427 | ASP | -1 | -0.927 | -0.956 | 87.586 | 3.590 | 3.590 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 428 | VAL | 0 | -0.010 | 0.007 | 83.119 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 429 | ILE | 0 | -0.065 | -0.031 | 80.218 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 430 | ILE | 0 | -0.038 | -0.024 | 83.000 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 431 | TRP | 0 | 0.005 | -0.010 | 77.999 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 432 | LEU | 0 | -0.058 | -0.022 | 79.109 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 433 | ASN | 0 | -0.049 | 0.000 | 79.376 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 434 | ASP | -1 | -0.790 | -0.934 | 81.891 | 3.807 | 3.807 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 435 | LEU | 0 | 0.040 | -0.001 | 78.178 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 436 | THR | 0 | -0.057 | -0.015 | 82.411 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 437 | LYS | 1 | 0.893 | 0.945 | 85.334 | -3.702 | -3.702 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 438 | ASP | -1 | -0.867 | -0.914 | 84.608 | 3.777 | 3.777 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 439 | LYS | 1 | 0.977 | 0.976 | 86.440 | -3.603 | -3.603 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 440 | ARG | 1 | 0.891 | 0.927 | 83.184 | -3.791 | -3.791 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 441 | TYR | 0 | 0.025 | 0.042 | 78.667 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 442 | SER | 0 | -0.082 | -0.042 | 83.031 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 443 | ASP | -1 | -0.915 | -0.973 | 85.740 | 3.662 | 3.662 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 444 | PHE | 0 | -0.059 | -0.013 | 80.060 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 445 | PRO | 0 | 0.026 | -0.008 | 82.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 446 | SER | 0 | -0.037 | -0.055 | 81.752 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 447 | ASP | -1 | -0.800 | -0.876 | 80.444 | 3.951 | 3.951 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 448 | ILE | 0 | -0.017 | -0.012 | 77.274 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 449 | ASP | -1 | -0.891 | -0.954 | 75.795 | 4.182 | 4.182 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 450 | ALA | 0 | -0.040 | -0.016 | 75.520 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 451 | LEU | 0 | -0.031 | -0.027 | 72.902 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 452 | LEU | 0 | -0.001 | 0.009 | 70.591 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 453 | GLN | 0 | -0.076 | -0.047 | 67.750 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 454 | PRO | 0 | 0.029 | 0.040 | 66.383 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 455 | THR | 0 | -0.022 | -0.009 | 65.482 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 456 | TYR | 0 | 0.057 | -0.004 | 60.441 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 457 | PRO | 0 | -0.139 | -0.053 | 65.234 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 458 | GLY | 0 | 0.014 | 0.001 | 68.351 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 459 | GLN | 0 | 0.051 | 0.026 | 64.746 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 460 | LEU | 0 | 0.048 | 0.028 | 68.877 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 461 | PRO | 0 | -0.017 | 0.007 | 71.810 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 462 | ALA | 0 | -0.019 | -0.017 | 74.882 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 463 | VAL | 0 | 0.061 | 0.044 | 77.885 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 464 | ARG | 1 | 0.847 | 0.951 | 79.501 | -3.770 | -3.770 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 465 | ARG | 1 | 0.817 | 0.904 | 78.781 | -4.069 | -4.069 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 466 | ASP | -1 | -0.823 | -0.876 | 79.291 | 4.117 | 4.117 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 467 | VAL | 0 | 0.032 | -0.003 | 73.460 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 468 | HIS | 0 | 0.079 | 0.050 | 69.938 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 469 | ASN | 0 | -0.084 | -0.075 | 74.020 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 470 | VAL | 0 | 0.022 | 0.001 | 71.730 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 471 | VAL | 0 | -0.045 | -0.025 | 74.127 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 472 | ILE | 0 | 0.022 | -0.011 | 73.097 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 473 | PRO | 0 | -0.001 | 0.022 | 73.482 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 474 | ILE | 0 | -0.009 | -0.033 | 75.066 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 475 | ASP | -1 | -0.735 | -0.848 | 76.772 | 4.050 | 4.050 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 476 | LEU | 0 | -0.056 | -0.031 | 78.327 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 477 | THR | 0 | -0.065 | -0.039 | 78.760 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 478 | ASN | 0 | -0.028 | 0.008 | 72.523 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 479 | GLU | -1 | -0.923 | -0.972 | 75.191 | 4.252 | 4.252 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 480 | ASP | -1 | -0.868 | -0.943 | 70.864 | 4.556 | 4.556 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 481 | ASP | -1 | -0.814 | -0.916 | 72.917 | 4.394 | 4.394 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 482 | VAL | 0 | 0.008 | -0.002 | 74.639 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 483 | TYR | 0 | -0.016 | 0.003 | 70.120 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 484 | MET | 0 | -0.006 | 0.001 | 69.860 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 485 | VAL | 0 | 0.026 | -0.016 | 73.363 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 486 | VAL | 0 | -0.004 | -0.007 | 76.589 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 487 | GLN | 0 | -0.021 | -0.014 | 73.058 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 488 | HIS | 0 | 0.030 | -0.005 | 70.442 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 489 | ILE | 0 | 0.010 | 0.034 | 72.870 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 490 | GLN | 0 | -0.008 | 0.010 | 75.293 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 491 | THR | 0 | -0.095 | -0.059 | 73.842 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 492 | PHE | 0 | 0.020 | 0.018 | 69.643 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 493 | ILE | 0 | 0.071 | 0.059 | 74.606 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 494 | LYS | 1 | 0.937 | 0.970 | 78.032 | -4.086 | -4.086 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 495 | ARG | 1 | 0.792 | 0.903 | 72.043 | -4.499 | -4.499 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 496 | LEU | 0 | -0.035 | -0.040 | 75.395 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 497 | ILE | 0 | 0.039 | 0.020 | 70.973 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 498 | PRO | 0 | 0.001 | 0.037 | 73.364 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 499 | VAL | 0 | -0.031 | -0.042 | 71.761 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 500 | ARG | 1 | 0.898 | 0.996 | 75.064 | -3.997 | -3.997 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 501 | PHE | 0 | -0.010 | -0.024 | 72.500 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 502 | GLY | 0 | 0.040 | 0.013 | 77.597 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 503 | LEU | 0 | -0.010 | 0.010 | 77.865 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 504 | VAL | 0 | 0.023 | 0.030 | 78.298 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 505 | PRO | 0 | -0.024 | 0.000 | 79.474 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 506 | LEU | 0 | 0.054 | -0.002 | 75.880 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 507 | VAL | 0 | -0.055 | -0.022 | 80.204 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 508 | HIS | 0 | -0.033 | -0.019 | 76.467 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 509 | SER | 0 | 0.022 | 0.014 | 80.628 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 510 | GLU | -1 | -0.974 | -0.982 | 82.784 | 3.653 | 3.653 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 511 | PRO | 0 | 0.053 | 0.008 | 83.895 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 512 | ALA | 0 | 0.017 | 0.017 | 81.426 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 513 | LYS | 1 | 0.988 | 0.997 | 83.363 | -3.744 | -3.744 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 514 | SER | 0 | 0.043 | 0.024 | 86.284 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 515 | GLN | 0 | 0.118 | 0.124 | 84.515 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 516 | ALA | 0 | 0.131 | 0.050 | 84.742 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 517 | LYS | 1 | 0.864 | 0.951 | 86.404 | -3.600 | -3.600 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 518 | ILE | 0 | 0.032 | 0.010 | 89.362 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 519 | ALA | 0 | -0.034 | -0.025 | 86.294 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 520 | ARG | 1 | 0.800 | 0.889 | 86.798 | -3.712 | -3.712 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 521 | TYR | -1 | -0.564 | -0.818 | 89.776 | 3.308 | 3.308 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 522 | LEU | 0 | 0.028 | 0.047 | 90.441 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 523 | GLN | 0 | -0.014 | -0.003 | 88.853 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 524 | MET | 0 | -0.003 | -0.008 | 91.689 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 525 | THR | 0 | -0.075 | -0.055 | 94.512 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 526 | HIS | 0 | -0.060 | -0.018 | 94.942 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 527 | GLY | 0 | 0.021 | -0.051 | 93.566 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 528 | LEU | 0 | 0.122 | 0.017 | 89.190 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 529 | ALA | 0 | 0.007 | 0.015 | 87.996 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 530 | ALA | 0 | -0.041 | -0.036 | 88.333 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 531 | MET | 0 | 0.063 | 0.061 | 84.492 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 532 | MET | 0 | 0.046 | 0.059 | 80.697 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 533 | LYS | 1 | 0.819 | 0.916 | 85.168 | -3.531 | -3.531 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 534 | TYR | 0 | -0.024 | -0.049 | 86.541 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 535 | PHE | 0 | 0.050 | 0.006 | 82.870 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 536 | GLN | 0 | -0.082 | -0.032 | 82.606 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 537 | ARG | 1 | 0.911 | 0.939 | 83.355 | -3.611 | -3.611 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 538 | ALA | 0 | -0.015 | -0.002 | 84.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 539 | LEU | 0 | 0.008 | -0.005 | 77.540 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 540 | GLU | -1 | -0.985 | -0.972 | 80.230 | 3.985 | 3.985 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 541 | LYS | 1 | 0.904 | 0.927 | 81.261 | -3.844 | -3.844 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 542 | ASP | -1 | -0.892 | -0.926 | 83.380 | 3.746 | 3.746 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 543 | LYS | 1 | 0.868 | 0.931 | 79.093 | -3.962 | -3.962 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 544 | LEU | 0 | 0.097 | 0.062 | 80.044 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 545 | ALA | 0 | -0.074 | -0.019 | 81.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 546 | ARG | 1 | 0.945 | 0.948 | 82.759 | -3.765 | -3.765 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 547 | PRO | 0 | -0.001 | 0.002 | 86.251 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 548 | ASP | -1 | -0.863 | -0.922 | 88.613 | 3.541 | 3.541 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 549 | GLN | 0 | -0.008 | -0.062 | 91.528 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 550 | ALA | 0 | 0.004 | 0.011 | 93.792 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 551 | LEU | 0 | 0.026 | 0.013 | 88.191 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 552 | PHE | 0 | -0.048 | -0.008 | 92.718 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 553 | ASP | -1 | -0.842 | -0.934 | 93.951 | 3.300 | 3.300 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 554 | GLU | -1 | -0.976 | -0.982 | 93.938 | 3.446 | 3.446 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 555 | THR | 0 | -0.088 | -0.044 | 90.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 556 | ILE | 0 | 0.064 | 0.077 | 94.153 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 557 | ALA | 0 | -0.006 | 0.012 | 96.949 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 558 | SER | 0 | -0.183 | -0.104 | 93.963 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 559 | ALA | 0 | 0.119 | 0.035 | 95.788 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 560 | ARG | 1 | 0.902 | 0.934 | 90.994 | -3.558 | -3.558 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 561 | VAL | 0 | -0.059 | -0.021 | 89.730 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 562 | LEU | 0 | -0.128 | -0.015 | 92.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 563 | ARG | 1 | 0.848 | 0.853 | 94.355 | -3.355 | -3.355 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 564 | GLY | 0 | 0.043 | 0.002 | 97.527 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 565 | LYS | 1 | 0.961 | 1.056 | 99.024 | -3.203 | -3.203 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 566 | ALA | 0 | 0.042 | 0.028 | 99.191 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 567 | GLN | 0 | -0.044 | -0.010 | 100.263 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 568 | SER | 0 | 0.030 | -0.024 | 99.372 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 569 | PHE | 0 | -0.202 | -0.067 | 99.358 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 570 | GLU | -1 | -0.931 | -0.964 | 99.438 | 3.179 | 3.179 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 571 | GLU | -1 | -0.911 | -0.921 | 97.793 | 3.277 | 3.277 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 572 | ALA | 0 | 0.032 | 0.031 | 95.277 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 573 | LEU | 0 | -0.054 | -0.044 | 95.551 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 574 | SER | 0 | -0.053 | -0.059 | 96.849 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 575 | SER | 0 | 0.103 | 0.009 | 96.985 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 576 | THR | 0 | -0.054 | -0.017 | 97.093 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 577 | THR | 0 | 0.032 | 0.056 | 93.615 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 578 | LEU | 0 | -0.108 | -0.070 | 92.533 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 579 | GLU | -1 | -0.865 | -0.921 | 91.528 | 3.550 | 3.550 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 580 | GLU | -1 | -0.517 | -0.748 | 90.218 | 3.676 | 3.676 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 581 | VAL | 0 | -0.203 | -0.101 | 88.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 582 | MET | 0 | -0.179 | -0.094 | 87.710 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 583 | ASP | -1 | -0.856 | -0.918 | 87.085 | 3.727 | 3.727 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 584 | LYS | 1 | 0.769 | 0.933 | 86.389 | -3.583 | -3.583 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 585 | THR | 0 | -0.017 | -0.048 | 83.871 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 586 | GLY | 0 | 0.001 | 0.005 | 83.018 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 587 | ARG | 1 | 0.926 | 0.951 | 82.420 | -3.820 | -3.820 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 588 | TYR | 0 | 0.037 | -0.001 | 78.286 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 589 | ILE | 0 | 0.021 | 0.009 | 77.717 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 590 | LYS | 1 | 0.919 | 0.957 | 77.590 | -3.896 | -3.896 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 591 | ARG | 1 | 0.800 | 0.933 | 77.975 | -4.069 | -4.069 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 592 | LEU | 0 | -0.028 | -0.043 | 74.481 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 593 | ASP | -1 | -0.944 | -0.938 | 71.867 | 4.564 | 4.564 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 594 | LEU | 0 | 0.014 | 0.000 | 72.965 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 595 | GLY | 0 | -0.008 | -0.010 | 74.870 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 596 | GLY | 0 | -0.013 | -0.015 | 73.691 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 597 | ARG | 1 | 0.916 | 0.944 | 70.106 | -4.566 | -4.566 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 598 | SER | 0 | 0.009 | -0.007 | 68.645 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 599 | PRO | 0 | -0.003 | 0.047 | 69.405 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 600 | PRO | 0 | 0.083 | 0.016 | 67.942 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 601 | VAL | 0 | -0.026 | -0.010 | 68.815 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 602 | LEU | 0 | 0.039 | 0.030 | 69.684 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 603 | ALA | 0 | -0.013 | -0.003 | 68.203 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 604 | ASN | 0 | 0.015 | 0.019 | 69.440 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 605 | GLY | 0 | 0.056 | 0.030 | 70.997 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 606 | VAL | 0 | -0.042 | -0.021 | 64.589 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 607 | LEU | 0 | 0.061 | 0.027 | 66.526 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 608 | LEU | 0 | -0.051 | -0.022 | 64.282 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 609 | GLY | 0 | 0.071 | 0.038 | 64.168 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 610 | ARG | 1 | 0.812 | 0.889 | 64.861 | -4.497 | -4.497 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 611 | GLY | 0 | -0.042 | -0.011 | 64.599 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 612 | ASP | -1 | -0.854 | -0.904 | 59.171 | 5.516 | 5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 613 | ASN | 0 | -0.104 | -0.060 | 58.461 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 614 | PHE | 0 | 0.130 | 0.044 | 61.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 615 | LEU | 0 | 0.034 | 0.019 | 63.804 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 616 | GLN | 0 | 0.003 | -0.015 | 58.580 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 617 | GLU | -1 | -0.834 | -0.923 | 58.828 | 5.465 | 5.465 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 618 | LEU | 0 | -0.024 | 0.018 | 62.188 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 619 | SER | 0 | -0.080 | -0.052 | 64.100 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 620 | MET | 0 | -0.045 | -0.020 | 58.031 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 621 | ARG | 1 | 0.975 | 0.974 | 60.395 | -5.224 | -5.224 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 622 | VAL | 0 | 0.021 | 0.023 | 63.864 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 623 | ALA | 0 | 0.019 | 0.002 | 63.230 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 624 | ILE | 0 | -0.038 | -0.016 | 60.094 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 625 | ASP | -1 | -0.815 | -0.934 | 63.218 | 4.869 | 4.869 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 626 | LEU | 0 | -0.085 | -0.032 | 66.592 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 627 | GLN | 0 | -0.017 | -0.010 | 61.794 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 628 | LEU | 0 | 0.053 | 0.029 | 63.149 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 629 | ILE | 0 | 0.079 | 0.096 | 66.559 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 630 | GLN | 0 | -0.008 | -0.004 | 67.222 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 631 | GLN | 0 | -0.030 | -0.015 | 65.083 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 632 | SER | 0 | -0.044 | -0.035 | 67.587 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 633 | ILE | 0 | 0.006 | -0.003 | 70.724 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 634 | VAL | 0 | -0.135 | -0.058 | 67.806 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 635 | GLN | 0 | -0.065 | -0.010 | 66.683 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 636 | ASP | -1 | -0.918 | -0.992 | 69.973 | 4.581 | 4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 637 | ALA | 0 | -0.023 | 0.030 | 72.792 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 638 | VAL | 0 | -0.082 | -0.018 | 75.092 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 639 | GLU | -1 | -0.890 | -0.953 | 78.124 | 4.010 | 4.010 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 640 | GLU | -1 | -0.874 | -0.975 | 80.639 | 3.955 | 3.955 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 641 | ASP | -1 | -1.010 | -0.987 | 82.501 | 3.715 | 3.715 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 642 | THR | 0 | 0.026 | 0.012 | 80.166 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 643 | TRP | 0 | -0.027 | -0.032 | 79.295 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 644 | LEU | 0 | 0.069 | 0.082 | 75.776 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 645 | PRO | 0 | -0.003 | 0.002 | 75.294 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 646 | SER | 0 | -0.057 | -0.089 | 75.530 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 647 | TYR | 0 | -0.012 | -0.004 | 68.438 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 648 | PHE | 0 | -0.015 | -0.012 | 68.850 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 649 | LEU | 0 | -0.028 | 0.002 | 71.572 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 650 | SER | 0 | -0.083 | -0.084 | 74.145 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 651 | GLN | 0 | -0.044 | -0.015 | 68.543 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 652 | ALA | 0 | 0.008 | -0.019 | 70.838 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 653 | ALA | 0 | -0.051 | -0.013 | 70.123 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 654 | LEU | 0 | 0.001 | -0.003 | 72.268 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 655 | THR | 0 | -0.010 | -0.008 | 74.773 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 656 | ARG | 0 | 0.038 | 0.009 | 73.700 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 657 | ASN | 0 | 0.146 | 0.095 | 70.379 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 658 | GLU | -1 | -0.795 | -0.896 | 67.651 | 4.704 | 4.704 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 659 | LEU | 0 | -0.084 | -0.036 | 66.813 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 660 | ILE | 0 | -0.044 | -0.039 | 66.690 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 661 | MET | 0 | -0.008 | -0.013 | 66.351 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 662 | PRO | 0 | -0.029 | 0.015 | 62.602 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 663 | GLN | 0 | -0.084 | -0.066 | 61.839 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 664 | ASP | -1 | -0.805 | -0.901 | 61.919 | 5.072 | 5.072 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 665 | PRO | 0 | 0.019 | 0.037 | 59.671 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 666 | SER | 0 | 0.037 | 0.026 | 57.244 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 667 | LYS | 1 | 0.836 | 0.888 | 57.756 | -5.162 | -5.162 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 668 | ILE | 0 | 0.004 | -0.006 | 58.795 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 669 | ARG | 1 | 0.888 | 0.947 | 58.883 | -5.072 | -5.072 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 670 | ILE | 0 | 0.018 | 0.019 | 58.326 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 671 | VAL | 0 | -0.023 | -0.013 | 59.147 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 672 | ASN | 0 | 0.087 | 0.005 | 59.533 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 673 | LEU | 0 | -0.093 | -0.028 | 54.619 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 674 | VAL | 0 | 0.049 | 0.016 | 56.361 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 675 | GLN | 0 | -0.061 | -0.005 | 58.974 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 676 | VAL | 0 | -0.056 | -0.022 | 59.586 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 677 | ALA | 0 | -0.005 | -0.019 | 61.960 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 678 | GLU | -1 | -0.941 | -0.973 | 63.771 | 4.744 | 4.744 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 679 | SER | 0 | 0.064 | 0.028 | 66.543 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 680 | HIS | 0 | -0.094 | -0.021 | 63.974 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 681 | ASP | -1 | -0.901 | -0.958 | 68.553 | 4.361 | 4.361 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 682 | LEU | 0 | -0.077 | -0.024 | 71.899 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 683 | THR | 0 | -0.013 | -0.001 | 73.715 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 694 | GLY | 0 | 0.030 | 0.002 | 78.752 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 695 | THR | 0 | -0.060 | -0.026 | 74.953 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 696 | ASN | 0 | 0.056 | 0.058 | 70.517 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 697 | SER | 0 | -0.050 | -0.057 | 72.070 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 698 | LEU | 0 | 0.035 | 0.019 | 68.225 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 699 | LEU | 0 | 0.083 | 0.029 | 69.342 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 700 | MET | 0 | 0.022 | 0.009 | 70.176 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 701 | ALA | 0 | 0.025 | 0.025 | 71.429 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 702 | VAL | 0 | 0.006 | 0.002 | 72.989 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 703 | VAL | 0 | 0.000 | 0.035 | 71.669 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 704 | GLY | 0 | 0.065 | -0.041 | 74.631 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 705 | ASP | -1 | -0.785 | -0.831 | 77.196 | 4.110 | 4.110 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 706 | PHE | 0 | -0.042 | -0.028 | 77.991 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 707 | ASP | -1 | -0.796 | -0.903 | 82.461 | 3.846 | 3.846 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 708 | SER | 0 | -0.043 | -0.065 | 81.726 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 709 | GLU | -1 | -0.909 | -0.962 | 81.111 | 4.015 | 4.015 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 710 | ALA | 0 | -0.019 | -0.025 | 79.380 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 711 | GLY | 0 | 0.009 | 0.026 | 80.355 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 712 | LEU | 0 | -0.027 | -0.038 | 81.732 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 713 | ASN | 0 | 0.044 | 0.035 | 82.647 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 714 | LEU | 0 | 0.076 | 0.079 | 75.843 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 715 | LEU | 0 | 0.007 | 0.025 | 80.175 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 716 | ILE | 0 | -0.035 | -0.030 | 81.558 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 717 | SER | 0 | -0.046 | -0.043 | 80.754 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 718 | ALA | 0 | 0.020 | -0.012 | 78.665 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 719 | LEU | 0 | -0.051 | -0.021 | 79.953 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 720 | LYS | 1 | 0.869 | 0.940 | 82.862 | -3.803 | -3.803 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 721 | PHE | 0 | 0.044 | 0.013 | 75.677 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 722 | ARG | 1 | 0.885 | 0.973 | 80.039 | -4.010 | -4.010 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 723 | LEU | 0 | -0.094 | -0.051 | 81.018 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 724 | ALA | 0 | -0.046 | -0.010 | 81.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 725 | HIS | 1 | 0.871 | 0.946 | 77.760 | -4.158 | -4.158 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 726 | PRO | 0 | -0.002 | 0.006 | 79.320 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 727 | GLU | -1 | -0.990 | -1.013 | 74.767 | 4.350 | 4.350 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 728 | ILE | 0 | -0.042 | -0.019 | 72.672 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 729 | GLU | -1 | -0.936 | -0.942 | 76.405 | 4.087 | 4.087 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 730 | VAL | 0 | -0.010 | -0.019 | 75.823 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 731 | VAL | 0 | 0.005 | -0.011 | 74.567 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 732 | PRO | 0 | -0.056 | -0.040 | 75.090 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 733 | LEU | 0 | 0.015 | 0.010 | 73.141 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 734 | HIS | 0 | 0.066 | 0.048 | 76.333 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 735 | THR | 0 | -0.068 | -0.019 | 73.398 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 736 | SER | 0 | 0.038 | 0.006 | 76.652 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 737 | ASP | -1 | -0.924 | -0.944 | 78.173 | 4.200 | 4.200 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 738 | ASP | -1 | -0.842 | -0.920 | 80.578 | 3.765 | 3.765 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 739 | GLU | -1 | -0.900 | -0.956 | 83.642 | 3.745 | 3.745 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 740 | THR | 0 | -0.149 | -0.104 | 82.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 741 | ASN | 0 | -0.066 | -0.037 | 84.464 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 742 | THR | 0 | -0.046 | 0.010 | 86.419 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 743 | HIS | 0 | -0.037 | -0.022 | 88.065 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 744 | VAL | 0 | -0.059 | -0.040 | 89.272 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 745 | SER | 0 | 0.090 | 0.050 | 85.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 746 | SER | 0 | -0.046 | -0.013 | 86.352 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 747 | GLN | 0 | -0.035 | -0.030 | 88.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 748 | LEU | 0 | -0.016 | -0.015 | 82.294 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 749 | TYR | 0 | -0.005 | -0.071 | 81.070 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 750 | GLN | 0 | -0.073 | -0.029 | 85.467 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 751 | LEU | 0 | -0.013 | 0.023 | 82.785 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 752 | LEU | 0 | -0.047 | 0.100 | 84.088 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 753 | ARG | 1 | 0.949 | 0.998 | 83.532 | -3.822 | -3.822 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 754 | THR | 0 | -0.099 | -0.063 | 86.921 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 755 | GLU | -1 | -1.002 | -0.966 | 86.511 | 3.738 | 3.738 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 756 | ARG | 1 | 0.983 | 0.982 | 86.286 | -3.735 | -3.735 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 757 | VAL | 0 | 0.043 | -0.006 | 86.865 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 758 | ASP | -1 | -0.723 | -0.906 | 81.927 | 4.027 | 4.027 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 759 | ALA | 0 | 0.106 | -0.009 | 82.383 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 760 | SER | 0 | 0.142 | 0.058 | 84.334 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 761 | GLU | -1 | -1.018 | -1.025 | 86.591 | 3.722 | 3.722 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 762 | ILE | 0 | -0.044 | -0.020 | 88.464 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 763 | LEU | 0 | 0.030 | 0.007 | 85.812 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 764 | GLU | -1 | -0.833 | -0.917 | 86.649 | 3.769 | 3.769 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 765 | LYS | 1 | 0.832 | 0.908 | 88.452 | -3.642 | -3.642 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 766 | ILE | 0 | -0.053 | -0.012 | 90.800 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 767 | GLN | 0 | 0.069 | 0.011 | 86.994 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 768 | ILE | 0 | 0.007 | 0.002 | 89.936 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 769 | ILE | 0 | -0.093 | -0.039 | 91.916 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 770 | LYS | 1 | 0.904 | 0.955 | 91.371 | -3.506 | -3.506 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 771 | SER | 0 | 0.004 | 0.012 | 90.877 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 772 | THR | 0 | -0.030 | 0.004 | 91.896 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 773 | SER | 0 | -0.060 | -0.024 | 92.295 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 784 | LEU | 0 | -0.034 | -0.021 | 83.741 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 785 | ALA | 0 | 0.000 | -0.036 | 78.960 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 786 | TYR | 0 | 0.034 | 0.023 | 78.506 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 787 | TRP | 0 | 0.093 | 0.035 | 77.172 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 788 | ALA | 0 | -0.064 | 0.000 | 75.665 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 789 | GLN | 0 | 0.080 | 0.025 | 72.146 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 790 | THR | 0 | 0.032 | -0.001 | 72.112 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 791 | LYS | 1 | 1.057 | 1.020 | 72.258 | -4.383 | -4.383 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 792 | GLN | 0 | -0.007 | 0.008 | 69.377 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 793 | LEU | 0 | 0.063 | 0.036 | 67.383 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 794 | ALA | 0 | -0.057 | -0.018 | 68.821 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 795 | ALA | 0 | -0.083 | -0.050 | 67.831 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 796 | ASP | -1 | -0.896 | -0.948 | 63.664 | 5.108 | 5.108 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 797 | LEU | 0 | -0.139 | -0.050 | 63.329 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 798 | GLY | 0 | -0.085 | -0.045 | 64.540 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 799 | TYR | 0 | 0.046 | 0.011 | 65.389 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 800 | PRO | 0 | 0.117 | 0.094 | 66.485 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 801 | SER | 0 | -0.062 | 0.009 | 69.300 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 802 | GLY | 0 | 0.074 | 0.050 | 72.537 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 803 | THR | 0 | -0.111 | -0.172 | 70.100 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 804 | ARG | 1 | 0.809 | 0.951 | 72.231 | -4.367 | -4.367 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 805 | GLY | 0 | 0.123 | 0.053 | 71.607 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 806 | VAL | 0 | -0.024 | -0.004 | 71.620 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 807 | LEU | 0 | -0.026 | 0.007 | 66.462 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 808 | LEU | 0 | -0.015 | -0.018 | 67.927 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 809 | ASN | 0 | 0.019 | 0.019 | 66.766 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 810 | GLY | 0 | 0.039 | 0.019 | 63.145 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 811 | ARG | 1 | 0.801 | 0.912 | 62.992 | -4.936 | -4.936 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 812 | ALA | 0 | 0.003 | -0.026 | 63.854 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 813 | VAL | 0 | -0.034 | 0.016 | 65.530 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 814 | GLY | 0 | -0.065 | -0.070 | 66.192 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 815 | PRO | 0 | 0.006 | 0.009 | 68.367 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 816 | VAL | 0 | -0.021 | -0.030 | 70.403 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 817 | PRO | 0 | -0.041 | 0.046 | 72.932 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 818 | SER | 0 | 0.009 | -0.020 | 75.448 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 819 | THR | 0 | 0.045 | 0.006 | 77.970 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 820 | SER | 0 | -0.018 | -0.034 | 80.253 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 821 | THR | 0 | 0.020 | 0.004 | 75.306 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 822 | LEU | 0 | -0.023 | 0.010 | 73.269 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 823 | ALA | 0 | -0.003 | 0.001 | 76.407 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 824 | GLU | -1 | -0.872 | -0.962 | 77.781 | 3.989 | 3.989 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 825 | ASP | -1 | -0.911 | -0.939 | 78.318 | 4.165 | 4.165 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 826 | ASP | -1 | -0.824 | -0.921 | 74.360 | 4.357 | 4.357 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 827 | LEU | 0 | -0.013 | 0.000 | 73.800 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 828 | GLU | -1 | -0.920 | -0.981 | 73.613 | 4.328 | 4.328 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 829 | ILE | 0 | -0.025 | 0.006 | 71.369 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 830 | LEU | 0 | -0.082 | -0.038 | 68.421 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 831 | LEU | 0 | 0.053 | 0.007 | 69.266 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 832 | ALA | 0 | 0.139 | 0.082 | 69.433 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 833 | TYR | 0 | -0.047 | -0.027 | 65.773 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 834 | GLU | -1 | -0.819 | -0.891 | 64.692 | 5.129 | 5.129 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 835 | PHE | 0 | -0.029 | -0.035 | 65.503 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 836 | SER | 0 | -0.068 | -0.011 | 63.010 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 837 | LYS | 1 | 0.871 | 0.941 | 58.101 | -5.533 | -5.533 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 838 | ARG | 1 | 0.904 | 0.956 | 59.783 | -5.206 | -5.206 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 839 | LEU | 0 | 0.032 | 0.019 | 61.613 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 840 | GLY | 0 | 0.046 | 0.012 | 63.971 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 841 | THR | 0 | -0.047 | -0.035 | 61.300 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 842 | VAL | 0 | 0.015 | 0.029 | 60.726 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 843 | ALA | 0 | 0.024 | 0.007 | 62.664 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 844 | LYS | 1 | 0.868 | 0.921 | 65.220 | -4.770 | -4.770 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 845 | VAL | 0 | 0.022 | 0.008 | 59.432 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 846 | MET | 0 | -0.103 | -0.055 | 60.910 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 847 | LYN | 0 | 0.107 | 0.108 | 60.657 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 848 | ASP | -1 | -0.964 | -0.961 | 60.921 | 5.165 | 5.165 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 849 | LEU | 0 | 0.002 | 0.003 | 56.211 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 850 | ASN | 0 | -0.088 | -0.072 | 60.005 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 851 | LEU | 0 | 0.017 | 0.009 | 62.455 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 852 | GLY | 0 | 0.011 | 0.012 | 64.134 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 853 | HIS | 0 | 0.010 | -0.016 | 64.866 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 854 | LYS | 1 | 0.856 | 0.936 | 58.967 | -5.538 | -5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 855 | VAL | 0 | -0.016 | -0.015 | 61.893 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 856 | ALA | 0 | -0.047 | -0.014 | 64.983 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 857 | GLY | 0 | -0.020 | -0.035 | 68.654 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 858 | SER | 0 | 0.066 | 0.039 | 68.788 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 859 | VAL | 0 | 0.045 | 0.016 | 67.745 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 860 | GLU | -1 | -0.838 | -0.924 | 64.626 | 5.029 | 5.029 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 861 | PHE | 0 | 0.006 | 0.003 | 63.991 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 862 | ALA | 0 | 0.033 | 0.013 | 64.500 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 863 | LYS | 1 | 0.911 | 0.958 | 61.636 | -5.083 | -5.083 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 864 | LEU | 0 | -0.017 | 0.002 | 58.391 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 865 | THR | 0 | 0.033 | 0.009 | 59.524 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 866 | SER | 0 | -0.010 | -0.016 | 59.574 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 867 | LEU | 0 | -0.006 | 0.009 | 55.402 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 868 | VAL | 0 | 0.050 | 0.022 | 55.185 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 869 | ALA | 0 | -0.086 | -0.036 | 55.721 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 870 | LEU | 0 | -0.020 | -0.009 | 53.161 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 871 | SER | 0 | -0.056 | -0.007 | 49.295 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 890 | SER | 0 | 0.038 | 0.009 | 48.944 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 891 | ALA | 0 | -0.005 | -0.016 | 45.703 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 892 | ILE | 0 | 0.015 | 0.031 | 47.418 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 893 | LYS | 1 | 0.834 | 0.908 | 47.486 | -6.482 | -6.482 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 894 | THR | 0 | 0.004 | 0.004 | 42.591 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 895 | TRP | 0 | 0.040 | -0.011 | 44.144 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 896 | ASN | 0 | -0.028 | -0.016 | 42.570 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 897 | GLY | 0 | 0.003 | -0.004 | 39.880 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 898 | ALA | 0 | 0.025 | 0.031 | 39.092 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 899 | HIS | 0 | -0.022 | -0.006 | 37.122 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 900 | SER | 0 | -0.043 | -0.074 | 35.587 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 901 | ALA | 0 | -0.038 | -0.033 | 34.773 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 902 | ILE | 0 | -0.009 | 0.020 | 29.305 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 903 | THR | 0 | -0.035 | -0.031 | 32.485 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 904 | VAL | 0 | -0.006 | -0.010 | 30.433 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 905 | SER | 0 | -0.052 | 0.000 | 33.424 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 906 | HIS | 0 | 0.015 | 0.025 | 36.717 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 907 | SER | 0 | -0.054 | -0.045 | 40.302 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 908 | ASP | -1 | -0.908 | -0.958 | 42.615 | 7.403 | 7.403 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 909 | ASP | -1 | -0.948 | -0.968 | 45.530 | 6.863 | 6.863 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 910 | ALA | 0 | 0.054 | 0.061 | 41.419 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 911 | SER | 0 | -0.053 | -0.016 | 43.279 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 912 | ILE | 0 | -0.050 | -0.061 | 39.391 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 913 | ASN | 0 | 0.025 | -0.029 | 41.215 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 914 | ILE | 0 | 0.037 | 0.036 | 35.320 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 915 | VAL | 0 | -0.078 | -0.023 | 37.730 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 916 | ALA | 0 | 0.040 | 0.004 | 33.993 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 917 | THR | 0 | -0.021 | -0.002 | 34.955 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 918 | ILE | 0 | -0.037 | -0.022 | 28.271 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 919 | ASP | -1 | -0.819 | -0.910 | 29.931 | 10.669 | 10.669 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 920 | PRO | 0 | -0.027 | -0.024 | 26.761 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 921 | ALA | 0 | -0.009 | -0.003 | 25.156 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 922 | SER | 0 | -0.053 | -0.012 | 26.227 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 923 | GLU | -1 | -0.804 | -0.937 | 23.590 | 13.034 | 13.034 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 924 | ARG | 1 | 0.911 | 0.964 | 25.379 | -9.755 | -9.755 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 925 | SER | 0 | 0.039 | 0.022 | 25.936 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 926 | GLN | 0 | -0.008 | -0.029 | 19.631 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 927 | ARG | 1 | 0.851 | 0.938 | 23.407 | -11.004 | -11.004 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 928 | TRP | 0 | -0.030 | -0.003 | 25.514 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 929 | VAL | 0 | 0.047 | 0.012 | 23.739 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 930 | PRO | 0 | -0.004 | 0.009 | 22.305 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 931 | ILE | 0 | 0.044 | 0.039 | 24.703 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 932 | LEU | 0 | 0.049 | 0.044 | 28.058 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 933 | ARG | 1 | 1.007 | 1.005 | 23.629 | -13.711 | -13.711 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 934 | THR | 0 | -0.047 | -0.041 | 26.711 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 935 | LEU | 0 | 0.012 | -0.020 | 28.663 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 936 | SER | 0 | -0.056 | -0.023 | 30.180 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 937 | LYS | 1 | 0.830 | 0.926 | 26.419 | -11.935 | -11.935 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 938 | LEU | 0 | 0.000 | 0.010 | 31.279 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 939 | ASN | 0 | -0.031 | -0.021 | 34.110 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 940 | GLY | 0 | 0.056 | 0.020 | 37.114 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 941 | VAL | 0 | -0.015 | -0.015 | 35.624 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 942 | ASN | 0 | 0.033 | 0.062 | 36.328 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 943 | VAL | 0 | 0.072 | 0.019 | 32.105 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 944 | LYS | 1 | 0.906 | 0.962 | 34.671 | -7.998 | -7.998 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 945 | ILE | 0 | 0.002 | 0.004 | 29.520 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 946 | PHE | 0 | 0.011 | -0.005 | 33.516 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 947 | LEU | 0 | 0.038 | 0.032 | 29.329 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 948 | THR | 0 | -0.068 | -0.063 | 32.442 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 949 | PRO | 0 | 0.072 | 0.071 | 30.749 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 950 | VAL | 0 | -0.029 | -0.019 | 31.870 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 951 | ARG | 1 | 0.883 | 0.944 | 33.813 | -8.532 | -8.532 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 952 | ILE | 0 | 0.023 | 0.003 | 34.726 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 953 | LEU | 0 | -0.053 | 0.015 | 28.530 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 954 | GLN | 0 | -0.004 | -0.003 | 31.932 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 955 | GLU | -1 | -0.941 | -0.977 | 28.978 | 10.237 | 10.237 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 956 | LEU | 0 | -0.031 | -0.016 | 22.073 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 957 | PRO | 0 | -0.029 | 0.008 | 25.282 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 958 | ILE | 0 | -0.029 | -0.009 | 19.982 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 959 | LYS | 1 | 0.980 | 1.007 | 20.478 | -11.758 | -11.758 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 960 | ARG | 1 | 0.913 | 0.941 | 17.882 | -13.753 | -13.753 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 961 | PHE | 0 | -0.038 | -0.015 | 13.212 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 962 | TYR | 0 | -0.007 | -0.011 | 16.288 | -0.665 | -0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 963 | ARG | 1 | 0.872 | 0.911 | 11.776 | -22.977 | -22.977 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 964 | HIS | 0 | 0.048 | 0.024 | 18.136 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 965 | VAL | 0 | 0.042 | 0.048 | 20.180 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 966 | LEU | 0 | -0.051 | -0.042 | 22.407 | -0.784 | -0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 967 | GLU | -1 | -0.866 | -0.915 | 22.469 | 14.424 | 14.424 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 968 | PRO | 0 | -0.029 | -0.046 | 26.185 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 969 | GLU | -1 | -0.919 | -0.967 | 28.637 | 9.504 | 9.504 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 970 | PRO | 0 | -0.026 | 0.016 | 28.098 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 971 | SER | 0 | -0.057 | -0.047 | 24.412 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 972 | PHE | 0 | -0.004 | -0.021 | 26.198 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 973 | ASP | -1 | -0.986 | -0.970 | 21.571 | 14.967 | 14.967 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 974 | GLU | -1 | -0.815 | -0.907 | 22.669 | 12.913 | 12.913 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 975 | HIS | 0 | -0.115 | -0.060 | 24.452 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 976 | GLY | 0 | -0.038 | -0.046 | 26.055 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 977 | ALA | 0 | -0.043 | -0.029 | 27.082 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 978 | LEU | 0 | 0.054 | 0.056 | 27.054 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 979 | ASN | 0 | 0.002 | 0.016 | 22.941 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 980 | ARG | 1 | 0.929 | 0.970 | 18.180 | -15.698 | -15.698 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 981 | PRO | 0 | 0.021 | 0.007 | 21.459 | 0.845 | 0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 982 | GLY | 0 | -0.003 | -0.010 | 18.835 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 983 | ALA | 0 | -0.045 | -0.017 | 16.198 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 984 | SER | 0 | 0.024 | -0.008 | 11.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 985 | PHE | 0 | -0.052 | -0.027 | 10.297 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 986 | SER | 0 | 0.006 | -0.010 | 6.402 | 2.406 | 2.406 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 987 | ARG | 1 | 0.903 | 0.948 | 4.484 | -40.635 | -40.346 | -0.001 | -0.022 | -0.266 | 0.000 |
869 | A | 988 | LEU | 0 | 0.005 | 0.011 | 5.391 | -6.740 | -6.740 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 989 | PRO | 0 | -0.014 | -0.001 | 6.176 | 3.500 | 3.500 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 990 | GLU | -1 | -0.853 | -0.916 | 4.190 | 46.271 | 46.534 | 0.000 | -0.022 | -0.241 | 0.000 |
872 | A | 991 | ASP | -1 | -0.896 | -0.956 | 8.776 | 23.098 | 23.098 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 992 | ALA | 0 | -0.202 | -0.151 | 11.757 | -2.501 | -2.501 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | A | 993 | LEU | 0 | -0.047 | -0.024 | 13.090 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | A | 994 | LEU | 0 | 0.010 | 0.019 | 10.907 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | A | 995 | THR | 0 | 0.001 | -0.022 | 14.727 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | A | 996 | LEU | 0 | -0.031 | 0.002 | 14.628 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | A | 997 | GLY | 0 | 0.078 | 0.047 | 17.271 | -0.693 | -0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | A | 998 | MET | 0 | -0.050 | -0.023 | 20.165 | 0.901 | 0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | A | 999 | ASP | -1 | -0.874 | -0.935 | 22.751 | 11.742 | 11.742 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | A | 1000 | VAL | 0 | 0.038 | 0.015 | 25.088 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | A | 1001 | PRO | 0 | -0.019 | -0.003 | 28.031 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | A | 1002 | PRO | 0 | 0.032 | 0.005 | 31.713 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | A | 1003 | SER | 0 | -0.031 | -0.018 | 34.067 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | A | 1004 | TRP | 0 | 0.023 | 0.011 | 27.863 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | A | 1005 | LEU | 0 | 0.037 | 0.029 | 31.204 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | A | 1006 | VAL | 0 | 0.000 | -0.011 | 25.253 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | A | 1007 | SER | 0 | 0.005 | 0.028 | 26.333 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | A | 1008 | PRO | 0 | -0.001 | 0.008 | 21.243 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | A | 1009 | LYS | 1 | 1.007 | 1.000 | 21.934 | -12.316 | -12.316 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | A | 1010 | GLU | -1 | -0.956 | -0.974 | 21.217 | 12.401 | 12.401 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | A | 1011 | SER | 0 | -0.032 | -0.025 | 17.090 | 0.758 | 0.758 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | A | 1012 | VAL | 0 | -0.050 | -0.030 | 14.900 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | A | 1013 | HIS | 0 | 0.014 | 0.007 | 11.763 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | A | 1014 | ASP | -1 | -0.839 | -0.922 | 15.615 | 14.145 | 14.145 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | A | 1015 | LEU | 0 | 0.031 | -0.004 | 15.436 | 0.926 | 0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | A | 1016 | ASP | -1 | -0.870 | -0.918 | 17.142 | 14.230 | 14.230 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | A | 1017 | ASN | 0 | -0.153 | -0.063 | 16.734 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | A | 1018 | ILE | 0 | 0.066 | 0.043 | 10.535 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | A | 1019 | ARG | 1 | 0.855 | 0.932 | 10.821 | -19.656 | -19.656 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | A | 1020 | LEU | 0 | 0.054 | 0.011 | 4.721 | -1.904 | -1.845 | -0.001 | -0.001 | -0.056 | 0.000 |
902 | A | 1021 | SER | 0 | 0.026 | 0.033 | 6.436 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | A | 1022 | SER | 0 | -0.072 | -0.040 | 8.043 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | A | 1023 | LEU | 0 | 0.078 | 0.050 | 6.257 | -1.773 | -1.773 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | A | 1024 | ARG | 1 | 0.877 | 0.937 | 7.214 | -24.077 | -24.077 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | A | 1025 | GLU | -1 | -0.818 | -0.915 | 2.596 | 55.825 | 58.735 | 1.363 | -1.895 | -2.378 | -0.018 |
907 | A | 1026 | GLY | 0 | -0.064 | 0.003 | 1.995 | -6.562 | -5.951 | 2.053 | -1.672 | -0.992 | 0.013 |
908 | A | 1027 | SER | 0 | -0.118 | -0.076 | 3.757 | -3.983 | -3.869 | 0.009 | 0.055 | -0.178 | 0.000 |
909 | A | 1028 | ASP | -1 | -0.798 | -0.916 | 5.293 | 34.863 | 34.863 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | A | 1029 | VAL | 0 | -0.039 | -0.016 | 7.652 | -2.812 | -2.812 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | A | 1030 | ASP | -1 | -0.912 | -0.944 | 10.801 | 23.994 | 23.994 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | A | 1031 | ALA | 0 | -0.021 | -0.006 | 13.651 | -1.345 | -1.345 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | A | 1032 | ILE | 0 | -0.034 | -0.036 | 16.383 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | A | 1033 | TYR | 0 | 0.005 | -0.007 | 19.012 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | A | 1034 | GLU | -1 | -0.938 | -0.983 | 22.714 | 10.914 | 10.914 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | A | 1035 | LEU | 0 | -0.023 | -0.019 | 26.319 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | A | 1036 | GLU | -1 | -0.923 | -0.962 | 29.338 | 9.741 | 9.741 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | A | 1037 | HIS | 0 | -0.038 | 0.002 | 31.866 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | A | 1038 | ILE | 0 | -0.006 | -0.030 | 33.671 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | A | 1039 | LEU | 0 | 0.001 | -0.011 | 35.691 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | A | 1040 | ILE | 0 | -0.024 | 0.002 | 38.513 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | A | 1041 | GLU | -1 | -0.943 | -0.965 | 42.070 | 7.348 | 7.348 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | A | 1042 | GLY | 0 | -0.040 | -0.018 | 44.094 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |