FMODB ID: MV24Z
Calculation Name: 5CWW-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5CWW
Chain ID: B
UniProt ID: G0SAK3
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 538 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10976521.368097 |
---|---|
FMO2-HF: Nuclear repulsion | 10769575.939608 |
FMO2-HF: Total energy | -206945.42849 |
FMO2-MP2: Total energy | -207554.754343 |
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:3:LYS)
Summations of interaction energy for
fragment #1(B:3:LYS)
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. |
-158.713 | -157.55 | -0.006 | -0.444 | -0.713 | 0.001 |
Interaction energy analysis for fragmet #1(B:3:LYS)
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 | 5 | LYS | 1 | 0.926 | 0.962 | 3.855 | 31.545 | 32.708 | -0.006 | -0.444 | -0.713 | 0.001 |
4 | B | 6 | SER | 0 | -0.005 | -0.008 | 6.014 | 2.413 | 2.413 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 7 | PHE | 0 | 0.040 | 0.008 | 7.993 | -1.239 | -1.239 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 8 | ALA | 0 | 0.089 | 0.064 | 9.778 | 1.761 | 1.761 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 9 | PRO | 0 | 0.044 | 0.040 | 9.195 | -2.671 | -2.671 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 10 | ALA | 0 | -0.011 | -0.024 | 7.513 | 0.697 | 0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 11 | TRP | 0 | 0.044 | 0.014 | 8.681 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 12 | LEU | 0 | -0.024 | -0.004 | 11.422 | 1.450 | 1.450 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 13 | ASN | 0 | -0.024 | 0.013 | 7.468 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 14 | GLU | -1 | -0.877 | -0.922 | 9.414 | -17.247 | -17.247 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 15 | PRO | 0 | -0.098 | -0.057 | 8.116 | -1.905 | -1.905 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 16 | ALA | 0 | 0.015 | 0.008 | 10.969 | 1.082 | 1.082 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 17 | PRO | 0 | 0.013 | -0.006 | 12.751 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 18 | GLY | 0 | 0.058 | 0.025 | 15.548 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 19 | HIS | 0 | 0.008 | 0.000 | 12.499 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 20 | LYS | 1 | 0.854 | 0.934 | 14.577 | 13.106 | 13.106 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 21 | LEU | 0 | -0.007 | -0.002 | 18.009 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 22 | PHE | 0 | -0.002 | -0.004 | 15.780 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 23 | ALA | 0 | 0.063 | 0.049 | 15.428 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 24 | PRO | 0 | -0.042 | -0.009 | 16.901 | 0.876 | 0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 42 | LYS | 1 | 0.802 | 0.877 | 30.365 | 8.440 | 8.440 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 43 | PRO | 0 | 0.049 | 0.025 | 31.863 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 44 | GLY | 0 | 0.027 | 0.027 | 33.196 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 45 | PRO | 0 | 0.023 | 0.014 | 31.123 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 46 | ARG | 1 | 0.774 | 0.851 | 20.957 | 11.961 | 11.961 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 47 | ARG | 1 | 0.884 | 0.924 | 26.899 | 8.893 | 8.893 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 48 | THR | 0 | -0.014 | -0.011 | 24.349 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 49 | ILE | 0 | -0.007 | -0.010 | 21.187 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 50 | ALA | 0 | 0.025 | 0.027 | 25.508 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 51 | ARG | 1 | 0.838 | 0.918 | 25.916 | 10.617 | 10.617 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 52 | ARG | 1 | 0.812 | 0.880 | 27.717 | 9.405 | 9.405 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 53 | GLY | 0 | 0.050 | 0.037 | 28.948 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 54 | THR | 0 | 0.027 | 0.001 | 24.240 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 55 | GLU | -1 | -0.785 | -0.834 | 24.132 | -10.117 | -10.117 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 56 | ILE | 0 | -0.013 | -0.014 | 20.210 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 57 | PHE | 0 | -0.003 | -0.015 | 24.882 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 58 | VAL | 0 | 0.039 | 0.015 | 20.938 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 59 | ALA | 0 | -0.014 | -0.006 | 24.177 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 60 | CYS | 0 | -0.028 | -0.010 | 22.937 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 61 | GLY | 0 | 0.037 | 0.015 | 25.269 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 62 | LYS | 1 | 0.858 | 0.931 | 28.290 | 8.687 | 8.687 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 63 | GLN | 0 | -0.051 | -0.011 | 25.241 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 64 | ILE | 0 | 0.034 | 0.022 | 27.172 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 65 | ARG | 1 | 0.773 | 0.882 | 19.992 | 12.253 | 12.253 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 66 | TRP | 0 | -0.022 | -0.026 | 24.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 67 | GLY | 0 | 0.062 | 0.010 | 22.971 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 68 | ASP | -1 | -0.770 | -0.840 | 23.393 | -11.742 | -11.742 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 69 | LEU | 0 | -0.003 | -0.007 | 18.441 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 70 | ALA | 0 | 0.049 | 0.033 | 19.805 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 71 | GLN | 0 | 0.019 | -0.018 | 21.108 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 72 | LEU | 0 | -0.062 | -0.013 | 17.745 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 73 | LYS | 1 | 0.892 | 0.964 | 16.325 | 15.089 | 15.089 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 74 | GLU | -1 | -0.876 | -0.937 | 16.908 | -13.666 | -13.666 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 75 | SER | 0 | -0.043 | -0.028 | 18.460 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 76 | TRP | 0 | -0.065 | -0.041 | 9.111 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 77 | GLU | -1 | -0.907 | -0.953 | 14.376 | -19.489 | -19.489 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 78 | SER | 0 | -0.055 | -0.035 | 16.441 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 79 | ARG | 1 | 0.844 | 0.941 | 10.351 | 23.554 | 23.554 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 80 | PRO | 0 | 0.009 | 0.005 | 17.923 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 81 | SER | 0 | -0.039 | -0.023 | 15.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 98 | ASP | -1 | -0.835 | -0.920 | 23.753 | -11.126 | -11.126 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 99 | ASP | -1 | -0.910 | -0.966 | 26.984 | -9.167 | -9.167 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 100 | GLY | 0 | 0.017 | -0.003 | 24.704 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 101 | ALA | 0 | 0.028 | 0.007 | 25.355 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 102 | ALA | 0 | -0.019 | -0.009 | 25.276 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 103 | THR | 0 | -0.060 | -0.034 | 20.364 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 104 | ALA | 0 | 0.038 | 0.019 | 22.921 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 105 | GLY | 0 | 0.054 | 0.029 | 22.109 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 106 | TYR | 0 | -0.006 | -0.005 | 21.426 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 107 | ARG | 1 | 0.824 | 0.913 | 23.728 | 9.698 | 9.698 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 108 | ILE | 0 | -0.057 | -0.007 | 24.993 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 109 | ILE | 0 | 0.040 | 0.012 | 27.256 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 110 | LYS | 1 | 0.945 | 0.965 | 30.186 | 8.746 | 8.746 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 111 | THR | 0 | 0.011 | 0.008 | 31.720 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 112 | PRO | 0 | -0.029 | -0.012 | 34.499 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 113 | VAL | 0 | -0.023 | 0.009 | 33.413 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 114 | ALA | 0 | 0.016 | 0.001 | 36.313 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 115 | ASP | -1 | -0.845 | -0.942 | 35.088 | -8.180 | -8.180 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 116 | ASP | -1 | -0.857 | -0.920 | 30.094 | -8.966 | -8.966 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 117 | ILE | 0 | -0.038 | -0.022 | 29.944 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 118 | ARG | 1 | 0.842 | 0.922 | 29.831 | 8.345 | 8.345 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 119 | GLN | 0 | -0.032 | -0.036 | 30.470 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 120 | LEU | 0 | -0.038 | 0.000 | 27.696 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 121 | VAL | 0 | 0.030 | 0.012 | 31.621 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 122 | MET | 0 | -0.013 | 0.014 | 30.933 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 123 | SER | 0 | -0.002 | 0.006 | 34.193 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 124 | PRO | 0 | 0.040 | 0.008 | 36.478 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 125 | ASN | 0 | -0.018 | -0.031 | 37.567 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 126 | GLN | 0 | -0.023 | -0.008 | 32.923 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 127 | ASP | -1 | -0.745 | -0.856 | 35.204 | -7.594 | -7.594 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 128 | PHE | 0 | -0.057 | -0.029 | 37.602 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 129 | LEU | 0 | 0.028 | 0.015 | 30.951 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 130 | ALA | 0 | -0.010 | 0.007 | 35.419 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 131 | VAL | 0 | -0.012 | -0.017 | 32.733 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 132 | LEU | 0 | 0.014 | 0.019 | 34.375 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 133 | THR | 0 | -0.028 | -0.015 | 34.002 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 134 | SER | 0 | 0.055 | 0.004 | 35.684 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 135 | HIS | 0 | 0.045 | 0.038 | 37.272 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 136 | THR | 0 | -0.067 | -0.018 | 39.039 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 137 | VAL | 0 | 0.067 | 0.034 | 38.815 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 138 | HIS | 0 | 0.001 | 0.003 | 37.742 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 139 | ILE | 0 | 0.019 | 0.012 | 38.235 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 140 | CYS | 0 | -0.055 | -0.020 | 35.232 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 141 | ILE | 0 | -0.003 | -0.006 | 37.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 142 | LEU | 0 | -0.023 | -0.008 | 32.800 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 143 | PRO | 0 | -0.075 | -0.028 | 32.511 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 144 | ASP | -1 | -0.819 | -0.908 | 34.394 | -8.396 | -8.396 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 145 | SER | 0 | 0.072 | -0.010 | 30.659 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 146 | SER | 0 | -0.051 | -0.031 | 30.786 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 147 | HIS | 1 | 0.799 | 0.901 | 31.871 | 8.223 | 8.223 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 148 | LEU | 0 | 0.003 | 0.025 | 25.966 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 149 | HIS | 0 | 0.028 | 0.017 | 26.926 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 150 | ILE | 0 | -0.006 | -0.005 | 24.732 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 151 | GLN | 0 | -0.020 | -0.012 | 29.129 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 152 | ASP | -1 | -0.774 | -0.833 | 32.156 | -8.033 | -8.033 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 153 | THR | 0 | -0.034 | -0.031 | 33.638 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 154 | THR | 0 | -0.085 | -0.053 | 35.879 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 155 | PRO | 0 | -0.033 | -0.027 | 36.449 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 156 | PHE | 0 | 0.008 | 0.002 | 31.037 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 157 | LYS | 1 | 0.920 | 0.948 | 35.846 | 7.216 | 7.216 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 158 | PRO | 0 | 0.042 | 0.034 | 33.267 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 159 | LYS | 1 | 0.868 | 0.949 | 36.581 | 6.817 | 6.817 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 160 | PHE | 0 | 0.068 | 0.026 | 33.509 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 161 | TRP | 0 | -0.040 | -0.011 | 39.586 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 162 | THR | 0 | 0.007 | -0.005 | 41.541 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 163 | LEU | 0 | -0.008 | 0.009 | 42.722 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 164 | GLY | 0 | 0.058 | 0.028 | 44.552 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 165 | PRO | 0 | -0.015 | -0.012 | 46.837 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 166 | THR | 0 | -0.048 | -0.020 | 47.872 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 167 | THR | 0 | -0.085 | -0.045 | 48.159 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 168 | HIS | 0 | 0.049 | 0.039 | 43.201 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 169 | VAL | 0 | 0.018 | -0.002 | 44.235 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 170 | THR | 0 | 0.026 | 0.006 | 41.535 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 171 | SER | 0 | -0.039 | -0.004 | 44.205 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 172 | ARG | 1 | 0.782 | 0.886 | 46.661 | 5.929 | 5.929 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 173 | SER | 0 | -0.003 | -0.027 | 45.908 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 174 | ALA | 0 | -0.009 | 0.013 | 40.548 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 175 | VAL | 0 | -0.032 | -0.031 | 38.849 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 176 | VAL | 0 | 0.014 | 0.028 | 38.698 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 177 | SER | 0 | 0.001 | 0.005 | 37.717 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 178 | ALA | 0 | -0.024 | -0.023 | 38.223 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 179 | VAL | 0 | 0.034 | 0.026 | 38.075 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 180 | TRP | 0 | -0.015 | -0.030 | 37.105 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 181 | HIS | 0 | -0.002 | 0.004 | 41.395 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 182 | PRO | 0 | 0.045 | 0.034 | 42.925 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 183 | LEU | 0 | 0.010 | 0.013 | 44.143 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 184 | GLY | 0 | 0.007 | -0.009 | 45.853 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 185 | VAL | 0 | 0.019 | 0.015 | 46.149 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 186 | ASN | 0 | 0.000 | 0.000 | 45.461 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 187 | GLY | 0 | 0.073 | 0.055 | 42.209 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 188 | HIS | 1 | 0.798 | 0.862 | 41.524 | 6.880 | 6.880 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 189 | ALA | 0 | -0.003 | 0.014 | 44.312 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 190 | LEU | 0 | -0.029 | -0.008 | 40.581 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 191 | VAL | 0 | 0.018 | 0.010 | 43.348 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 192 | THR | 0 | -0.038 | -0.016 | 42.149 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 193 | VAL | 0 | 0.034 | 0.013 | 42.802 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 194 | THR | 0 | -0.036 | -0.037 | 42.698 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 195 | GLU | -1 | -0.788 | -0.905 | 41.705 | -6.901 | -6.901 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 196 | ASP | -1 | -0.780 | -0.845 | 44.475 | -6.071 | -6.071 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 197 | ALA | 0 | 0.088 | 0.057 | 46.974 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 198 | ILE | 0 | -0.079 | -0.028 | 48.327 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 199 | VAL | 0 | 0.059 | 0.039 | 47.444 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 200 | ARG | 1 | 0.793 | 0.883 | 47.552 | 6.382 | 6.382 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 201 | VAL | 0 | 0.039 | 0.025 | 47.263 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 202 | TRP | 0 | 0.035 | -0.001 | 46.075 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 203 | GLU | -1 | -0.757 | -0.853 | 47.532 | -5.893 | -5.893 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 204 | LEU | 0 | -0.008 | 0.013 | 43.049 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 205 | SER | 0 | 0.054 | 0.014 | 47.070 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 206 | THR | 0 | -0.008 | -0.010 | 44.257 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 207 | ALA | 0 | -0.039 | -0.011 | 47.393 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 208 | ASP | -1 | -0.858 | -0.942 | 50.617 | -5.501 | -5.501 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 209 | ARG | 1 | 0.947 | 0.978 | 49.701 | 5.724 | 5.724 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 210 | TRP | 0 | 0.036 | 0.026 | 50.195 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 211 | THR | 0 | -0.026 | -0.009 | 49.406 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 212 | PHE | 0 | -0.005 | -0.009 | 43.324 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 213 | ASP | -1 | -0.914 | -0.975 | 47.736 | -5.996 | -5.996 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 214 | ALA | 0 | -0.036 | -0.026 | 50.126 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 215 | PRO | 0 | -0.028 | 0.009 | 50.139 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 216 | THR | 0 | -0.092 | -0.080 | 51.416 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 217 | LEU | 0 | 0.004 | -0.005 | 52.576 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 218 | ALA | 0 | -0.040 | -0.024 | 52.003 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 219 | ILE | 0 | 0.032 | 0.012 | 52.201 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 220 | ASP | -1 | -0.785 | -0.874 | 52.125 | -5.697 | -5.697 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 221 | LEU | 0 | 0.004 | 0.001 | 49.446 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 222 | LYS | 1 | 0.852 | 0.910 | 51.577 | 5.851 | 5.851 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 223 | LYS | 1 | 0.730 | 0.862 | 55.059 | 5.357 | 5.357 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 224 | LEU | 0 | -0.072 | -0.041 | 54.691 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 225 | ALA | 0 | 0.024 | 0.027 | 55.498 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 226 | ASP | -1 | -0.864 | -0.919 | 57.451 | -5.092 | -5.092 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 227 | ALA | 0 | -0.131 | -0.049 | 60.804 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 228 | THR | 0 | -0.023 | -0.028 | 62.782 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 229 | TYR | 0 | -0.054 | -0.040 | 65.582 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 230 | LEU | 0 | -0.010 | 0.005 | 63.061 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 231 | ASP | -1 | -0.787 | -0.878 | 63.657 | -4.587 | -4.587 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 232 | GLN | 0 | -0.031 | -0.015 | 63.766 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 233 | ASP | -1 | -0.879 | -0.940 | 61.165 | -5.077 | -5.077 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 234 | PHE | 0 | 0.063 | 0.028 | 57.512 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 235 | GLY | 0 | 0.028 | 0.032 | 56.716 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 236 | VAL | 0 | 0.017 | -0.005 | 53.030 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 237 | SER | 0 | -0.016 | -0.001 | 56.325 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 238 | THR | 0 | 0.065 | 0.019 | 55.046 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 239 | SER | 0 | 0.015 | -0.002 | 56.194 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 240 | ALA | 0 | -0.010 | 0.018 | 57.103 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 241 | THR | 0 | -0.005 | 0.003 | 54.314 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 242 | ASN | 0 | -0.002 | -0.004 | 54.007 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 243 | LYS | 1 | 0.864 | 0.923 | 50.263 | 5.814 | 5.814 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 244 | GLY | 0 | 0.006 | 0.002 | 55.042 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 245 | PHE | 0 | -0.064 | -0.039 | 55.224 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 246 | SER | 0 | -0.058 | -0.058 | 55.336 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 247 | PRO | 0 | 0.062 | 0.036 | 54.194 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 248 | ASP | -1 | -0.771 | -0.862 | 52.282 | -5.632 | -5.632 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 249 | ALA | 0 | -0.111 | -0.055 | 50.298 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 250 | PHE | 0 | -0.002 | 0.001 | 47.676 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 251 | ASP | -1 | -0.832 | -0.927 | 47.668 | -6.026 | -6.026 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 252 | MET | 0 | -0.077 | -0.036 | 48.764 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 253 | GLU | -1 | -0.876 | -0.898 | 43.123 | -6.895 | -6.895 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 254 | VAL | 0 | -0.039 | -0.030 | 41.957 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 255 | ALA | 0 | 0.006 | 0.016 | 39.218 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 256 | ALA | 0 | -0.011 | -0.022 | 37.592 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 257 | ALA | 0 | -0.016 | -0.009 | 39.655 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 258 | CYS | 0 | -0.089 | -0.038 | 39.031 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 259 | PHE | 0 | 0.012 | -0.006 | 41.009 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 260 | PRO | 0 | 0.011 | 0.011 | 40.787 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 261 | THR | 0 | 0.042 | 0.044 | 37.226 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 262 | ARG | 1 | 0.813 | 0.908 | 39.504 | 7.292 | 7.292 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 263 | ASP | -1 | -0.891 | -0.948 | 41.063 | -7.506 | -7.506 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 264 | SER | 0 | -0.035 | -0.020 | 42.949 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 265 | GLY | 0 | -0.048 | -0.029 | 45.457 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 266 | GLY | 0 | 0.061 | 0.027 | 49.186 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 267 | TRP | 0 | 0.085 | 0.027 | 51.738 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 268 | ALA | 0 | 0.051 | 0.064 | 45.995 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 269 | PRO | 0 | -0.040 | -0.025 | 46.175 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 270 | MET | 0 | -0.060 | -0.034 | 47.221 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 271 | THR | 0 | 0.038 | -0.001 | 47.993 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 272 | LEU | 0 | -0.092 | -0.032 | 44.232 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 273 | TRP | 0 | 0.087 | 0.025 | 43.780 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 274 | LEU | 0 | -0.056 | -0.047 | 43.829 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 275 | ALA | 0 | 0.071 | 0.040 | 41.311 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 276 | MET | 0 | -0.054 | -0.003 | 43.017 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 277 | THR | 0 | -0.007 | -0.046 | 40.399 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 278 | SER | 0 | -0.032 | -0.026 | 42.681 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 279 | GLY | 0 | 0.044 | 0.026 | 43.927 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 280 | ASP | -1 | -0.855 | -0.900 | 44.975 | -6.123 | -6.123 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 281 | VAL | 0 | -0.027 | -0.024 | 44.170 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 282 | TYR | 0 | -0.044 | -0.041 | 46.857 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 283 | ALA | 0 | 0.011 | 0.013 | 47.534 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 284 | LEU | 0 | -0.046 | -0.018 | 49.535 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 285 | CYS | 0 | -0.004 | 0.030 | 50.754 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 286 | PRO | 0 | 0.008 | 0.008 | 53.112 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 287 | LEU | 0 | -0.019 | -0.011 | 48.900 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 288 | LEU | 0 | 0.041 | 0.026 | 50.414 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 289 | PRO | 0 | 0.011 | 0.004 | 48.956 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 290 | GLN | 0 | -0.047 | -0.034 | 51.845 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 291 | ARG | 1 | 0.816 | 0.901 | 53.372 | 5.681 | 5.681 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 292 | TRP | 0 | -0.023 | -0.028 | 50.990 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 293 | THR | 0 | 0.026 | -0.002 | 48.967 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 294 | PRO | 0 | -0.015 | 0.011 | 49.284 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 295 | PRO | 0 | 0.029 | 0.020 | 47.629 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 296 | PRO | 0 | 0.051 | -0.001 | 49.688 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 297 | THR | 0 | 0.002 | -0.001 | 50.309 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 298 | LEU | 0 | -0.023 | 0.005 | 50.050 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 299 | ILE | 0 | 0.087 | 0.052 | 53.014 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 300 | PRO | 0 | 0.021 | 0.017 | 55.938 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 301 | SER | 0 | -0.066 | -0.036 | 54.161 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 302 | LEU | 0 | 0.028 | 0.011 | 53.964 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 303 | SER | 0 | 0.033 | 0.005 | 57.355 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 304 | ALA | 0 | -0.025 | -0.008 | 59.584 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 305 | SER | 0 | 0.023 | 0.008 | 57.729 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 306 | ILE | 0 | -0.037 | -0.006 | 59.219 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 307 | VAL | 0 | -0.006 | -0.009 | 62.029 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 308 | ALA | 0 | -0.018 | -0.007 | 62.102 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 309 | LYS | 1 | 0.904 | 0.970 | 60.841 | 5.162 | 5.162 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 310 | VAL | 0 | -0.033 | -0.025 | 63.900 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 311 | ALA | 0 | 0.017 | 0.014 | 67.298 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 312 | ALA | 0 | 0.022 | 0.018 | 65.378 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 313 | ALA | 0 | -0.015 | -0.004 | 66.878 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 314 | GLU | -1 | -0.973 | -1.005 | 68.671 | -4.371 | -4.371 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 315 | ASP | -1 | -0.938 | -0.967 | 71.009 | -4.382 | -4.382 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 316 | ASN | 0 | -0.025 | -0.002 | 68.927 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 317 | PRO | 0 | -0.047 | -0.026 | 71.948 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 318 | GLU | -1 | -0.987 | -0.999 | 71.955 | -4.351 | -4.351 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 319 | SER | 0 | 0.004 | 0.036 | 70.061 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 320 | THR | 0 | 0.006 | 0.000 | 68.039 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 321 | PRO | 0 | -0.079 | -0.057 | 70.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 322 | GLU | -1 | -0.781 | -0.878 | 66.087 | -4.599 | -4.599 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 323 | GLU | -1 | -0.776 | -0.883 | 65.229 | -4.761 | -4.761 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 324 | ARG | 1 | 0.885 | 0.925 | 65.920 | 4.345 | 4.345 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 325 | LEU | 0 | -0.069 | -0.025 | 66.458 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 326 | VAL | 0 | 0.015 | 0.007 | 61.011 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 327 | ALA | 0 | 0.017 | 0.017 | 63.447 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 328 | GLN | 0 | -0.018 | -0.024 | 65.127 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 329 | GLN | 0 | -0.056 | -0.034 | 62.907 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 330 | GLN | 0 | -0.026 | -0.045 | 59.199 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 331 | LEU | 0 | 0.008 | 0.014 | 62.477 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 332 | GLU | -1 | -0.865 | -0.935 | 65.464 | -4.605 | -4.605 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 333 | TRP | 0 | 0.020 | 0.010 | 56.016 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 334 | MET | 0 | 0.006 | 0.007 | 58.271 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 335 | SER | 0 | -0.019 | -0.002 | 62.477 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 336 | GLU | -1 | -0.793 | -0.889 | 63.315 | -4.736 | -4.736 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 337 | ILE | 0 | -0.067 | -0.032 | 58.251 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 338 | ASP | -1 | -0.859 | -0.945 | 62.091 | -4.942 | -4.942 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 339 | ASN | 0 | -0.152 | -0.076 | 64.608 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 340 | GLN | 0 | -0.041 | -0.012 | 60.279 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 341 | GLU | -1 | -0.906 | -0.950 | 62.502 | -4.897 | -4.897 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 342 | PRO | 0 | -0.026 | 0.012 | 57.982 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 343 | LYS | 1 | 0.896 | 0.937 | 57.640 | 5.180 | 5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 344 | LEU | 0 | 0.029 | 0.015 | 55.779 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 345 | VAL | 0 | -0.088 | -0.052 | 51.954 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 346 | GLU | -1 | -0.876 | -0.947 | 49.344 | -6.122 | -6.122 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 347 | GLU | -1 | -0.865 | -0.919 | 44.171 | -7.010 | -7.010 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 348 | ALA | 0 | -0.094 | -0.065 | 44.844 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 349 | THR | 0 | -0.053 | -0.025 | 40.363 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 350 | GLY | 0 | 0.048 | 0.038 | 41.783 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 351 | GLU | -1 | -0.979 | -0.982 | 43.456 | -7.002 | -7.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 352 | ALA | 0 | -0.012 | -0.011 | 47.217 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 353 | THR | 0 | -0.036 | -0.002 | 49.317 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 354 | ILE | 0 | -0.014 | -0.006 | 49.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 355 | GLU | -1 | -0.842 | -0.910 | 52.005 | -5.526 | -5.526 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 356 | VAL | 0 | -0.066 | -0.026 | 52.351 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 357 | TYR | 0 | 0.003 | -0.017 | 54.708 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 358 | THR | 0 | -0.070 | -0.066 | 55.768 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 359 | ARG | 1 | 0.867 | 0.928 | 53.706 | 5.561 | 5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 360 | PRO | 0 | 0.015 | 0.023 | 57.784 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 361 | SER | 0 | -0.050 | -0.037 | 60.429 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 362 | ARG | 1 | 0.728 | 0.857 | 63.036 | 4.632 | 4.632 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 363 | PRO | 0 | 0.050 | 0.020 | 62.336 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 364 | GLY | 0 | -0.023 | -0.012 | 62.321 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 365 | LEU | 0 | -0.048 | -0.012 | 58.685 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 366 | VAL | 0 | -0.029 | -0.006 | 56.013 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 367 | PRO | 0 | -0.006 | 0.021 | 53.873 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 368 | LYS | 1 | 0.907 | 0.922 | 56.653 | 5.283 | 5.283 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 369 | LEU | 0 | 0.004 | 0.001 | 51.580 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 370 | GLN | 0 | -0.086 | -0.052 | 53.138 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 371 | GLY | 0 | 0.049 | 0.025 | 52.102 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 372 | PRO | 0 | -0.010 | -0.002 | 51.415 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 373 | PHE | 0 | -0.049 | -0.052 | 49.065 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 374 | ASP | -1 | -0.876 | -0.924 | 50.142 | -5.960 | -5.960 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 375 | PHE | 0 | -0.031 | -0.017 | 45.601 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 376 | ASP | -1 | -0.796 | -0.905 | 49.533 | -5.986 | -5.986 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 377 | LEU | 0 | -0.067 | -0.046 | 48.682 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 378 | ASN | 0 | -0.016 | -0.003 | 46.158 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 379 | PRO | 0 | -0.032 | -0.016 | 42.955 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 380 | GLU | -1 | -0.947 | -0.967 | 46.091 | -6.123 | -6.123 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 381 | ASP | -1 | -0.982 | -0.998 | 46.524 | -6.402 | -6.402 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 382 | GLU | -1 | -0.775 | -0.840 | 42.864 | -7.244 | -7.244 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 383 | GLN | 0 | -0.079 | -0.047 | 41.100 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 384 | ASP | -1 | -0.905 | -0.956 | 42.602 | -6.851 | -6.851 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 385 | ASP | -1 | -0.889 | -0.961 | 37.151 | -8.030 | -8.030 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 386 | GLU | -1 | -0.883 | -0.937 | 38.193 | -7.889 | -7.889 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 387 | VAL | 0 | 0.008 | 0.021 | 39.882 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 388 | GLU | -1 | -0.800 | -0.857 | 38.915 | -7.712 | -7.712 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 389 | LEU | 0 | -0.023 | -0.004 | 38.985 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 390 | LYS | 1 | 0.756 | 0.840 | 34.824 | 8.066 | 8.066 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 391 | ASP | -1 | -0.821 | -0.901 | 33.498 | -8.794 | -8.794 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 392 | ILE | 0 | -0.010 | -0.010 | 36.456 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 393 | TYR | 0 | -0.053 | -0.032 | 35.152 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 394 | VAL | 0 | 0.031 | 0.015 | 37.675 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 395 | ILE | 0 | 0.003 | 0.001 | 36.976 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 396 | GLY | 0 | 0.008 | 0.004 | 40.419 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 397 | GLU | -1 | -0.860 | -0.919 | 43.474 | -6.375 | -6.375 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 398 | LYS | 1 | 0.876 | 0.925 | 41.225 | 7.464 | 7.464 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 399 | PRO | 0 | -0.017 | -0.021 | 46.229 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 400 | ARG | 1 | 0.907 | 0.962 | 48.808 | 6.049 | 6.049 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 421 | ASN | 0 | -0.028 | -0.032 | 41.858 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 422 | GLY | 0 | 0.019 | -0.010 | 41.340 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 423 | LEU | 0 | 0.000 | 0.028 | 42.898 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 424 | SER | 0 | -0.075 | -0.053 | 44.865 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 425 | LEU | 0 | 0.025 | -0.001 | 46.784 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 426 | ASN | 0 | -0.032 | -0.020 | 45.182 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 427 | ILE | 0 | 0.001 | -0.009 | 40.631 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 428 | ILE | 0 | 0.009 | 0.017 | 41.371 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 429 | CYS | 0 | -0.039 | -0.002 | 37.116 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 430 | LEU | 0 | 0.016 | 0.002 | 38.772 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 431 | LEU | 0 | -0.013 | -0.005 | 31.660 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 432 | SER | 0 | 0.048 | 0.006 | 36.111 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 433 | THR | 0 | -0.068 | -0.060 | 34.659 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 434 | SER | 0 | 0.019 | 0.014 | 33.478 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 435 | GLY | 0 | -0.038 | -0.027 | 31.691 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 436 | GLN | 0 | -0.005 | -0.001 | 32.519 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 437 | VAL | 0 | -0.036 | -0.020 | 32.886 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 438 | LYS | 1 | 0.834 | 0.884 | 35.930 | 7.196 | 7.196 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 439 | ILE | 0 | -0.043 | -0.028 | 36.427 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 440 | CYS | 0 | 0.026 | 0.011 | 40.548 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 441 | LEU | 0 | -0.055 | -0.028 | 44.161 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 442 | ASP | -1 | -0.775 | -0.888 | 46.344 | -6.115 | -6.115 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 443 | ILE | 0 | -0.051 | -0.030 | 49.035 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 444 | ASP | -1 | -0.891 | -0.944 | 51.892 | -5.642 | -5.642 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 445 | GLY | 0 | -0.031 | -0.003 | 52.596 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 446 | VAL | 0 | -0.046 | -0.031 | 50.283 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 447 | GLU | -1 | -0.788 | -0.904 | 52.518 | -5.375 | -5.375 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 448 | ALA | 0 | -0.004 | -0.002 | 54.972 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 449 | GLN | 0 | -0.002 | 0.010 | 56.695 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 450 | TRP | 0 | 0.032 | 0.005 | 58.320 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 451 | LEU | 0 | 0.022 | 0.027 | 60.949 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 452 | PRO | 0 | 0.014 | -0.009 | 63.193 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 453 | PRO | 0 | 0.085 | 0.062 | 66.960 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 454 | ARG | 1 | 0.846 | 0.870 | 68.215 | 4.516 | 4.516 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 455 | SER | 0 | -0.041 | -0.012 | 71.939 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 456 | LYS | 1 | 0.779 | 0.886 | 68.737 | 4.603 | 4.603 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 457 | ASN | 0 | 0.000 | -0.005 | 73.126 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 458 | LYS | 1 | 0.937 | 0.969 | 68.928 | 4.478 | 4.478 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 459 | ARG | 1 | 0.963 | 0.968 | 73.591 | 4.214 | 4.214 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 460 | LEU | 0 | 0.012 | 0.001 | 74.055 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 461 | PHE | 0 | -0.025 | -0.011 | 75.250 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 462 | ALA | 0 | -0.015 | 0.002 | 70.817 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 463 | PRO | 0 | 0.028 | 0.010 | 68.276 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 464 | PRO | 0 | -0.009 | 0.005 | 65.445 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 465 | PRO | 0 | -0.050 | -0.032 | 62.402 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 466 | GLU | -1 | -0.927 | -0.960 | 60.687 | -5.082 | -5.082 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 467 | PRO | 0 | -0.006 | 0.010 | 55.706 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 468 | PRO | 0 | -0.021 | 0.001 | 53.603 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 469 | SER | 0 | 0.024 | 0.006 | 52.511 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 470 | LEU | 0 | -0.054 | -0.029 | 46.231 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 471 | LEU | 0 | 0.002 | 0.016 | 48.105 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 472 | THR | 0 | -0.006 | -0.015 | 43.893 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 473 | PHE | 0 | -0.051 | -0.009 | 40.326 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 474 | GLN | 0 | -0.007 | -0.007 | 38.132 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 475 | THR | 0 | 0.030 | 0.005 | 39.041 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 476 | PHE | 0 | -0.045 | -0.021 | 32.504 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 477 | ASP | -1 | -0.850 | -0.905 | 32.568 | -8.823 | -8.823 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 478 | THR | 0 | -0.071 | -0.053 | 28.629 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 479 | LEU | 0 | -0.042 | -0.014 | 27.200 | -0.645 | -0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 480 | LYS | 1 | 0.878 | 0.923 | 23.968 | 12.284 | 12.284 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 481 | PRO | 0 | 0.129 | 0.044 | 29.965 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 482 | ALA | 0 | -0.080 | -0.039 | 28.658 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 483 | GLU | -1 | -0.823 | -0.871 | 24.902 | -12.100 | -12.100 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 484 | VAL | 0 | 0.044 | 0.042 | 28.338 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 485 | THR | 0 | -0.065 | -0.029 | 28.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 486 | PRO | 0 | 0.035 | 0.015 | 31.373 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 487 | ASP | -1 | -0.891 | -0.945 | 32.834 | -8.662 | -8.662 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 488 | GLY | 0 | -0.041 | -0.023 | 31.554 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 489 | TRP | 0 | 0.048 | 0.009 | 30.996 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 490 | PRO | 0 | -0.028 | -0.005 | 29.430 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 491 | MET | 0 | -0.036 | 0.008 | 27.184 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 492 | PHE | 0 | 0.032 | 0.018 | 29.334 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 493 | SER | 0 | -0.072 | -0.053 | 27.657 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 494 | GLU | -1 | -0.842 | -0.917 | 30.101 | -8.787 | -8.787 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 495 | ASP | -1 | -0.761 | -0.822 | 27.425 | -11.482 | -11.482 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 496 | ALA | 0 | -0.057 | -0.037 | 28.526 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 497 | THR | 0 | -0.021 | -0.013 | 28.605 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 498 | SER | 0 | -0.014 | -0.019 | 31.425 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 499 | PRO | 0 | 0.076 | 0.043 | 33.354 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 500 | TYR | 0 | -0.005 | 0.014 | 35.894 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 501 | SER | 0 | -0.018 | -0.011 | 30.453 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 502 | PHE | 0 | -0.015 | -0.003 | 30.325 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 503 | TYR | 0 | -0.055 | -0.058 | 24.750 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 504 | VAL | 0 | 0.040 | 0.024 | 27.315 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 505 | THR | 0 | -0.044 | -0.017 | 23.592 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 506 | HIS | 0 | 0.128 | 0.061 | 24.793 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 507 | PRO | 0 | -0.007 | -0.011 | 23.581 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 508 | ALA | 0 | 0.023 | 0.030 | 22.439 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 509 | GLY | 0 | -0.051 | -0.041 | 20.955 | -0.686 | -0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 510 | ILE | 0 | -0.020 | -0.003 | 19.581 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 511 | THR | 0 | -0.016 | -0.014 | 22.474 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 512 | TYR | 0 | 0.033 | 0.014 | 24.979 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 513 | ILE | 0 | 0.025 | 0.008 | 26.655 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 514 | SER | 0 | -0.036 | -0.028 | 30.368 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 515 | LEU | 0 | 0.050 | 0.026 | 32.574 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 516 | THR | 0 | -0.035 | 0.007 | 33.800 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 517 | PRO | 0 | 0.008 | -0.017 | 35.282 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 518 | TRP | 0 | -0.003 | -0.008 | 38.007 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 519 | VAL | 0 | 0.071 | 0.025 | 38.863 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 520 | PHE | 0 | 0.005 | 0.001 | 37.293 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 521 | ARG | 1 | 0.904 | 0.958 | 39.418 | 7.982 | 7.982 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 522 | LEU | 0 | 0.067 | 0.045 | 44.232 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 523 | GLU | -1 | -0.706 | -0.810 | 45.540 | -6.368 | -6.368 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 524 | SER | 0 | -0.103 | -0.070 | 46.671 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 525 | GLU | -1 | -0.733 | -0.813 | 48.447 | -5.941 | -5.941 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 526 | LEU | 0 | -0.015 | -0.011 | 48.976 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 527 | GLN | 0 | -0.122 | -0.068 | 49.767 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 528 | SER | 0 | -0.051 | -0.032 | 52.971 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 529 | ASP | -1 | -0.956 | -0.972 | 54.244 | -5.472 | -5.472 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 530 | SER | 0 | -0.095 | -0.043 | 56.280 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 531 | GLU | -1 | -0.933 | -0.970 | 57.999 | -5.040 | -5.040 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 532 | ALA | 0 | 0.005 | 0.010 | 60.131 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 533 | GLY | 0 | 0.006 | -0.009 | 57.154 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 534 | THR | 0 | 0.041 | 0.009 | 54.327 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 535 | GLU | -1 | -0.935 | -0.960 | 53.934 | -5.598 | -5.598 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 536 | PHE | 0 | -0.014 | -0.010 | 52.671 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 537 | ARG | 1 | 0.779 | 0.845 | 50.820 | 5.832 | 5.832 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 538 | ILE | 0 | 0.046 | 0.022 | 49.408 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 539 | ASP | -1 | -0.817 | -0.889 | 49.255 | -6.396 | -6.396 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 540 | LEU | 0 | -0.048 | -0.031 | 47.486 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 541 | LEU | 0 | -0.061 | -0.022 | 44.740 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 542 | ALA | 0 | -0.001 | 0.000 | 44.526 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 543 | LYS | 1 | 0.784 | 0.885 | 44.954 | 6.345 | 6.345 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 544 | GLY | 0 | -0.036 | -0.005 | 41.685 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 545 | GLN | 0 | -0.029 | -0.035 | 35.554 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 546 | GLY | 0 | 0.010 | 0.029 | 37.777 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 547 | SER | 0 | -0.010 | -0.006 | 34.812 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 548 | GLU | -1 | -0.886 | -0.902 | 30.458 | -10.227 | -10.227 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 549 | ARG | 1 | 0.848 | 0.902 | 29.256 | 9.410 | 9.410 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 550 | ASP | -1 | -0.885 | -0.933 | 22.917 | -13.368 | -13.368 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 551 | ARG | 1 | 0.663 | 0.804 | 21.866 | 12.283 | 12.283 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 552 | ILE | 0 | 0.041 | 0.032 | 19.383 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 553 | PHE | 0 | -0.002 | -0.010 | 14.515 | -1.077 | -1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 554 | THR | 0 | 0.011 | 0.000 | 17.716 | 1.089 | 1.089 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 555 | GLN | 0 | -0.028 | -0.001 | 17.361 | -1.423 | -1.423 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 556 | THR | 0 | -0.002 | -0.002 | 16.366 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 557 | ARG | 1 | 0.865 | 0.909 | 14.597 | 16.164 | 16.164 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 558 | THR | 0 | 0.005 | 0.010 | 17.403 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 559 | GLN | 0 | 0.024 | 0.007 | 20.050 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 560 | SER | 0 | -0.044 | -0.020 | 19.435 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 561 | PRO | 0 | 0.072 | 0.038 | 21.945 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 562 | LEU | 0 | 0.014 | 0.019 | 18.959 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 563 | ALA | 0 | -0.032 | -0.010 | 21.707 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 564 | ALA | 0 | 0.032 | 0.014 | 22.999 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 565 | ALA | 0 | 0.009 | 0.010 | 23.102 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 566 | THR | 0 | -0.035 | -0.004 | 23.269 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 567 | SER | 0 | -0.008 | -0.011 | 23.481 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 568 | ILE | 0 | -0.058 | -0.054 | 21.544 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 569 | ASP | -1 | -0.835 | -0.906 | 23.870 | -11.635 | -11.635 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 570 | ASP | -1 | -0.827 | -0.941 | 24.196 | -11.739 | -11.739 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 571 | PRO | 0 | -0.015 | 0.008 | 25.196 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 572 | ASP | -1 | -0.904 | -0.950 | 24.115 | -12.186 | -12.186 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 573 | LEU | 0 | -0.171 | -0.096 | 19.475 | -0.971 | -0.971 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 574 | GLY | 0 | -0.012 | -0.010 | 20.070 | -0.930 | -0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 575 | TYR | 0 | 0.009 | 0.007 | 22.354 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 576 | PHE | 0 | -0.033 | -0.041 | 18.733 | -0.806 | -0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 577 | ILE | 0 | 0.022 | 0.030 | 19.780 | 0.687 | 0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 578 | LEU | 0 | -0.029 | -0.016 | 17.995 | -0.922 | -0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 579 | SER | 0 | 0.023 | -0.015 | 18.601 | 0.568 | 0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 580 | ALA | 0 | 0.015 | -0.006 | 17.277 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 581 | THR | 0 | 0.055 | 0.018 | 15.405 | 0.936 | 0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 582 | GLN | 0 | -0.048 | -0.033 | 18.225 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 583 | THR | 0 | -0.082 | -0.062 | 15.174 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 584 | ASP | -1 | -0.826 | -0.872 | 12.492 | -17.357 | -17.357 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 585 | PRO | 0 | -0.009 | 0.011 | 12.474 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 586 | ILE | 0 | -0.057 | -0.025 | 13.225 | -1.141 | -1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 587 | ALA | 0 | -0.011 | -0.024 | 14.110 | 0.896 | 0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 588 | LEU | 0 | -0.015 | -0.002 | 13.992 | -1.495 | -1.495 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 589 | PHE | 0 | -0.018 | -0.023 | 15.336 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 590 | PHE | 0 | -0.033 | -0.019 | 17.789 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 591 | GLU | -1 | -0.917 | -0.944 | 20.528 | -12.068 | -12.068 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 592 | THR | 0 | -0.043 | -0.022 | 17.573 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 593 | PRO | 0 | -0.016 | 0.003 | 20.891 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |