FMODB ID: N13NQ
Calculation Name: 4IN3-B-Xray322
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4IN3
Chain ID: B
UniProt ID: Q05029
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 616 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -14062510.383298 |
---|---|
FMO2-HF: Nuclear repulsion | 13818590.235824 |
FMO2-HF: Total energy | -243920.147474 |
FMO2-MP2: Total energy | -244632.223737 |
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(B:1:ACE )
Summations of interaction energy for
fragment #1(B:1:ACE )
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. |
-4.26 | -1.026 | 0.958 | -2.24 | -1.953 | -0.019 |
Interaction energy analysis for fragmet #1(B:1:ACE )
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 | B | 3 | SER | 0 | 0.043 | 0.020 | 3.590 | 0.828 | 2.068 | -0.001 | -0.622 | -0.617 | -0.001 |
4 | B | 4 | GLN | 0 | -0.031 | 0.023 | 5.256 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 5 | THR | 0 | 0.065 | -0.001 | 3.443 | -0.060 | 0.051 | 0.008 | -0.070 | -0.049 | 0.000 |
6 | B | 6 | SER | 0 | -0.055 | -0.049 | 6.296 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 7 | ILE | 0 | 0.025 | 0.009 | 8.502 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | PRO | 0 | -0.025 | 0.002 | 10.880 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | GLU | -1 | -0.939 | -0.986 | 14.169 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | VAL | 0 | -0.025 | -0.010 | 17.336 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 11 | LYS | 1 | 0.850 | 0.941 | 20.958 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | GLU | -1 | -0.934 | -0.989 | 22.940 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | ASP | -1 | -0.989 | -0.991 | 25.450 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | VAL | 0 | 0.000 | 0.000 | 28.948 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | ILE | 0 | 0.028 | 0.005 | 26.185 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | GLY | 0 | -0.001 | 0.007 | 27.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | TYR | 0 | 0.007 | 0.007 | 28.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | ALA | 0 | 0.025 | 0.005 | 25.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | LEU | 0 | 0.060 | 0.011 | 26.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | HIS | 0 | 0.000 | 0.016 | 29.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | GLN | 0 | 0.058 | 0.026 | 30.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | ARG | 1 | 0.869 | 0.957 | 26.866 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | ARG | 1 | 0.917 | 0.939 | 31.227 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | ALA | 0 | -0.024 | 0.000 | 34.348 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | ARG | 1 | 0.871 | 0.914 | 32.518 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 26 | VAL | 0 | 0.039 | 0.041 | 33.687 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 27 | GLY | 0 | -0.027 | -0.006 | 35.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 28 | GLN | 0 | -0.111 | -0.056 | 36.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | PHE | 0 | 0.028 | 0.024 | 31.164 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | GLN | 0 | -0.044 | -0.032 | 35.166 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | ASP | -1 | -0.851 | -0.924 | 32.367 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | LEU | 0 | -0.031 | -0.016 | 29.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | GLY | 0 | 0.004 | 0.033 | 29.707 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | PRO | 0 | -0.047 | -0.027 | 27.295 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | PRO | 0 | 0.019 | 0.012 | 21.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | ASP | -1 | -0.877 | -0.958 | 21.062 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | LEU | 0 | -0.065 | -0.016 | 20.874 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | ILE | 0 | 0.000 | -0.004 | 16.965 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | THR | 0 | -0.071 | -0.041 | 19.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | NME | 0 | 0.028 | 0.071 | 19.796 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 90 | ACE | 0 | 0.109 | 0.015 | 19.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 91 | PHE | 0 | -0.041 | -0.023 | 19.550 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 92 | PHE | 0 | 0.015 | 0.028 | 14.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 93 | TYR | 0 | 0.031 | 0.007 | 18.365 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 94 | CYS | 0 | -0.016 | 0.012 | 15.914 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 95 | MET | 0 | -0.039 | -0.011 | 16.793 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 96 | GLY | 0 | 0.085 | 0.034 | 16.584 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 97 | ILE | 0 | 0.009 | 0.044 | 16.588 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 98 | ASP | -1 | -0.811 | -0.907 | 18.299 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 99 | THR | 0 | 0.006 | -0.019 | 20.663 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 100 | SER | 0 | -0.083 | -0.039 | 23.784 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 101 | ASP | -1 | -0.804 | -0.876 | 24.926 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 102 | PRO | 0 | -0.015 | 0.010 | 24.400 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 103 | THR | 0 | -0.040 | -0.062 | 24.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 104 | SER | 0 | 0.046 | 0.068 | 21.262 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 105 | ILE | 0 | 0.059 | 0.030 | 19.781 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 106 | THR | 0 | -0.144 | -0.109 | 19.944 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 107 | ILE | 0 | 0.009 | 0.002 | 17.016 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 108 | PHE | 0 | 0.049 | 0.022 | 14.094 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 109 | ALA | 0 | 0.033 | 0.007 | 15.200 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 110 | LYS | 1 | 0.800 | 0.897 | 16.610 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 111 | LYS | 1 | 0.949 | 0.968 | 11.782 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 112 | ILE | 0 | 0.024 | 0.012 | 11.979 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 113 | THR | 0 | -0.095 | -0.061 | 12.850 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 114 | ASP | -1 | -0.869 | -0.907 | 12.991 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 115 | LEU | 0 | -0.104 | -0.049 | 7.557 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 116 | PHE | 0 | -0.019 | -0.005 | 10.538 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 117 | NME | 0 | -0.007 | 0.018 | 12.212 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 134 | ACE | 0 | -0.034 | -0.031 | 23.162 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 135 | ILE | 0 | 0.079 | 0.002 | 18.559 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 136 | SER | 0 | -0.109 | -0.058 | 21.780 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 137 | ILE | 0 | 0.044 | 0.053 | 19.920 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 138 | SER | 0 | -0.041 | -0.037 | 23.029 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 139 | SER | 0 | 0.050 | 0.035 | 24.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 140 | TRP | 0 | 0.053 | 0.014 | 26.112 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 141 | ASN | 0 | 0.025 | 0.012 | 28.795 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 142 | ALA | 0 | 0.025 | 0.012 | 31.505 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 143 | PHE | 0 | -0.037 | -0.016 | 32.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 144 | ARG | 1 | 0.848 | 0.909 | 35.912 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 145 | LYS | 1 | 0.961 | 0.998 | 35.634 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 146 | TYR | 0 | -0.006 | 0.008 | 33.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 147 | ASP | -1 | -0.783 | -0.909 | 29.799 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 148 | VAL | 0 | -0.006 | -0.002 | 28.398 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 149 | ASN | 0 | -0.093 | -0.035 | 27.709 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 150 | ILE | 0 | 0.018 | 0.002 | 24.247 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 151 | ILE | 0 | -0.008 | 0.007 | 25.179 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 152 | VAL | 0 | 0.020 | 0.009 | 22.567 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 153 | HIS | 0 | 0.032 | 0.006 | 23.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 154 | ILE | 0 | 0.016 | 0.010 | 25.527 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 155 | PRO | 0 | -0.034 | -0.006 | 27.399 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 156 | GLY | 0 | -0.008 | 0.002 | 29.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 157 | THR | 0 | -0.059 | -0.031 | 29.205 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 158 | VAL | 0 | 0.034 | 0.008 | 27.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 159 | GLN | 0 | 0.029 | 0.002 | 29.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 160 | THR | 0 | 0.002 | 0.000 | 28.660 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 161 | TYR | 0 | -0.067 | -0.032 | 30.607 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 162 | ILE | 0 | 0.000 | 0.003 | 32.127 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 163 | ILE | 0 | 0.000 | 0.010 | 33.366 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 164 | ASN | 0 | 0.050 | 0.026 | 35.480 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 165 | SER | 0 | 0.067 | 0.006 | 38.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 166 | ASP | -1 | -0.972 | -0.974 | 39.344 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 167 | GLY | 0 | 0.006 | 0.003 | 38.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 168 | GLU | -1 | -0.992 | -0.993 | 38.883 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 169 | GLN | 0 | -0.037 | -0.017 | 35.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 170 | SER | 0 | -0.012 | -0.001 | 37.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 171 | GLN | 0 | -0.006 | -0.011 | 34.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 172 | LEU | 0 | 0.023 | 0.006 | 32.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 173 | PRO | 0 | -0.080 | -0.026 | 35.822 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 174 | NME | 0 | 0.030 | 0.020 | 32.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 186 | ACE | 0 | 0.010 | -0.002 | 40.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 187 | LEU | 0 | 0.026 | -0.007 | 38.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 188 | ASN | 0 | -0.008 | -0.009 | 37.784 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 189 | VAL | 0 | 0.055 | 0.045 | 33.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 190 | ASN | 0 | 0.044 | 0.004 | 33.177 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 191 | MET | 0 | 0.018 | 0.014 | 33.201 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 192 | ILE | 0 | -0.002 | 0.016 | 32.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 193 | TRP | 0 | 0.047 | 0.009 | 27.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 194 | ALA | 0 | 0.031 | 0.023 | 29.231 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 195 | GLU | -1 | -0.896 | -0.952 | 30.597 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 196 | THR | 0 | -0.020 | -0.032 | 28.107 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 197 | PHE | 0 | 0.047 | 0.040 | 23.774 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 198 | MET | 0 | -0.050 | 0.000 | 26.549 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 199 | SER | 0 | -0.071 | -0.039 | 28.736 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 200 | GLY | 0 | 0.049 | 0.020 | 25.088 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 201 | ILE | 0 | 0.027 | 0.023 | 23.022 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 202 | VAL | 0 | -0.024 | -0.025 | 25.083 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 203 | ARG | 1 | 0.840 | 0.900 | 24.852 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 204 | ASP | -1 | -0.801 | -0.917 | 20.960 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 205 | ILE | 0 | -0.037 | -0.007 | 22.346 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 206 | MET | 0 | -0.013 | -0.019 | 24.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 207 | ILE | 0 | -0.027 | 0.007 | 22.262 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 208 | MET | 0 | -0.029 | 0.005 | 20.598 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 209 | LYS | 1 | 0.865 | 0.941 | 23.820 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 210 | ASP | -1 | -0.850 | -0.934 | 27.321 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 211 | ASN | 0 | -0.113 | -0.075 | 25.532 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 212 | ARG | 1 | 0.980 | 1.003 | 26.326 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 213 | ALA | 0 | -0.068 | -0.041 | 27.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 214 | ASP | -1 | -0.944 | -0.961 | 27.853 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 215 | GLY | 0 | -0.055 | -0.033 | 24.836 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 216 | GLU | -1 | -0.801 | -0.926 | 20.904 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 217 | SER | 0 | -0.108 | -0.036 | 21.650 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 218 | GLN | 0 | 0.069 | 0.026 | 19.068 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 219 | ASN | 0 | -0.031 | -0.013 | 22.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 220 | LEU | 0 | -0.051 | -0.018 | 21.408 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 221 | VAL | 0 | 0.039 | 0.020 | 17.789 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 222 | GLU | -1 | -0.805 | -0.908 | 17.407 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 223 | THR | 0 | -0.045 | -0.020 | 17.128 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 224 | LEU | 0 | 0.061 | 0.052 | 10.950 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 225 | ILE | 0 | -0.042 | -0.041 | 13.610 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 226 | PHE | 0 | 0.059 | 0.039 | 10.745 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 227 | ASN | 0 | 0.042 | 0.003 | 13.784 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 228 | PRO | 0 | 0.029 | 0.029 | 15.798 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 229 | PHE | 0 | -0.073 | -0.050 | 18.648 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 230 | THR | 0 | -0.025 | -0.039 | 14.367 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 231 | SER | 0 | -0.078 | -0.070 | 15.750 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 232 | GLY | 0 | 0.039 | 0.037 | 16.759 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 233 | GLU | -1 | -0.910 | -0.956 | 17.145 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 234 | LEU | 0 | -0.121 | -0.065 | 20.207 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 235 | GLU | -1 | -0.887 | -0.956 | 22.799 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 236 | ASP | -1 | -0.937 | -0.952 | 22.660 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 237 | VAL | 0 | 0.105 | 0.043 | 20.564 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 238 | ALA | 0 | 0.032 | 0.016 | 23.659 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 239 | ASN | 0 | 0.019 | -0.003 | 25.982 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 240 | ASN | 0 | 0.035 | 0.031 | 26.484 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 241 | PHE | 0 | 0.013 | 0.002 | 27.289 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 242 | ILE | 0 | -0.021 | -0.021 | 29.184 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 243 | LYS | 1 | 0.896 | 0.929 | 31.532 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 244 | LEU | 0 | -0.020 | -0.010 | 29.867 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 245 | PHE | 0 | 0.002 | -0.002 | 33.109 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 246 | PRO | 0 | -0.003 | -0.020 | 34.588 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 247 | LEU | 0 | -0.029 | -0.008 | 35.760 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 248 | VAL | 0 | -0.022 | -0.018 | 33.494 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 249 | TYR | 0 | 0.042 | 0.035 | 36.860 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 250 | GLU | -1 | -0.958 | -0.985 | 38.687 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 251 | LYS | 1 | 0.866 | 0.936 | 38.144 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 252 | GLY | 0 | 0.047 | 0.013 | 37.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 253 | VAL | 0 | 0.013 | 0.003 | 37.935 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 254 | TYR | 0 | -0.063 | -0.024 | 38.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 255 | LEU | 0 | -0.044 | -0.014 | 32.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 256 | ASP | -1 | -0.844 | -0.912 | 35.627 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 257 | ALA | 0 | -0.038 | -0.038 | 36.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 258 | PRO | 0 | 0.069 | 0.033 | 34.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 259 | THR | 0 | -0.012 | 0.009 | 35.412 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 260 | HIS | 0 | -0.029 | -0.011 | 35.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 261 | VAL | 0 | -0.022 | -0.006 | 38.624 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 262 | LEU | 0 | -0.028 | -0.026 | 41.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 263 | ASN | 0 | -0.085 | -0.047 | 44.282 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 264 | PRO | 0 | 0.005 | 0.015 | 41.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 265 | SER | 0 | -0.029 | -0.026 | 42.074 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 266 | LEU | 0 | 0.022 | 0.026 | 41.632 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 267 | THR | 0 | -0.014 | 0.008 | 40.937 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 268 | ASN | 0 | -0.016 | -0.017 | 39.581 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 269 | ASN | 0 | -0.017 | -0.033 | 37.100 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 270 | TYR | 0 | 0.047 | 0.009 | 32.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 271 | LEU | 0 | -0.006 | 0.030 | 32.321 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 272 | VAL | 0 | 0.001 | 0.003 | 32.971 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 273 | GLU | -1 | -0.866 | -0.906 | 32.551 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 274 | THR | 0 | 0.026 | -0.007 | 27.658 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 275 | LEU | 0 | -0.004 | 0.002 | 29.317 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 276 | VAL | 0 | -0.026 | -0.015 | 30.951 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 277 | GLU | -1 | -0.817 | -0.880 | 26.998 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 278 | ILE | 0 | 0.051 | 0.023 | 25.659 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 279 | VAL | 0 | -0.027 | 0.022 | 27.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 280 | ARG | 1 | 0.777 | 0.886 | 26.714 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 281 | LEU | 0 | -0.059 | -0.035 | 22.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 282 | THR | 0 | -0.002 | -0.050 | 24.145 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 283 | LYS | 1 | 0.963 | 0.998 | 26.156 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 284 | SER | 0 | 0.069 | 0.052 | 28.485 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 285 | LEU | 0 | 0.011 | -0.013 | 30.369 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 286 | GLU | -1 | -0.956 | -0.980 | 33.633 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 287 | ALA | 0 | 0.003 | 0.010 | 32.814 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 288 | CYS | 0 | 0.054 | 0.021 | 33.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 289 | ARG | 1 | 0.967 | 0.992 | 35.567 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 290 | LYS | 1 | 0.926 | 0.962 | 37.807 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 291 | MET | 0 | -0.064 | -0.012 | 35.402 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 292 | LEU | 0 | 0.084 | 0.023 | 37.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 293 | LYS | 1 | 0.939 | 0.956 | 40.441 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 294 | LYS | 1 | 0.896 | 0.960 | 39.583 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 295 | LEU | 0 | -0.008 | 0.003 | 39.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 296 | ILE | 0 | 0.004 | 0.001 | 43.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 297 | GLU | -1 | -0.954 | -0.969 | 46.099 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 298 | ILE | 0 | -0.064 | -0.018 | 45.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 299 | HIS | 1 | 0.834 | 0.918 | 44.621 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 300 | PRO | 0 | 0.089 | 0.047 | 46.263 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 301 | GLU | -1 | -0.816 | -0.919 | 45.526 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 302 | ALA | 0 | -0.027 | -0.009 | 41.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 303 | VAL | 0 | 0.012 | -0.001 | 42.689 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 304 | ILE | 0 | 0.003 | 0.000 | 42.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 305 | ILE | 0 | 0.004 | -0.002 | 37.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 306 | LEU | 0 | -0.027 | -0.010 | 38.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 307 | ILE | 0 | 0.001 | 0.008 | 40.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 308 | ARG | 1 | 0.807 | 0.874 | 35.812 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 309 | VAL | 0 | 0.033 | 0.007 | 34.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 310 | TYR | 0 | -0.024 | -0.015 | 36.165 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 311 | PHE | 0 | 0.014 | 0.012 | 37.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 312 | ALA | 0 | -0.009 | 0.015 | 32.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 313 | CYS | 0 | -0.118 | -0.065 | 33.342 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 314 | ASP | -1 | -0.888 | -0.934 | 34.870 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 315 | LEU | 0 | -0.063 | -0.023 | 37.091 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 316 | GLU | -1 | -0.926 | -0.993 | 40.312 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 317 | ILE | 0 | 0.011 | 0.003 | 42.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 318 | ASP | -1 | -0.865 | -0.927 | 43.243 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 319 | ALA | 0 | -0.021 | -0.013 | 42.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 320 | VAL | 0 | -0.022 | -0.014 | 44.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 321 | ASP | -1 | -0.887 | -0.934 | 47.636 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 322 | LEU | 0 | -0.043 | -0.017 | 44.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 323 | ILE | 0 | 0.012 | -0.013 | 45.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 324 | ASN | 0 | -0.065 | -0.032 | 49.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 325 | GLU | -1 | -0.894 | -0.946 | 51.320 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 326 | GLN | 0 | -0.041 | -0.043 | 48.892 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 327 | LEU | 0 | -0.046 | -0.031 | 50.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 328 | ASN | 0 | -0.081 | -0.036 | 54.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 329 | SER | 0 | -0.008 | 0.011 | 56.058 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 330 | PRO | 0 | -0.019 | -0.020 | 57.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 331 | SER | 0 | -0.009 | -0.010 | 57.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 332 | SER | 0 | -0.019 | 0.022 | 53.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 333 | PHE | 0 | 0.076 | 0.023 | 49.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 334 | LEU | 0 | -0.057 | -0.013 | 51.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 335 | ALA | 0 | -0.090 | -0.031 | 55.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 336 | ASP | -1 | -0.863 | -0.930 | 57.039 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 337 | ASP | -1 | -0.945 | -0.948 | 59.254 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 338 | SER | 0 | -0.075 | -0.050 | 59.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 339 | LYS | 1 | 0.994 | 1.002 | 58.363 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 340 | THR | 0 | -0.009 | -0.009 | 54.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 341 | SER | 0 | -0.037 | -0.016 | 56.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 342 | HIS | 0 | 0.090 | 0.003 | 53.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 343 | ILE | 0 | 0.035 | 0.009 | 50.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 344 | GLN | 0 | 0.014 | 0.018 | 50.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 345 | LEU | 0 | -0.015 | -0.012 | 52.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 346 | ILE | 0 | 0.033 | 0.013 | 47.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 347 | PHE | 0 | 0.073 | 0.056 | 46.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 348 | LYS | 1 | 0.976 | 0.992 | 48.855 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 349 | SER | 0 | -0.066 | -0.043 | 48.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 350 | GLU | -1 | -0.748 | -0.853 | 44.240 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 351 | LEU | 0 | 0.011 | 0.005 | 45.706 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 352 | LEU | 0 | 0.010 | 0.002 | 47.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 353 | SER | 0 | -0.057 | -0.055 | 45.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 354 | ILE | 0 | -0.023 | -0.006 | 42.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 355 | GLN | 0 | 0.017 | 0.009 | 44.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 356 | SER | 0 | -0.039 | -0.027 | 47.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 357 | GLU | -1 | -0.896 | -0.966 | 40.180 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 358 | PHE | 0 | 0.008 | 0.010 | 42.508 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 359 | LEU | 0 | -0.038 | -0.037 | 43.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 360 | LEU | 0 | -0.063 | -0.013 | 44.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 361 | ASP | -1 | -0.872 | -0.931 | 39.435 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 362 | VAL | 0 | 0.004 | 0.006 | 40.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 363 | LYS | 1 | 0.939 | 0.965 | 42.657 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 364 | ARG | 1 | 0.885 | 0.960 | 45.871 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 365 | ASP | -1 | -0.854 | -0.930 | 47.729 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 366 | TYR | 0 | 0.057 | -0.001 | 47.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 367 | LYS | 1 | 0.934 | 0.969 | 51.594 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 368 | LEU | 0 | 0.073 | 0.040 | 52.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 369 | ALA | 0 | 0.070 | 0.047 | 49.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 370 | LYS | 1 | 0.934 | 0.972 | 51.158 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 371 | GLU | -1 | -0.936 | -0.992 | 53.391 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 372 | VAL | 0 | -0.002 | 0.023 | 50.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 373 | ALA | 0 | 0.010 | -0.005 | 50.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 374 | MET | 0 | -0.053 | -0.022 | 51.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 375 | GLU | -1 | -0.915 | -0.947 | 54.965 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 376 | ALA | 0 | 0.006 | -0.004 | 50.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 377 | VAL | 0 | -0.021 | -0.020 | 51.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 378 | ASN | 0 | -0.045 | -0.028 | 52.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 379 | CYS | 0 | -0.109 | -0.041 | 52.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 380 | ALA | 0 | 0.011 | 0.007 | 50.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 381 | PRO | 0 | 0.020 | 0.029 | 50.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 382 | ASN | 0 | -0.017 | -0.014 | 51.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 383 | GLU | -1 | -0.759 | -0.891 | 44.814 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 384 | PHE | 0 | 0.005 | -0.003 | 41.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 385 | LYS | 1 | 0.936 | 0.964 | 39.901 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 386 | THR | 0 | 0.030 | 0.023 | 44.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 387 | TRP | 0 | 0.047 | 0.004 | 48.159 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 388 | TYR | 0 | -0.017 | 0.006 | 40.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 389 | LEU | 0 | 0.019 | 0.005 | 43.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 390 | LEU | 0 | 0.020 | 0.013 | 46.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 391 | THR | 0 | -0.032 | -0.028 | 48.023 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 392 | ARG | 1 | 0.846 | 0.913 | 40.672 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 393 | ILE | 0 | -0.014 | -0.007 | 47.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 394 | TYR | 0 | -0.011 | -0.026 | 49.868 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 395 | ILE | 0 | 0.020 | 0.012 | 46.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 396 | LYS | 1 | 0.888 | 0.969 | 44.606 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 397 | LEU | 0 | -0.106 | -0.034 | 50.269 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 398 | ASN | 0 | -0.037 | -0.025 | 53.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 399 | ASP | -1 | -0.869 | -0.907 | 54.355 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 400 | MET | 0 | 0.008 | -0.012 | 51.330 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 401 | SER | 0 | -0.066 | -0.023 | 54.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 402 | ASN | 0 | -0.009 | -0.020 | 56.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 403 | ALA | 0 | 0.034 | 0.026 | 51.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 404 | LEU | 0 | 0.035 | 0.018 | 52.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 405 | LEU | 0 | -0.049 | -0.027 | 54.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 406 | SER | 0 | -0.051 | -0.035 | 52.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 407 | LEU | 0 | 0.054 | 0.049 | 47.281 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 408 | ASN | 0 | -0.020 | -0.035 | 50.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 409 | ALA | 0 | -0.053 | -0.018 | 53.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 410 | CYS | 0 | -0.024 | 0.008 | 46.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 411 | PRO | 0 | 0.009 | 0.032 | 47.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 412 | MET | 0 | 0.027 | 0.039 | 45.401 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 413 | SER | 0 | -0.014 | 0.001 | 40.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 414 | GLN | 0 | -0.020 | -0.028 | 42.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 415 | VAL | 0 | -0.025 | -0.005 | 42.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 416 | LYS | 1 | 0.894 | 0.954 | 38.424 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 417 | GLU | -1 | -0.874 | -0.921 | 35.164 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 418 | LYS | 1 | 0.880 | 0.937 | 28.928 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 419 | TYR | 0 | 0.035 | 0.022 | 25.922 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 420 | VAL | 0 | -0.009 | -0.008 | 27.379 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 421 | LEU | 0 | 0.040 | 0.019 | 21.760 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 422 | ARG | 1 | 0.878 | 0.934 | 25.977 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 423 | ARG | 1 | 0.870 | 0.922 | 23.874 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 424 | ILE | 0 | 0.019 | 0.006 | 26.223 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 425 | ALA | 0 | -0.005 | -0.013 | 27.576 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 426 | PRO | 0 | -0.050 | -0.026 | 27.898 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 427 | ILE | 0 | 0.047 | 0.041 | 26.010 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 428 | THR | 0 | -0.086 | -0.079 | 28.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 429 | SER | 0 | -0.035 | -0.014 | 28.710 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 430 | ASP | -1 | -0.851 | -0.896 | 28.543 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 431 | GLU | -1 | -0.893 | -0.940 | 21.795 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 432 | ASN | 0 | -0.041 | -0.039 | 23.772 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 433 | LEU | 0 | 0.007 | 0.003 | 19.541 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 434 | HIS | 0 | 0.002 | 0.011 | 12.517 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 435 | LEU | 0 | -0.017 | -0.018 | 14.158 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 436 | PRO | 0 | -0.056 | 0.014 | 8.895 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 437 | LEU | 0 | 0.002 | -0.029 | 9.239 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 438 | PRO | 0 | -0.006 | 0.013 | 5.187 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 439 | LEU | 0 | -0.050 | -0.010 | 6.003 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 440 | ASP | -1 | -0.846 | -0.920 | 2.566 | -3.360 | -1.502 | 0.951 | -1.537 | -1.272 | -0.018 |
365 | B | 441 | NME | 0 | -0.094 | -0.040 | 4.651 | 0.247 | 0.272 | 0.000 | -0.011 | -0.015 | 0.000 |
366 | B | 449 | ACE | 0 | 0.006 | -0.021 | 13.035 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 450 | ASN | 0 | 0.018 | -0.025 | 13.387 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 451 | PRO | 0 | -0.030 | 0.010 | 14.677 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 452 | MET | 0 | -0.061 | -0.036 | 14.411 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 453 | ASP | -1 | -0.875 | -0.921 | 17.907 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 454 | VAL | 0 | 0.010 | -0.011 | 21.167 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 455 | GLN | 0 | -0.049 | -0.023 | 22.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 456 | LEU | 0 | 0.003 | 0.006 | 21.357 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 457 | GLU | -1 | -0.972 | -0.986 | 25.568 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 458 | GLN | 0 | 0.031 | 0.022 | 29.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 459 | LYS | 1 | 0.825 | 0.905 | 29.279 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 460 | SER | 0 | -0.038 | -0.029 | 33.920 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 461 | ALA | 0 | 0.065 | 0.025 | 35.910 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 462 | ASP | -1 | -0.847 | -0.923 | 37.944 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 463 | PRO | 0 | 0.020 | 0.013 | 40.734 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 464 | ASN | 0 | -0.081 | -0.033 | 42.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 465 | LEU | 0 | -0.009 | -0.007 | 37.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 466 | VAL | 0 | 0.024 | -0.016 | 35.518 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 467 | ASN | 0 | -0.025 | -0.007 | 38.199 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 468 | LEU | 0 | -0.066 | -0.007 | 39.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 469 | SER | 0 | 0.037 | 0.002 | 39.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 470 | ALA | 0 | -0.003 | 0.003 | 40.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 471 | SER | 0 | -0.008 | 0.009 | 34.738 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 472 | SER | 0 | -0.027 | -0.018 | 34.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 473 | LEU | 0 | 0.082 | 0.053 | 35.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 474 | LYS | 1 | 0.877 | 0.921 | 33.322 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 475 | SER | 0 | 0.004 | -0.025 | 36.523 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 476 | THR | 0 | 0.017 | -0.034 | 38.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 477 | PHE | 0 | 0.048 | 0.021 | 41.412 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 478 | GLN | 0 | 0.028 | 0.029 | 34.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 479 | LEU | 0 | -0.033 | -0.024 | 37.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 480 | ALA | 0 | 0.038 | 0.027 | 40.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 481 | TYR | 0 | 0.013 | -0.001 | 41.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 482 | LYS | 1 | 0.925 | 0.966 | 35.374 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 483 | LEU | 0 | 0.044 | 0.034 | 41.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 484 | LEU | 0 | -0.018 | -0.001 | 45.024 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 485 | THR | 0 | -0.066 | -0.039 | 42.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 486 | GLU | -1 | -0.864 | -0.947 | 43.324 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 487 | ILE | 0 | -0.012 | -0.015 | 45.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 488 | VAL | 0 | -0.076 | -0.031 | 47.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 489 | GLN | 0 | 0.000 | 0.012 | 45.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 490 | ILE | 0 | -0.026 | -0.006 | 48.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 491 | THR | 0 | -0.043 | -0.022 | 51.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 492 | GLY | 0 | 0.093 | 0.063 | 52.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 493 | TRP | 0 | 0.041 | 0.003 | 50.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 494 | GLU | -1 | -0.866 | -0.949 | 53.807 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 495 | GLN | 0 | -0.105 | -0.054 | 56.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 496 | LEU | 0 | 0.011 | 0.015 | 51.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 497 | LEU | 0 | 0.019 | -0.010 | 55.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 498 | LYS | 1 | 0.922 | 0.968 | 57.861 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 499 | TYR | 0 | 0.015 | 0.013 | 56.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 500 | ARG | 1 | 0.950 | 0.994 | 54.361 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 501 | SER | 0 | -0.039 | -0.043 | 58.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 502 | LYS | 1 | 0.909 | 0.986 | 61.678 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 503 | ILE | 0 | -0.003 | -0.013 | 57.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 504 | PHE | 0 | -0.002 | 0.019 | 55.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 505 | VAL | 0 | -0.043 | -0.021 | 60.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 506 | NME | 0 | 0.041 | 0.037 | 60.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 531 | ACE | 0 | 0.008 | -0.007 | 71.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 532 | SER | 0 | -0.012 | -0.047 | 67.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 533 | LYS | 1 | 0.848 | 0.953 | 64.054 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 534 | ARG | 1 | 0.991 | 0.998 | 58.970 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 535 | LEU | 0 | 0.022 | 0.007 | 58.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 536 | CYS | 0 | -0.011 | 0.021 | 54.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 537 | GLU | -1 | -0.893 | -0.963 | 53.053 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 538 | ARG | 1 | 0.885 | 0.949 | 52.500 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 539 | TRP | 0 | 0.119 | 0.061 | 47.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 540 | LEU | 0 | 0.057 | 0.024 | 48.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 541 | ASP | -1 | -0.926 | -0.992 | 50.317 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 542 | ASN | 0 | -0.046 | -0.019 | 46.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 543 | LEU | 0 | 0.038 | 0.017 | 44.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 544 | PHE | 0 | 0.000 | -0.014 | 47.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 545 | MET | 0 | -0.029 | -0.016 | 49.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 546 | LEU | 0 | 0.066 | 0.033 | 43.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 547 | LEU | 0 | -0.007 | 0.015 | 45.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 548 | TYR | 0 | -0.066 | -0.033 | 46.942 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 549 | GLU | -1 | -0.950 | -0.980 | 45.663 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 550 | ASP | -1 | -0.731 | -0.866 | 41.261 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 551 | LEU | 0 | -0.024 | -0.019 | 44.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 552 | LYS | 1 | 0.973 | 1.001 | 46.782 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 553 | THR | 0 | 0.017 | 0.017 | 41.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 554 | TYR | 0 | -0.018 | -0.015 | 41.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 555 | THR | 0 | -0.064 | -0.054 | 44.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 556 | ASP | -1 | -0.923 | -0.971 | 46.489 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 557 | TRP | 0 | -0.016 | 0.014 | 37.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 558 | GLN | 0 | -0.014 | -0.039 | 42.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 559 | SER | 0 | -0.032 | 0.011 | 45.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 560 | GLU | -1 | -0.800 | -0.900 | 43.865 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 561 | GLN | 0 | -0.023 | -0.017 | 40.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 562 | LEU | 0 | 0.025 | 0.019 | 44.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 563 | TYR | 0 | -0.093 | -0.038 | 47.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 564 | PHE | 0 | -0.009 | -0.029 | 44.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 565 | ASP | -1 | -0.919 | -0.951 | 43.061 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 566 | ALA | 0 | -0.063 | -0.013 | 45.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 567 | GLN | 0 | -0.046 | -0.011 | 46.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 568 | ASN | 0 | -0.058 | -0.042 | 43.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 569 | SER | 0 | 0.028 | 0.013 | 43.060 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 570 | LYS | 1 | 0.879 | 0.938 | 32.650 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 571 | TYR | 0 | -0.002 | 0.004 | 38.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 572 | HIS | 0 | -0.036 | -0.028 | 36.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 573 | LYS | 1 | 0.890 | 0.960 | 36.614 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 574 | LEU | 0 | 0.018 | -0.004 | 32.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 575 | THR | 0 | 0.013 | -0.014 | 28.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 576 | VAL | 0 | 0.059 | 0.031 | 29.565 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 577 | GLU | -1 | -0.822 | -0.908 | 31.374 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 578 | TRP | 0 | -0.024 | -0.016 | 31.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 579 | GLU | -1 | -0.843 | -0.853 | 27.299 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 580 | LEU | 0 | 0.007 | -0.001 | 31.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 581 | PHE | 0 | 0.008 | 0.013 | 34.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 582 | GLY | 0 | 0.054 | 0.024 | 33.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 583 | LEU | 0 | -0.053 | -0.041 | 30.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 584 | CYS | 0 | -0.042 | -0.003 | 34.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 585 | ALA | 0 | 0.034 | 0.012 | 37.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 586 | LYS | 1 | 0.859 | 0.923 | 31.204 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 587 | ARG | 1 | 0.795 | 0.884 | 36.027 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 588 | LEU | 0 | -0.050 | -0.035 | 38.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 589 | GLY | 0 | 0.030 | 0.041 | 40.193 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 590 | HIS | 1 | 0.838 | 0.916 | 40.240 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 591 | LEU | 0 | 0.088 | 0.033 | 35.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 592 | PRO | 0 | 0.070 | 0.045 | 36.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 593 | GLU | -1 | -0.949 | -0.995 | 36.928 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 594 | ALA | 0 | -0.008 | 0.012 | 34.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 595 | ALA | 0 | 0.006 | 0.005 | 32.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 596 | LYS | 1 | 0.970 | 0.973 | 32.279 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 597 | ALA | 0 | 0.043 | 0.030 | 33.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 598 | PHE | 0 | 0.016 | -0.014 | 29.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 599 | GLN | 0 | 0.021 | -0.001 | 29.019 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 600 | ILE | 0 | -0.008 | 0.022 | 29.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 601 | GLY | 0 | 0.014 | 0.042 | 29.865 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 602 | LEU | 0 | -0.092 | -0.032 | 23.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 603 | SER | 0 | -0.060 | -0.077 | 25.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 604 | GLN | 0 | -0.035 | -0.038 | 27.005 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 605 | ARG | 0 | 0.110 | 0.082 | 24.046 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 606 | PHE | 0 | 0.041 | 0.040 | 18.421 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 607 | SER | 0 | -0.081 | -0.131 | 22.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 608 | PRO | 0 | 0.031 | 0.030 | 20.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 609 | VAL | 0 | 0.042 | 0.018 | 21.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 610 | CYS | 0 | -0.019 | 0.004 | 25.444 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 611 | ALA | 0 | 0.058 | 0.038 | 21.825 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 612 | LYS | 1 | 0.948 | 0.980 | 20.902 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 613 | ASN | 0 | 0.010 | 0.010 | 24.308 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 614 | LEU | 0 | -0.020 | 0.010 | 26.392 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 615 | LEU | 0 | 0.043 | 0.028 | 22.002 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 616 | GLN | 0 | -0.044 | -0.020 | 26.001 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 617 | PHE | 0 | 0.012 | 0.000 | 28.533 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 618 | TYR | 0 | 0.038 | 0.009 | 27.381 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 619 | ILE | 0 | -0.005 | 0.007 | 26.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 620 | ASP | -1 | -0.944 | -0.978 | 29.872 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 621 | GLU | -1 | -0.864 | -0.921 | 33.092 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 622 | HIS | 0 | -0.047 | -0.030 | 29.971 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 623 | LYS | 1 | 0.968 | 0.970 | 31.454 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 624 | ARG | 1 | 0.813 | 0.894 | 35.085 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 625 | ILE | 0 | 0.021 | 0.013 | 35.653 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 626 | ARG | 1 | 0.845 | 0.897 | 32.659 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 627 | ARG | 1 | 0.929 | 0.967 | 37.813 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 628 | ASP | -1 | -0.916 | -0.969 | 40.247 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 629 | SER | 0 | -0.068 | -0.019 | 40.424 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 630 | VAL | 0 | 0.005 | 0.000 | 41.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 631 | SER | 0 | -0.061 | -0.047 | 44.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 632 | ALA | 0 | -0.043 | 0.008 | 46.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 633 | ASN | 0 | -0.040 | 0.008 | 45.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 634 | SER | 0 | 0.004 | -0.052 | 46.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 635 | GLU | -1 | -0.963 | -0.946 | 45.834 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 636 | LEU | 0 | -0.016 | -0.004 | 40.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 637 | THR | 0 | 0.024 | -0.016 | 43.875 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 638 | SER | 0 | 0.046 | 0.007 | 42.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 639 | SER | 0 | 0.012 | 0.010 | 40.560 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 640 | GLN | 0 | 0.044 | 0.035 | 39.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 641 | ILE | 0 | 0.003 | 0.047 | 38.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 642 | LEU | 0 | 0.000 | -0.002 | 36.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 643 | SER | 0 | -0.041 | -0.019 | 34.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 644 | SER | 0 | 0.010 | -0.037 | 33.906 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 645 | ILE | 0 | 0.001 | 0.000 | 31.836 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 646 | ASN | 0 | -0.028 | -0.008 | 29.574 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 647 | ASP | -1 | -0.891 | -0.941 | 28.973 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 648 | ILE | 0 | -0.013 | -0.022 | 28.634 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 649 | ASP | -1 | -0.831 | -0.905 | 26.625 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 650 | SER | 0 | -0.016 | -0.012 | 24.469 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 651 | SER | 0 | -0.130 | -0.067 | 23.632 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 652 | ILE | 0 | 0.017 | -0.003 | 23.302 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 653 | ILE | 0 | 0.011 | 0.010 | 19.151 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 654 | ASP | -1 | -0.887 | -0.940 | 19.228 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 655 | LEU | 0 | -0.045 | -0.033 | 19.499 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 656 | VAL | 0 | -0.014 | 0.000 | 16.827 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 657 | VAL | 0 | 0.016 | 0.008 | 13.444 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 658 | LYS | 1 | 0.852 | 0.926 | 14.192 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 659 | ILE | 0 | -0.030 | -0.015 | 15.452 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 660 | CYS | 0 | -0.001 | 0.009 | 12.537 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 661 | CYS | 0 | 0.019 | 0.018 | 10.873 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 662 | TRP | 0 | -0.041 | -0.035 | 11.617 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 663 | ASN | 0 | -0.009 | -0.017 | 13.954 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 664 | HIS | 0 | 0.098 | 0.069 | 5.439 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 665 | ARG | 1 | 0.888 | 0.929 | 9.595 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 666 | TRP | 0 | -0.094 | -0.050 | 11.012 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 667 | TYR | 0 | 0.025 | 0.017 | 10.633 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 668 | ILE | 0 | -0.020 | 0.015 | 11.740 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 669 | GLU | -1 | -0.808 | -0.901 | 8.817 | -1.209 | -1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 670 | PHE | 0 | -0.046 | -0.026 | 12.130 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 671 | SER | 0 | -0.009 | -0.038 | 15.813 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 672 | ILE | 0 | -0.028 | 0.002 | 18.581 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 673 | ILE | 0 | -0.011 | -0.013 | 21.875 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 674 | LEU | 0 | 0.000 | 0.003 | 16.242 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 675 | ILE | 0 | 0.036 | 0.034 | 18.128 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 676 | ASP | -1 | -0.836 | -0.937 | 20.482 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 677 | ALA | 0 | -0.035 | -0.023 | 22.403 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 678 | LEU | 0 | 0.023 | 0.005 | 17.577 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 679 | SER | 0 | 0.002 | 0.001 | 21.678 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 680 | VAL | 0 | -0.024 | -0.011 | 23.960 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 681 | ALA | 0 | 0.046 | 0.024 | 23.480 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 682 | VAL | 0 | -0.059 | -0.030 | 22.400 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 683 | GLN | 0 | -0.049 | -0.020 | 25.201 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 684 | ASP | -1 | -0.773 | -0.820 | 28.631 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 685 | MET | 0 | -0.114 | -0.030 | 24.025 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 686 | GLY | 0 | 0.028 | 0.011 | 26.632 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 687 | ILE | 0 | 0.109 | 0.028 | 21.878 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 688 | THR | 0 | -0.011 | 0.001 | 21.509 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 689 | LYS | 1 | 0.938 | 0.969 | 21.948 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 690 | VAL | 0 | 0.043 | -0.001 | 20.710 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 691 | HIS | 0 | 0.024 | 0.014 | 14.139 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 692 | ASN | 0 | 0.006 | -0.004 | 18.055 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 693 | GLU | -1 | -0.904 | -0.903 | 20.194 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 694 | ILE | 0 | -0.006 | -0.016 | 14.945 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 695 | ALA | 0 | 0.009 | 0.002 | 15.534 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 696 | SER | 0 | -0.113 | -0.081 | 16.602 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 697 | ARG | 1 | 0.896 | 0.947 | 18.607 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 698 | PHE | 0 | -0.027 | -0.010 | 14.039 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 699 | SER | 0 | 0.009 | 0.003 | 10.487 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 700 | ASP | -1 | -0.876 | -0.948 | 11.441 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 701 | PRO | 0 | 0.002 | 0.003 | 6.398 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 702 | VAL | 0 | 0.022 | 0.014 | 7.421 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 703 | ALA | 0 | 0.014 | 0.005 | 9.550 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 704 | GLN | 0 | -0.014 | -0.007 | 7.609 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 705 | LEU | 0 | 0.046 | 0.041 | 5.944 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 706 | ILE | 0 | -0.054 | -0.047 | 8.327 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 707 | ASP | -1 | -0.937 | -0.971 | 11.658 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 708 | ASP | -1 | -0.860 | -0.941 | 7.776 | -0.728 | -0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 709 | ASN | 0 | -0.100 | -0.070 | 9.156 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 710 | ILE | 0 | -0.075 | -0.041 | 12.135 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 711 | LEU | 0 | -0.007 | -0.009 | 14.737 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 712 | ASN | 0 | 0.046 | 0.038 | 13.616 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 713 | PHE | 0 | -0.025 | -0.010 | 15.942 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 714 | LEU | 0 | -0.012 | -0.030 | 18.282 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 715 | LYS | 1 | 0.899 | 0.976 | 17.313 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 716 | ASN | 0 | -0.034 | -0.014 | 17.781 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 717 | PHE | 0 | -0.011 | -0.010 | 16.904 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 718 | THR | 0 | -0.040 | -0.009 | 21.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 719 | ASN | 0 | -0.019 | -0.004 | 24.647 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 720 | ASP | -1 | -0.914 | -0.945 | 26.085 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 721 | THR | 0 | -0.062 | -0.033 | 27.267 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 722 | PHE | 0 | -0.054 | -0.029 | 24.054 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 723 | NME | 0 | 0.005 | 0.009 | 29.162 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |