FMODB ID: 49K4N
Calculation Name: 5KHN-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5KHN
Chain ID: B
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 | 860 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -19582520.241776 |
---|---|
FMO2-HF: Nuclear repulsion | 19268678.905951 |
FMO2-HF: Total energy | -313841.335825 |
FMO2-MP2: Total energy | -314769.227776 |
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:MET)
Summations of interaction energy for
fragment #1(B:1:MET)
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. |
-4.198 | -0.541 | 0.234 | -1.339 | -2.553 | 0.002 |
Interaction energy analysis for fragmet #1(B:1:MET)
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 | THR | 0 | 0.044 | 0.020 | 3.812 | -1.868 | -0.052 | -0.005 | -0.792 | -1.019 | 0.001 |
4 | B | 4 | SER | 0 | 0.030 | 0.027 | 3.099 | -1.410 | -0.181 | 0.171 | -0.410 | -0.989 | 0.001 |
5 | B | 5 | LEU | 0 | 0.000 | 0.008 | 4.245 | 0.150 | 0.424 | -0.001 | -0.038 | -0.236 | 0.000 |
6 | B | 6 | ILE | 0 | 0.017 | 0.002 | 5.831 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 7 | VAL | 0 | 0.012 | 0.016 | 8.232 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | ARG | 1 | 0.913 | 0.967 | 7.983 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | LEU | 0 | -0.022 | -0.012 | 9.895 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | VAL | 0 | 0.054 | 0.023 | 12.040 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 11 | ALA | 0 | -0.032 | -0.024 | 13.112 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | TRP | 0 | -0.093 | -0.036 | 14.156 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | SER | 0 | -0.015 | -0.021 | 15.982 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | VAL | 0 | 0.035 | 0.003 | 17.810 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | ARG | 1 | 0.922 | 0.954 | 18.122 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | ARG | 1 | 0.914 | 0.971 | 19.851 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | PRO | 0 | 0.063 | 0.028 | 22.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | VAL | 0 | 0.049 | 0.018 | 23.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | TRP | 0 | 0.002 | 0.009 | 22.475 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | VAL | 0 | 0.028 | 0.018 | 19.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | VAL | 0 | -0.005 | 0.010 | 22.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | VAL | 0 | 0.033 | 0.013 | 26.096 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | LEU | 0 | 0.003 | 0.012 | 22.021 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | SER | 0 | 0.004 | -0.026 | 23.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | LEU | 0 | -0.006 | 0.006 | 25.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 26 | LEU | 0 | 0.005 | 0.007 | 28.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 27 | ILE | 0 | 0.000 | -0.007 | 23.732 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 28 | ALA | 0 | 0.027 | 0.008 | 27.921 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | ALA | 0 | -0.005 | 0.010 | 29.636 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | PHE | 0 | -0.023 | -0.016 | 29.825 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | SER | 0 | 0.000 | 0.004 | 29.189 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | GLY | 0 | 0.054 | 0.016 | 31.327 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | VAL | 0 | 0.021 | 0.001 | 34.382 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | TYR | 0 | -0.042 | -0.014 | 32.898 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | VAL | 0 | 0.022 | 0.000 | 33.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | ALA | 0 | -0.030 | -0.013 | 35.789 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | ARG | 1 | 0.843 | 0.929 | 35.191 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | HIS | 0 | -0.069 | -0.029 | 35.580 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | PHE | 0 | 0.073 | 0.025 | 37.122 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | LYS | 1 | 0.931 | 0.979 | 39.520 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 41 | ILE | 0 | 0.053 | 0.040 | 39.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 42 | ASN | 0 | -0.038 | -0.027 | 40.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 43 | THR | 0 | 0.035 | -0.008 | 42.659 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 44 | ASP | -1 | -0.829 | -0.899 | 45.283 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 45 | ILE | 0 | 0.022 | 0.010 | 43.946 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 46 | SER | 0 | 0.019 | 0.007 | 43.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 47 | LYS | 1 | 0.778 | 0.866 | 36.879 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 48 | LEU | 0 | -0.027 | -0.009 | 38.897 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 49 | VAL | 0 | -0.044 | -0.027 | 38.296 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 50 | ASP | -1 | -0.833 | -0.909 | 37.168 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 51 | ALA | 0 | -0.048 | -0.046 | 40.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 52 | GLU | -1 | -0.860 | -0.929 | 40.871 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 53 | PRO | 0 | 0.046 | 0.018 | 43.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 54 | GLN | 0 | -0.027 | -0.004 | 46.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 55 | TRP | 0 | 0.044 | 0.000 | 47.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 56 | ALA | 0 | 0.021 | 0.026 | 45.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 57 | ALA | 0 | 0.007 | -0.009 | 48.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 58 | LEU | 0 | -0.028 | -0.003 | 51.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 59 | SER | 0 | 0.002 | -0.010 | 50.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 60 | GLN | 0 | 0.002 | -0.003 | 51.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 61 | ALA | 0 | -0.062 | -0.024 | 53.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 62 | VAL | 0 | 0.008 | -0.001 | 56.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 63 | ASP | -1 | -0.820 | -0.909 | 54.668 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 64 | ARG | 1 | 0.871 | 0.928 | 54.917 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 65 | ALA | 0 | -0.023 | 0.000 | 58.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 66 | PHE | 0 | -0.086 | -0.046 | 60.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 67 | PRO | 0 | 0.041 | 0.044 | 58.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 68 | GLN | 0 | -0.083 | -0.057 | 59.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 69 | ARG | 1 | 0.927 | 0.946 | 60.424 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 70 | ASN | 0 | -0.043 | -0.029 | 54.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 71 | GLY | 0 | 0.004 | 0.002 | 57.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 72 | THR | 0 | -0.059 | -0.039 | 58.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 73 | ILE | 0 | -0.086 | -0.033 | 59.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 74 | LEU | 0 | -0.007 | -0.004 | 61.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 75 | ALA | 0 | 0.026 | 0.007 | 63.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 76 | VAL | 0 | -0.020 | -0.013 | 64.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 77 | VAL | 0 | 0.025 | 0.009 | 67.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 78 | GLU | -1 | -0.791 | -0.865 | 67.212 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 79 | ALA | 0 | 0.036 | 0.005 | 71.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 80 | PRO | 0 | -0.042 | -0.024 | 75.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 81 | ALA | 0 | 0.011 | 0.011 | 77.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 82 | PRO | 0 | 0.006 | 0.000 | 77.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 83 | GLU | -1 | -0.694 | -0.830 | 78.686 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 84 | PHE | 0 | 0.017 | -0.003 | 79.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 85 | ALA | 0 | 0.004 | 0.012 | 74.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 86 | THR | 0 | 0.020 | -0.002 | 76.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 87 | ALA | 0 | -0.001 | 0.009 | 77.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 88 | ALA | 0 | 0.002 | -0.004 | 75.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 89 | ALA | 0 | -0.007 | -0.009 | 74.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 90 | HIS | 0 | -0.005 | -0.002 | 75.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 91 | ALA | 0 | -0.020 | -0.002 | 77.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 92 | LEU | 0 | 0.032 | 0.000 | 70.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 93 | THR | 0 | -0.012 | -0.042 | 73.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 94 | GLU | -1 | -0.871 | -0.914 | 74.162 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 95 | SER | 0 | -0.014 | 0.008 | 74.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 96 | LEU | 0 | -0.017 | -0.009 | 68.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 97 | GLN | 0 | 0.011 | -0.008 | 71.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 98 | LYS | 1 | 0.789 | 0.870 | 73.719 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 99 | GLN | 0 | 0.010 | 0.004 | 69.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 100 | ALA | 0 | 0.010 | 0.019 | 69.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 101 | ALA | 0 | -0.006 | 0.003 | 70.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 102 | ALA | 0 | -0.069 | -0.026 | 71.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 103 | GLY | 0 | 0.008 | 0.007 | 68.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 104 | ARG | 1 | 0.847 | 0.914 | 65.915 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 105 | ILE | 0 | -0.026 | -0.020 | 64.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 106 | GLY | 0 | 0.046 | 0.030 | 64.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 107 | PRO | 0 | -0.038 | -0.027 | 66.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 108 | VAL | 0 | 0.020 | 0.006 | 68.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 109 | ALA | 0 | 0.024 | 0.021 | 70.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 110 | GLU | -1 | -0.794 | -0.867 | 70.502 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 111 | PRO | 0 | -0.050 | -0.030 | 68.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 112 | GLY | 0 | 0.006 | 0.004 | 71.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 113 | GLY | 0 | -0.035 | -0.021 | 73.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 114 | GLY | 0 | 0.070 | 0.056 | 76.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 115 | PRO | 0 | 0.009 | -0.023 | 77.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 116 | PHE | 0 | -0.010 | 0.008 | 77.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 117 | PHE | 0 | 0.016 | 0.008 | 74.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 118 | GLU | -1 | -0.867 | -0.915 | 80.098 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 119 | HIS | 0 | -0.033 | -0.014 | 82.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 120 | ASN | 0 | -0.012 | -0.022 | 82.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 121 | GLY | 0 | 0.042 | 0.030 | 81.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 122 | LEU | 0 | -0.010 | -0.024 | 83.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 123 | LEU | 0 | -0.001 | -0.008 | 84.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 124 | PHE | 0 | -0.017 | -0.006 | 77.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 125 | LEU | 0 | -0.061 | 0.002 | 80.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 126 | SER | 0 | 0.022 | 0.002 | 82.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 127 | PRO | 0 | 0.071 | 0.004 | 83.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 128 | GLN | 0 | 0.016 | -0.001 | 87.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 129 | GLN | 0 | 0.053 | 0.046 | 82.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 130 | VAL | 0 | 0.060 | 0.045 | 87.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 131 | ALA | 0 | -0.005 | 0.007 | 88.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 132 | ASP | -1 | -0.891 | -0.938 | 90.685 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 133 | THR | 0 | 0.014 | -0.013 | 88.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 134 | THR | 0 | -0.038 | -0.027 | 91.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 135 | SER | 0 | 0.019 | 0.011 | 93.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 136 | GLN | 0 | -0.087 | -0.044 | 90.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 137 | LEU | 0 | 0.006 | -0.001 | 91.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 138 | ALA | 0 | -0.005 | -0.010 | 95.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 139 | SER | 0 | -0.062 | -0.037 | 98.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 140 | ALA | 0 | 0.013 | 0.009 | 96.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 141 | ARG | 1 | 0.961 | 0.989 | 98.159 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 142 | PRO | 0 | -0.037 | -0.030 | 100.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 143 | LEU | 0 | 0.065 | 0.037 | 95.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 144 | VAL | 0 | 0.029 | 0.008 | 94.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 145 | ASN | 0 | -0.071 | -0.026 | 97.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 146 | GLU | -1 | -0.946 | -0.987 | 100.842 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 147 | LEU | 0 | -0.030 | -0.019 | 94.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 148 | ALA | 0 | -0.009 | 0.000 | 96.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 149 | LYS | 1 | 0.930 | 0.976 | 97.715 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 150 | ASN | 0 | -0.076 | -0.037 | 99.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 151 | PRO | 0 | 0.068 | 0.056 | 93.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 152 | SER | 0 | -0.011 | -0.031 | 94.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 153 | LEU | 0 | -0.012 | -0.009 | 93.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 154 | THR | 0 | 0.019 | 0.004 | 95.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 155 | GLY | 0 | 0.037 | 0.037 | 98.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 156 | LEU | 0 | 0.017 | 0.019 | 93.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 157 | ALA | 0 | 0.011 | 0.012 | 97.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 158 | THR | 0 | -0.013 | -0.006 | 99.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 159 | THR | 0 | 0.010 | 0.009 | 99.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 160 | LEU | 0 | 0.000 | 0.018 | 96.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 161 | SER | 0 | 0.005 | -0.035 | 100.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 162 | THR | 0 | -0.020 | -0.025 | 103.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 163 | THR | 0 | -0.021 | -0.018 | 100.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 164 | LEU | 0 | -0.042 | -0.034 | 100.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 165 | GLY | 0 | -0.005 | 0.010 | 104.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 166 | GLN | 0 | 0.016 | 0.012 | 107.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 167 | PRO | 0 | 0.008 | 0.014 | 105.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 168 | LEU | 0 | -0.027 | -0.007 | 103.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 169 | LEU | 0 | 0.038 | 0.028 | 106.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 170 | THR | 0 | -0.049 | -0.035 | 109.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 171 | GLY | 0 | -0.017 | -0.002 | 107.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 172 | GLN | 0 | -0.051 | -0.022 | 105.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 173 | VAL | 0 | -0.006 | 0.000 | 100.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 174 | LYS | 1 | 0.987 | 0.989 | 100.965 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 175 | LEU | 0 | 0.104 | 0.066 | 98.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 176 | PRO | 0 | -0.025 | -0.030 | 96.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 177 | SER | 0 | -0.063 | -0.033 | 95.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 178 | MET | 0 | 0.041 | 0.025 | 94.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 179 | ALA | 0 | 0.029 | 0.022 | 92.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 180 | LYS | 1 | 0.939 | 0.962 | 87.238 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 181 | LEU | 0 | 0.083 | 0.043 | 89.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 182 | LEU | 0 | 0.033 | 0.015 | 91.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 183 | SER | 0 | -0.009 | 0.004 | 87.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 184 | ARG | 1 | 0.937 | 0.958 | 83.167 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 185 | SER | 0 | -0.011 | -0.002 | 87.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 186 | ALA | 0 | 0.036 | 0.020 | 89.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 187 | ALA | 0 | -0.015 | -0.002 | 84.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 188 | THR | 0 | 0.005 | -0.007 | 84.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 189 | VAL | 0 | -0.014 | -0.007 | 86.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 190 | ASP | -1 | -0.774 | -0.895 | 86.557 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 191 | ASP | -1 | -0.821 | -0.892 | 81.909 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 192 | VAL | 0 | -0.062 | -0.039 | 83.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 193 | LEU | 0 | -0.032 | -0.019 | 85.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 194 | ALA | 0 | -0.019 | 0.006 | 82.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 195 | GLY | 0 | -0.008 | 0.005 | 82.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 196 | LYS | 1 | 0.823 | 0.903 | 77.905 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 197 | PRO | 0 | -0.009 | -0.012 | 75.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 198 | ALA | 0 | 0.000 | 0.003 | 79.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 199 | ALA | 0 | 0.002 | -0.006 | 81.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 200 | PHE | 0 | -0.020 | -0.003 | 83.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 201 | SER | 0 | -0.062 | -0.054 | 81.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 202 | TRP | 0 | 0.055 | 0.014 | 84.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 203 | ARG | 1 | 0.828 | 0.896 | 80.045 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 204 | ALA | 0 | -0.053 | -0.015 | 81.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 205 | LEU | 0 | -0.096 | -0.055 | 83.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 206 | VAL | 0 | -0.025 | -0.006 | 87.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 207 | ASP | -1 | -0.771 | -0.879 | 84.749 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 208 | ASN | 0 | -0.092 | -0.041 | 85.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 209 | ASP | -1 | -0.771 | -0.873 | 79.986 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 210 | ALA | 0 | -0.110 | -0.057 | 79.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 211 | ALA | 0 | 0.015 | 0.019 | 77.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 212 | ARG | 1 | 0.825 | 0.892 | 70.031 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 213 | GLN | 0 | 0.013 | 0.000 | 74.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 214 | PRO | 0 | -0.033 | 0.007 | 70.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 215 | ALA | 0 | 0.029 | 0.018 | 71.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 216 | ARG | 1 | 0.846 | 0.895 | 67.430 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 217 | ALA | 0 | 0.001 | 0.021 | 72.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 218 | PHE | 0 | -0.006 | -0.018 | 68.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 219 | VAL | 0 | 0.035 | 0.025 | 69.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 220 | THR | 0 | -0.041 | -0.028 | 65.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 221 | VAL | 0 | 0.011 | -0.002 | 64.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 222 | GLN | 0 | 0.031 | 0.021 | 63.305 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 223 | PRO | 0 | -0.006 | 0.005 | 59.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 224 | VAL | 0 | -0.030 | -0.003 | 61.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 225 | VAL | 0 | 0.004 | -0.001 | 61.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 226 | ASN | 0 | -0.060 | -0.030 | 60.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 227 | TYR | 0 | 0.072 | 0.029 | 52.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 228 | GLY | 0 | 0.011 | 0.005 | 56.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 229 | ALA | 0 | -0.006 | -0.009 | 58.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 230 | LEU | 0 | -0.008 | 0.004 | 56.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 231 | LYS | 1 | 0.864 | 0.936 | 59.410 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 232 | ALA | 0 | 0.019 | 0.005 | 58.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 233 | GLY | 0 | -0.025 | -0.003 | 60.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 234 | ALA | 0 | 0.042 | 0.016 | 60.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 235 | GLN | 0 | 0.065 | 0.022 | 57.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 236 | THR | 0 | 0.083 | 0.019 | 60.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 237 | SER | 0 | -0.009 | 0.000 | 57.150 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 238 | ASP | -1 | -0.868 | -0.938 | 59.277 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 239 | VAL | 0 | -0.030 | -0.015 | 62.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 240 | ILE | 0 | 0.026 | 0.013 | 64.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 241 | ARG | 1 | 0.804 | 0.900 | 58.945 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 242 | GLU | -1 | -0.917 | -0.961 | 65.693 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 243 | THR | 0 | -0.031 | -0.016 | 68.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 244 | ALA | 0 | 0.061 | 0.033 | 69.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 245 | ARG | 1 | 0.821 | 0.893 | 68.776 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 246 | ALA | 0 | -0.006 | -0.006 | 70.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 247 | LEU | 0 | 0.011 | 0.007 | 73.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 248 | ASP | -1 | -0.838 | -0.899 | 74.849 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 249 | LEU | 0 | -0.028 | -0.019 | 76.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 250 | GLU | -1 | -0.853 | -0.938 | 73.031 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 251 | LYS | 1 | 0.858 | 0.941 | 71.393 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 252 | ARG | 1 | 0.775 | 0.881 | 76.733 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 253 | TYR | 0 | -0.037 | -0.026 | 78.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 254 | GLY | 0 | -0.027 | 0.004 | 77.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 255 | ALA | 0 | -0.014 | -0.022 | 74.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 256 | VAL | 0 | -0.054 | -0.026 | 69.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 257 | VAL | 0 | -0.005 | -0.002 | 66.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 258 | ARG | 1 | 0.810 | 0.896 | 62.270 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 259 | LEU | 0 | -0.015 | -0.003 | 61.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 260 | THR | 0 | -0.011 | -0.026 | 58.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 261 | GLY | 0 | 0.041 | 0.015 | 57.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 262 | GLU | -1 | -0.870 | -0.909 | 53.121 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 263 | GLN | 0 | -0.043 | -0.027 | 52.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 264 | PRO | 0 | 0.026 | -0.002 | 52.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 265 | LEU | 0 | 0.023 | 0.031 | 51.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 266 | ALA | 0 | -0.033 | -0.019 | 48.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 267 | ASP | -1 | -0.873 | -0.941 | 48.429 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 268 | ASP | -1 | -0.726 | -0.807 | 49.717 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 269 | GLU | -1 | -0.781 | -0.863 | 45.653 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 270 | PHE | 0 | 0.002 | -0.001 | 41.465 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 271 | SER | 0 | 0.027 | 0.012 | 46.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 272 | SER | 0 | -0.058 | -0.038 | 47.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 273 | VAL | 0 | -0.058 | -0.031 | 41.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 274 | GLU | -1 | -0.878 | -0.978 | 42.352 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 275 | ASP | -1 | -0.919 | -0.926 | 45.567 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 276 | GLY | 0 | 0.083 | 0.048 | 47.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 277 | ALA | 0 | -0.051 | -0.024 | 42.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 278 | ALA | 0 | 0.012 | 0.002 | 42.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 279 | LEU | 0 | 0.002 | 0.001 | 42.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 280 | ASN | 0 | 0.033 | 0.003 | 40.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 281 | GLY | 0 | 0.044 | 0.042 | 38.502 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 282 | VAL | 0 | -0.018 | -0.018 | 38.225 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 283 | VAL | 0 | 0.007 | 0.004 | 39.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 284 | THR | 0 | 0.007 | -0.002 | 34.850 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 285 | LEU | 0 | -0.016 | -0.011 | 33.733 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 286 | LEU | 0 | -0.013 | -0.006 | 35.535 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 287 | VAL | 0 | 0.007 | 0.013 | 35.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 288 | VAL | 0 | 0.039 | 0.014 | 30.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 289 | PHE | 0 | -0.038 | -0.015 | 32.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 290 | VAL | 0 | 0.005 | 0.000 | 34.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 291 | ILE | 0 | 0.018 | 0.013 | 30.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 292 | LEU | 0 | 0.005 | 0.004 | 27.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 293 | TRP | 0 | -0.038 | -0.020 | 30.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 294 | LEU | 0 | -0.002 | -0.014 | 32.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 295 | ALA | 0 | 0.028 | 0.042 | 27.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 296 | LEU | 0 | -0.041 | -0.043 | 25.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 297 | ARG | 1 | 0.806 | 0.911 | 29.058 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 298 | SER | 0 | -0.008 | -0.021 | 30.344 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 299 | LYS | 1 | 0.898 | 0.945 | 32.061 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 300 | ARG | 1 | 0.917 | 0.961 | 30.858 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 301 | MET | 0 | 0.003 | 0.022 | 26.175 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 302 | ILE | 0 | 0.016 | 0.021 | 28.381 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 303 | ALA | 0 | 0.030 | 0.016 | 30.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 304 | SER | 0 | -0.022 | -0.032 | 26.412 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 305 | VAL | 0 | -0.005 | -0.010 | 24.933 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 306 | LEU | 0 | 0.015 | 0.011 | 27.024 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 307 | VAL | 0 | 0.004 | 0.009 | 27.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 308 | THR | 0 | -0.002 | -0.013 | 23.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 309 | LEU | 0 | -0.018 | 0.014 | 25.415 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 310 | PHE | 0 | 0.029 | 0.000 | 27.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 311 | VAL | 0 | -0.001 | 0.004 | 25.212 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 312 | GLY | 0 | 0.054 | 0.019 | 24.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 313 | LEU | 0 | 0.002 | 0.013 | 25.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 314 | VAL | 0 | 0.002 | 0.003 | 28.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 315 | VAL | 0 | 0.013 | -0.004 | 24.310 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 316 | THR | 0 | -0.024 | -0.010 | 25.270 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 317 | ALA | 0 | 0.006 | 0.005 | 26.755 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 318 | ALA | 0 | -0.033 | -0.013 | 29.564 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 319 | LEU | 0 | -0.007 | -0.007 | 23.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 320 | GLY | 0 | 0.055 | 0.014 | 27.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 321 | LEU | 0 | -0.013 | -0.011 | 29.407 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 322 | ALA | 0 | -0.064 | -0.033 | 29.439 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 323 | MET | 0 | -0.067 | -0.017 | 24.268 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 324 | VAL | 0 | -0.006 | 0.002 | 29.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 325 | GLY | 0 | -0.040 | 0.003 | 32.512 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 326 | SER | 0 | -0.055 | -0.039 | 35.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 327 | LEU | 0 | -0.029 | -0.011 | 34.443 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 328 | ASN | 0 | 0.022 | 0.009 | 35.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 329 | MET | 0 | 0.058 | 0.023 | 37.995 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 330 | ILE | 0 | 0.009 | 0.025 | 35.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 331 | SER | 0 | -0.003 | -0.021 | 33.214 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 332 | VAL | 0 | -0.002 | -0.006 | 33.624 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 333 | ALA | 0 | 0.035 | 0.020 | 34.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 334 | PHE | 0 | -0.003 | -0.008 | 28.942 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 335 | MET | 0 | -0.008 | 0.002 | 29.834 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 336 | VAL | 0 | 0.037 | 0.016 | 31.097 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 337 | LEU | 0 | 0.037 | 0.016 | 28.433 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 338 | PHE | 0 | -0.044 | -0.012 | 24.147 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 339 | VAL | 0 | -0.017 | -0.020 | 26.861 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 340 | GLY | 0 | -0.010 | 0.010 | 28.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 341 | LEU | 0 | -0.001 | -0.017 | 23.959 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 342 | GLY | 0 | 0.008 | 0.013 | 22.633 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 343 | VAL | 0 | -0.022 | -0.014 | 22.788 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 344 | ASP | -1 | -0.742 | -0.828 | 21.953 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 345 | PHE | 0 | 0.015 | 0.004 | 18.044 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 346 | SER | 0 | 0.019 | -0.003 | 19.377 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 347 | ILE | 0 | -0.043 | -0.010 | 21.866 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 348 | GLN | 0 | -0.013 | -0.019 | 18.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 349 | TYR | 0 | 0.006 | -0.026 | 15.775 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 350 | GLY | 0 | 0.015 | 0.014 | 18.881 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 351 | VAL | 0 | -0.019 | -0.027 | 22.436 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 352 | LYS | 1 | 0.851 | 0.920 | 16.192 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 353 | TYR | 0 | 0.065 | 0.013 | 20.273 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 354 | ARG | 1 | 0.793 | 0.912 | 20.999 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 355 | GLU | -1 | -0.837 | -0.918 | 22.484 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 356 | GLU | -1 | -0.774 | -0.854 | 17.270 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 357 | ARG | 1 | 0.846 | 0.921 | 21.716 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 358 | PHE | 0 | -0.077 | -0.053 | 24.263 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 359 | ARG | 1 | 0.865 | 0.928 | 20.130 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 360 | GLY | 0 | -0.022 | 0.013 | 25.444 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 361 | GLU | -1 | -0.897 | -0.948 | 19.378 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 362 | ALA | 0 | 0.026 | 0.006 | 23.288 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 363 | ILE | 0 | -0.041 | -0.041 | 22.760 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 364 | ASP | -1 | -0.884 | -0.954 | 20.695 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 365 | ALA | 0 | -0.004 | 0.012 | 18.518 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 366 | ALA | 0 | 0.081 | 0.049 | 17.759 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 367 | LEU | 0 | -0.055 | -0.022 | 18.257 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 368 | ILE | 0 | 0.030 | 0.020 | 13.069 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 369 | GLY | 0 | 0.051 | 0.043 | 13.385 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 370 | ALA | 0 | 0.051 | 0.031 | 14.213 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 371 | ALA | 0 | -0.021 | -0.011 | 12.206 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 372 | HIS | 0 | -0.050 | -0.050 | 8.909 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 373 | SER | 0 | -0.088 | -0.063 | 9.482 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 374 | MET | 0 | 0.008 | 0.012 | 12.017 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 375 | GLY | 0 | 0.004 | 0.015 | 8.951 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 376 | MET | 0 | -0.019 | -0.014 | 3.170 | -0.390 | -0.052 | 0.069 | -0.099 | -0.309 | 0.000 |
377 | B | 377 | PRO | 0 | 0.016 | 0.006 | 8.383 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 378 | LEU | 0 | 0.057 | 0.027 | 12.127 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 379 | ALA | 0 | 0.010 | 0.032 | 9.622 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 380 | LEU | 0 | -0.009 | 0.013 | 11.271 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 381 | ALA | 0 | 0.017 | 0.005 | 12.715 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 382 | THR | 0 | 0.000 | -0.012 | 14.753 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 383 | THR | 0 | -0.032 | -0.040 | 12.080 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 384 | ALA | 0 | 0.004 | 0.005 | 15.314 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 385 | VAL | 0 | 0.001 | 0.001 | 17.604 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 386 | ALA | 0 | -0.001 | 0.001 | 18.112 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 387 | ALA | 0 | -0.009 | -0.001 | 18.238 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 388 | SER | 0 | 0.022 | -0.007 | 20.199 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 389 | PHE | 0 | -0.038 | 0.004 | 23.146 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 390 | PHE | 0 | -0.013 | -0.019 | 19.132 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 391 | SER | 0 | -0.044 | -0.015 | 24.005 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 392 | PHE | 0 | 0.111 | 0.034 | 25.631 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 393 | ILE | 0 | -0.055 | -0.004 | 25.354 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 394 | PRO | 0 | -0.055 | -0.022 | 26.393 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 395 | THR | 0 | -0.083 | -0.043 | 29.190 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 396 | ALA | 0 | 0.031 | 0.027 | 32.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 397 | TYR | 0 | -0.002 | -0.043 | 34.749 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 398 | ARG | 1 | 0.958 | 0.985 | 33.070 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 399 | GLY | 0 | 0.002 | 0.005 | 34.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 400 | VAL | 0 | -0.006 | -0.008 | 30.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 401 | SER | 0 | -0.007 | -0.008 | 30.030 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 402 | GLU | -1 | -0.812 | -0.886 | 29.540 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 403 | LEU | 0 | 0.010 | 0.012 | 29.154 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 404 | GLY | 0 | 0.007 | -0.002 | 27.126 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 405 | LEU | 0 | -0.006 | -0.005 | 24.895 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 406 | ILE | 0 | 0.017 | 0.017 | 25.155 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 407 | ALA | 0 | 0.006 | -0.001 | 25.638 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 408 | GLY | 0 | 0.011 | 0.013 | 22.252 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 409 | VAL | 0 | -0.024 | -0.032 | 20.806 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 410 | GLY | 0 | 0.047 | 0.021 | 21.169 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 411 | MET | 0 | -0.036 | -0.010 | 19.425 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 412 | PHE | 0 | -0.001 | -0.013 | 13.609 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 413 | VAL | 0 | 0.001 | 0.018 | 17.724 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 414 | ALA | 0 | 0.000 | 0.020 | 20.402 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 415 | LEU | 0 | -0.006 | 0.009 | 12.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 416 | LEU | 0 | 0.016 | 0.002 | 15.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 417 | THR | 0 | -0.038 | -0.020 | 16.935 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 418 | THR | 0 | -0.009 | -0.016 | 18.122 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 419 | LEU | 0 | -0.016 | -0.019 | 12.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 420 | THR | 0 | -0.051 | -0.039 | 15.765 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 421 | LEU | 0 | 0.051 | 0.033 | 18.075 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 422 | LEU | 0 | 0.013 | 0.019 | 20.901 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 423 | PRO | 0 | -0.004 | -0.004 | 17.653 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 424 | ALA | 0 | 0.001 | 0.011 | 20.820 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 425 | LEU | 0 | 0.009 | -0.002 | 22.766 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 426 | LEU | 0 | 0.005 | 0.016 | 22.624 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 427 | ARG | 1 | 0.916 | 0.939 | 22.724 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 428 | LEU | 0 | -0.057 | -0.017 | 25.363 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 429 | PHE | 0 | 0.013 | 0.004 | 28.400 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 430 | ALA | 0 | 0.010 | 0.006 | 28.403 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 431 | PRO | 0 | 0.037 | 0.020 | 28.061 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 432 | PRO | 0 | 0.025 | 0.028 | 30.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 433 | GLY | 0 | 0.036 | 0.019 | 33.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 434 | GLU | -1 | -0.827 | -0.916 | 33.651 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 435 | SER | 0 | 0.054 | 0.028 | 32.699 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 436 | LYS | 1 | 0.788 | 0.868 | 25.823 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 437 | THR | 0 | 0.052 | 0.042 | 30.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 438 | PRO | 0 | -0.004 | 0.008 | 29.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 439 | GLY | 0 | 0.007 | 0.006 | 32.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 440 | PHE | 0 | 0.014 | -0.003 | 31.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 441 | PRO | 0 | 0.023 | 0.016 | 36.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 442 | TRP | 0 | 0.070 | 0.009 | 35.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 443 | LEU | 0 | 0.030 | 0.021 | 33.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 444 | ALA | 0 | -0.048 | -0.008 | 36.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 445 | PRO | 0 | 0.038 | 0.009 | 38.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 446 | VAL | 0 | 0.012 | 0.015 | 36.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 447 | ASP | -1 | -0.712 | -0.859 | 32.773 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 448 | ASP | -1 | -0.853 | -0.881 | 35.586 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 449 | TYR | 0 | -0.006 | -0.002 | 38.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 450 | LEU | 0 | 0.012 | 0.007 | 32.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 451 | ASP | -1 | -0.763 | -0.878 | 31.796 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 452 | ARG | 1 | 0.791 | 0.890 | 34.340 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 453 | HIS | 0 | 0.001 | -0.017 | 37.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 454 | ARG | 1 | 0.899 | 0.933 | 30.416 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 455 | LYS | 1 | 0.930 | 0.974 | 32.520 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 456 | PRO | 0 | 0.039 | 0.017 | 35.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 457 | ILE | 0 | 0.026 | 0.024 | 35.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 458 | LEU | 0 | 0.018 | 0.023 | 30.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 459 | ILE | 0 | -0.015 | -0.007 | 34.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 460 | GLY | 0 | 0.025 | 0.018 | 37.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 461 | THR | 0 | -0.021 | -0.033 | 35.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 462 | LEU | 0 | 0.000 | 0.000 | 33.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 463 | ALA | 0 | -0.006 | -0.004 | 36.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 464 | VAL | 0 | -0.012 | -0.010 | 40.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 465 | VAL | 0 | -0.007 | 0.000 | 35.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 466 | ILE | 0 | -0.038 | -0.020 | 37.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 467 | GLY | 0 | -0.021 | -0.003 | 40.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 468 | ALA | 0 | -0.011 | 0.002 | 41.112 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 469 | LEU | 0 | 0.033 | 0.022 | 38.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 470 | PRO | 0 | -0.026 | -0.027 | 41.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 471 | LEU | 0 | 0.009 | 0.007 | 43.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 472 | LEU | 0 | 0.003 | -0.002 | 38.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 473 | ALA | 0 | -0.043 | -0.010 | 43.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 474 | PHE | 0 | -0.023 | -0.015 | 46.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 475 | LEU | 0 | -0.020 | 0.010 | 39.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 476 | HIS | 0 | -0.034 | -0.018 | 44.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 477 | PHE | 0 | -0.038 | -0.029 | 40.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 478 | ASP | -1 | -0.802 | -0.892 | 44.837 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 479 | PHE | 0 | -0.046 | -0.040 | 44.973 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 480 | ASN | 0 | 0.004 | -0.028 | 47.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 481 | PRO | 0 | -0.012 | -0.020 | 45.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 482 | LEU | 0 | 0.009 | 0.008 | 47.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 483 | HIS | 0 | 0.009 | 0.014 | 48.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 484 | LEU | 0 | -0.054 | -0.018 | 42.371 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 485 | LYS | 1 | 0.838 | 0.907 | 46.223 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 486 | ASP | -1 | -0.806 | -0.916 | 48.764 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 487 | PRO | 0 | -0.052 | -0.024 | 50.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 488 | HIS | 0 | -0.042 | -0.031 | 53.435 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 489 | SER | 0 | -0.031 | -0.019 | 53.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 490 | GLU | -1 | -0.745 | -0.857 | 55.390 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 491 | SER | 0 | -0.004 | -0.020 | 55.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 492 | MET | 0 | 0.022 | 0.022 | 52.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 493 | SER | 0 | 0.002 | 0.010 | 56.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 494 | THR | 0 | -0.063 | -0.053 | 59.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 495 | LEU | 0 | 0.020 | 0.008 | 56.125 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 496 | LEU | 0 | 0.016 | 0.016 | 56.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 497 | ALA | 0 | -0.061 | -0.028 | 59.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 498 | LEU | 0 | -0.006 | -0.021 | 62.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 499 | LYS | 1 | 0.911 | 0.970 | 61.678 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 500 | ASP | -1 | -0.861 | -0.916 | 63.414 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 501 | SER | 0 | -0.051 | -0.031 | 66.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 502 | PRO | 0 | 0.025 | 0.018 | 66.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 503 | GLU | -1 | -0.790 | -0.894 | 67.307 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 504 | ALA | 0 | -0.038 | -0.006 | 64.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 505 | ALA | 0 | -0.007 | -0.001 | 63.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 506 | VAL | 0 | -0.004 | 0.003 | 59.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 507 | ASN | 0 | -0.054 | -0.028 | 58.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 508 | ASP | -1 | -0.727 | -0.833 | 59.133 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 509 | VAL | 0 | -0.128 | -0.062 | 56.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 510 | THR | 0 | -0.028 | -0.029 | 58.196 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 511 | LEU | 0 | 0.045 | 0.011 | 59.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 512 | LEU | 0 | -0.039 | 0.004 | 59.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 513 | ALA | 0 | 0.026 | 0.011 | 61.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 514 | PRO | 0 | -0.007 | -0.011 | 64.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 515 | SER | 0 | 0.018 | 0.014 | 66.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 516 | LEU | 0 | 0.058 | 0.016 | 69.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 517 | ALA | 0 | 0.007 | 0.000 | 71.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 518 | ASP | -1 | -0.904 | -0.952 | 67.696 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 519 | ALA | 0 | 0.017 | 0.003 | 67.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 520 | ASP | -1 | -0.752 | -0.853 | 68.507 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 521 | ALA | 0 | -0.047 | -0.010 | 70.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 522 | ALA | 0 | 0.036 | 0.007 | 65.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 523 | ALA | 0 | -0.022 | -0.014 | 67.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 524 | LYS | 1 | 0.909 | 0.938 | 68.636 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 525 | ARG | 1 | 0.798 | 0.904 | 63.070 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 526 | LEU | 0 | -0.019 | -0.020 | 62.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 527 | ASP | -1 | -0.852 | -0.921 | 66.958 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 528 | ALA | 0 | -0.065 | -0.024 | 69.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 529 | LEU | 0 | -0.038 | -0.009 | 62.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 530 | PRO | 0 | -0.036 | -0.017 | 64.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 531 | GLU | -1 | -0.886 | -0.969 | 61.369 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 532 | VAL | 0 | 0.023 | 0.017 | 63.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 533 | GLY | 0 | -0.067 | -0.037 | 65.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 534 | ARG | 1 | 0.837 | 0.884 | 67.549 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 535 | THR | 0 | -0.015 | -0.013 | 66.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 536 | THR | 0 | -0.009 | 0.001 | 67.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 537 | THR | 0 | -0.004 | -0.019 | 68.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 538 | LEU | 0 | 0.023 | 0.011 | 70.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 539 | SER | 0 | -0.021 | -0.021 | 73.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 540 | THR | 0 | -0.016 | -0.008 | 72.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 541 | PHE | 0 | -0.006 | -0.011 | 71.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 542 | ILE | 0 | -0.002 | 0.006 | 76.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 543 | PRO | 0 | -0.045 | -0.013 | 79.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 544 | ALA | 0 | -0.035 | -0.018 | 80.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 545 | ASP | -1 | -0.906 | -0.958 | 82.534 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 546 | GLN | 0 | 0.035 | 0.006 | 84.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 547 | PRO | 0 | 0.022 | 0.002 | 88.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 548 | GLU | -1 | -0.815 | -0.903 | 90.975 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 549 | LYS | 1 | 0.826 | 0.922 | 88.804 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 550 | ARG | 1 | 0.899 | 0.960 | 89.767 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 551 | ALA | 0 | 0.001 | 0.003 | 92.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 552 | ALA | 0 | 0.005 | 0.003 | 93.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 553 | ILE | 0 | 0.054 | 0.032 | 89.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 554 | ALA | 0 | 0.017 | 0.018 | 94.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 555 | THR | 0 | -0.070 | -0.040 | 96.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 556 | ALA | 0 | 0.044 | 0.038 | 95.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 557 | ALA | 0 | 0.048 | 0.019 | 95.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 558 | SER | 0 | -0.072 | -0.050 | 97.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 559 | THR | 0 | -0.048 | -0.035 | 100.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 560 | LEU | 0 | -0.018 | -0.016 | 96.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 561 | LEU | 0 | 0.012 | 0.019 | 94.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 562 | PRO | 0 | -0.016 | 0.002 | 97.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 563 | ALA | 0 | -0.050 | -0.014 | 99.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 564 | LEU | 0 | 0.030 | 0.005 | 93.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 565 | THR | 0 | -0.036 | -0.020 | 97.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 566 | GLN | 0 | -0.020 | -0.004 | 99.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 567 | PRO | 0 | -0.009 | -0.002 | 100.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 568 | PRO | 0 | 0.015 | -0.007 | 98.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 569 | ALA | 0 | 0.021 | 0.026 | 100.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 570 | PRO | 0 | -0.016 | -0.016 | 100.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 571 | PRO | 0 | 0.001 | 0.006 | 99.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 572 | ALA | 0 | -0.040 | -0.013 | 101.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 573 | THR | 0 | 0.027 | -0.012 | 101.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 574 | ASP | -1 | -0.736 | -0.847 | 98.321 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 575 | ALA | 0 | 0.030 | 0.011 | 101.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 576 | GLN | 0 | 0.050 | 0.034 | 104.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 577 | ARG | 1 | 0.789 | 0.879 | 95.276 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 578 | VAL | 0 | 0.002 | -0.001 | 99.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 579 | ALA | 0 | -0.006 | 0.002 | 101.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 580 | ALA | 0 | 0.010 | 0.006 | 101.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 581 | LEU | 0 | 0.007 | -0.003 | 96.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 582 | LYS | 1 | 0.906 | 0.955 | 99.992 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 583 | ARG | 1 | 0.916 | 0.966 | 102.518 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 584 | ALA | 0 | -0.022 | -0.009 | 99.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 585 | SER | 0 | -0.050 | -0.042 | 99.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 586 | ASP | -1 | -0.851 | -0.914 | 100.629 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 587 | LEU | 0 | 0.028 | 0.010 | 104.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 588 | LEU | 0 | -0.066 | -0.039 | 97.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 589 | GLY | 0 | -0.018 | 0.006 | 101.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 590 | TYR | 0 | -0.004 | -0.003 | 102.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 591 | ALA | 0 | 0.001 | 0.009 | 102.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 592 | ALA | 0 | -0.071 | -0.043 | 100.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 593 | GLU | -1 | -0.957 | -0.988 | 101.847 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 594 | ASP | -1 | -0.886 | -0.938 | 104.973 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 595 | HIS | 0 | -0.098 | -0.054 | 102.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 596 | PRO | 0 | 0.026 | 0.026 | 101.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 597 | GLY | 0 | 0.015 | -0.011 | 99.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 598 | PRO | 0 | -0.025 | -0.021 | 93.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 599 | GLY | 0 | -0.009 | -0.019 | 94.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 600 | ALA | 0 | 0.025 | 0.037 | 96.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 601 | ALA | 0 | 0.022 | 0.014 | 93.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 602 | ALA | 0 | -0.026 | -0.014 | 92.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 603 | ALA | 0 | 0.024 | 0.009 | 93.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 604 | GLN | 0 | 0.053 | 0.019 | 96.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 605 | HIS | 0 | -0.034 | -0.023 | 87.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 606 | LEU | 0 | -0.022 | -0.013 | 92.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 607 | SER | 0 | -0.034 | -0.012 | 94.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 608 | GLN | 0 | 0.073 | 0.039 | 94.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 609 | SER | 0 | -0.021 | -0.017 | 91.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 610 | LEU | 0 | 0.013 | -0.004 | 93.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 611 | ALA | 0 | -0.013 | -0.001 | 95.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 612 | LYS | 1 | 0.837 | 0.914 | 89.865 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 613 | LEU | 0 | 0.000 | 0.011 | 91.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 614 | ALA | 0 | -0.057 | -0.026 | 94.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 615 | ALA | 0 | -0.044 | -0.035 | 96.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 616 | ALA | 0 | 0.019 | 0.026 | 92.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 617 | ASP | -1 | -0.734 | -0.879 | 91.780 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 618 | SER | 0 | -0.086 | -0.047 | 94.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 619 | ALA | 0 | 0.061 | 0.027 | 90.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 620 | THR | 0 | -0.026 | -0.031 | 89.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 621 | ARG | 1 | 0.808 | 0.896 | 90.380 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 622 | ASP | -1 | -0.764 | -0.875 | 91.241 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 623 | ARG | 1 | 0.730 | 0.901 | 81.435 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 624 | ALA | 0 | 0.054 | 0.029 | 87.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 625 | GLU | -1 | -0.785 | -0.898 | 89.704 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 626 | ARG | 1 | 0.863 | 0.897 | 86.430 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 627 | ALA | 0 | 0.055 | 0.043 | 85.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 628 | PHE | 0 | -0.028 | -0.005 | 86.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 629 | ALA | 0 | -0.013 | -0.004 | 89.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 630 | ASP | -1 | -0.795 | -0.889 | 86.770 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 631 | THR | 0 | 0.000 | -0.004 | 84.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 632 | LEU | 0 | -0.011 | 0.006 | 87.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 633 | ARG | 1 | 0.866 | 0.939 | 89.313 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 634 | ILE | 0 | -0.009 | 0.015 | 83.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 635 | ALA | 0 | 0.031 | 0.015 | 86.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 636 | LEU | 0 | -0.014 | -0.012 | 87.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 637 | ASN | 0 | 0.003 | 0.002 | 88.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 638 | GLN | 0 | -0.050 | -0.034 | 81.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 639 | LEU | 0 | -0.013 | -0.003 | 87.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 640 | ALA | 0 | 0.011 | -0.005 | 89.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 641 | ALA | 0 | 0.017 | 0.019 | 87.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 642 | LEU | 0 | 0.024 | 0.019 | 85.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 643 | LEU | 0 | -0.049 | -0.026 | 88.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 644 | GLN | 0 | -0.102 | -0.057 | 90.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 645 | PRO | 0 | 0.009 | 0.002 | 87.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 646 | GLN | 0 | -0.020 | -0.006 | 87.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 647 | GLU | -1 | -0.846 | -0.915 | 87.321 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 648 | ILE | 0 | 0.015 | -0.004 | 83.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 649 | THR | 0 | -0.008 | -0.008 | 82.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 650 | ARG | 1 | 0.941 | 0.970 | 74.632 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 651 | ASP | -1 | -0.920 | -0.965 | 79.034 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 652 | THR | 0 | -0.043 | -0.012 | 81.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 653 | LEU | 0 | -0.006 | 0.013 | 76.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 654 | PRO | 0 | 0.027 | 0.021 | 76.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 655 | PRO | 0 | 0.043 | 0.003 | 74.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 656 | PRO | 0 | -0.003 | -0.003 | 71.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 657 | LEU | 0 | 0.048 | 0.020 | 70.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 658 | VAL | 0 | -0.017 | -0.003 | 71.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 659 | ARG | 1 | 0.893 | 0.946 | 64.236 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 660 | ASP | -1 | -0.784 | -0.896 | 66.484 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 661 | TRP | 0 | -0.021 | -0.013 | 65.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 662 | VAL | 0 | -0.080 | -0.051 | 68.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 663 | ALA | 0 | 0.019 | 0.030 | 65.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 664 | PRO | 0 | -0.022 | -0.020 | 65.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 665 | ASP | -1 | -0.858 | -0.915 | 63.479 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 666 | GLY | 0 | -0.009 | 0.003 | 67.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 667 | LYS | 1 | 0.825 | 0.890 | 61.346 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 668 | ALA | 0 | -0.006 | 0.007 | 66.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 669 | LEU | 0 | -0.032 | -0.008 | 61.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 670 | VAL | 0 | 0.029 | 0.017 | 64.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 671 | GLN | 0 | -0.025 | -0.016 | 63.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 672 | ILE | 0 | -0.011 | -0.007 | 61.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 673 | SER | 0 | -0.037 | -0.035 | 62.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 674 | PRO | 0 | 0.020 | 0.015 | 61.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 675 | LYS | 1 | 0.933 | 0.979 | 64.103 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 676 | VAL | 0 | -0.024 | -0.017 | 65.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 677 | PRO | 0 | 0.029 | 0.026 | 63.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 678 | LYS | 1 | 0.920 | 0.961 | 66.835 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 679 | GLY | 0 | -0.017 | -0.012 | 66.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 680 | VAL | 0 | -0.014 | -0.018 | 62.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 681 | ASP | -1 | -0.838 | -0.891 | 58.555 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 682 | PRO | 0 | -0.032 | -0.010 | 58.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 683 | ASN | 0 | -0.009 | -0.019 | 54.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 684 | ASP | -1 | -0.865 | -0.910 | 53.685 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 685 | ASP | -1 | -0.908 | -0.967 | 51.259 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 686 | THR | 0 | -0.005 | -0.016 | 53.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 687 | MET | 0 | 0.043 | 0.027 | 56.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 688 | LEU | 0 | 0.069 | 0.034 | 55.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 689 | ARG | 1 | 0.881 | 0.922 | 48.057 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 690 | HIS | 0 | -0.016 | 0.011 | 54.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 691 | PHE | 0 | 0.033 | 0.017 | 57.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 692 | ALA | 0 | -0.018 | -0.008 | 53.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 693 | THR | 0 | -0.057 | -0.057 | 52.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 694 | ALA | 0 | 0.028 | 0.023 | 55.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 695 | VAL | 0 | 0.053 | 0.018 | 58.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 696 | LYS | 1 | 0.764 | 0.883 | 52.223 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 697 | ALA | 0 | -0.028 | -0.013 | 56.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 698 | ALA | 0 | -0.028 | 0.003 | 57.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 699 | GLU | -1 | -0.819 | -0.911 | 59.726 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 700 | PRO | 0 | 0.025 | 0.018 | 55.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | B | 701 | GLY | 0 | 0.002 | 0.006 | 55.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 702 | ALA | 0 | 0.031 | 0.019 | 57.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 703 | ILE | 0 | -0.011 | -0.014 | 51.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 704 | GLY | 0 | 0.044 | 0.029 | 54.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 705 | GLY | 0 | 0.099 | 0.074 | 53.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 706 | PRO | 0 | 0.004 | -0.004 | 53.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 707 | ILE | 0 | 0.011 | 0.015 | 52.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 708 | SER | 0 | -0.032 | -0.033 | 50.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 709 | ILE | 0 | 0.004 | 0.010 | 48.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 710 | LEU | 0 | 0.020 | 0.016 | 47.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 711 | HIS | 1 | 0.881 | 0.945 | 43.921 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 712 | SER | 0 | 0.021 | 0.001 | 43.750 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 713 | ALA | 0 | 0.016 | 0.010 | 42.967 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 714 | ASN | 0 | 0.007 | -0.008 | 42.396 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 715 | THR | 0 | -0.002 | 0.007 | 39.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 716 | ILE | 0 | 0.000 | 0.014 | 38.156 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 717 | ILE | 0 | -0.006 | 0.001 | 37.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 718 | SER | 0 | -0.017 | -0.015 | 36.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 719 | ALA | 0 | -0.021 | -0.008 | 34.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 720 | PHE | 0 | 0.031 | -0.002 | 32.835 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 721 | LEU | 0 | -0.013 | -0.001 | 32.264 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 722 | HIS | 0 | 0.012 | 0.005 | 30.877 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 723 | ALA | 0 | 0.042 | 0.036 | 28.360 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 724 | ALA | 0 | 0.004 | 0.000 | 27.374 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 725 | LEU | 0 | 0.010 | 0.008 | 27.180 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 726 | TRP | 0 | 0.014 | -0.006 | 24.753 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 727 | SER | 0 | 0.005 | 0.010 | 22.957 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 728 | ILE | 0 | 0.023 | 0.014 | 21.825 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 729 | ILE | 0 | 0.002 | 0.019 | 21.310 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 730 | SER | 0 | -0.012 | -0.019 | 18.812 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 731 | ILE | 0 | -0.004 | -0.001 | 17.172 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 732 | THR | 0 | -0.024 | -0.026 | 16.866 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 733 | ILE | 0 | 0.006 | 0.002 | 14.754 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 734 | LEU | 0 | 0.002 | 0.014 | 11.604 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 735 | LEU | 0 | -0.010 | -0.002 | 12.031 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 736 | TRP | 0 | 0.044 | 0.010 | 12.739 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 737 | ILE | 0 | -0.054 | -0.018 | 8.350 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 738 | THR | 0 | -0.055 | -0.030 | 8.015 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 739 | LEU | 0 | -0.010 | -0.008 | 8.807 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 740 | ARG | 1 | 0.919 | 0.977 | 7.447 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 741 | ARG | 1 | 0.896 | 0.924 | 11.086 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 742 | PHE | 0 | 0.087 | 0.050 | 14.902 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 743 | GLY | 0 | 0.037 | 0.018 | 18.084 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 744 | ASP | -1 | -0.896 | -0.935 | 15.440 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 745 | VAL | 0 | -0.002 | 0.006 | 15.427 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 746 | LEU | 0 | 0.007 | -0.001 | 17.792 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 747 | ARG | 1 | 0.814 | 0.893 | 18.751 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 748 | THR | 0 | 0.029 | 0.010 | 18.342 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | B | 749 | LEU | 0 | -0.003 | 0.001 | 21.249 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 750 | VAL | 0 | 0.038 | 0.021 | 23.234 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 751 | PRO | 0 | 0.020 | 0.006 | 24.113 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 752 | LEU | 0 | -0.040 | 0.003 | 22.277 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 753 | LEU | 0 | 0.020 | 0.021 | 26.228 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 754 | VAL | 0 | 0.003 | 0.003 | 29.219 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 755 | SER | 0 | -0.029 | -0.039 | 28.334 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | B | 756 | GLY | 0 | 0.009 | 0.006 | 30.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | B | 757 | ILE | 0 | 0.017 | 0.021 | 31.664 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | B | 758 | VAL | 0 | 0.046 | 0.025 | 34.166 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | B | 759 | THR | 0 | -0.059 | -0.040 | 32.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | B | 760 | LEU | 0 | 0.035 | 0.025 | 35.711 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | B | 761 | GLU | -1 | -0.806 | -0.929 | 38.292 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | B | 762 | MET | 0 | -0.028 | -0.023 | 38.594 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | B | 763 | CYS | 0 | -0.061 | -0.027 | 38.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | B | 764 | VAL | 0 | -0.004 | 0.018 | 41.615 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | B | 765 | VAL | 0 | -0.036 | -0.022 | 43.542 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | B | 766 | LEU | 0 | -0.079 | -0.044 | 41.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | B | 767 | GLY | 0 | -0.012 | 0.014 | 45.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | B | 768 | MET | 0 | -0.093 | -0.060 | 39.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | B | 769 | SER | 0 | 0.018 | 0.011 | 43.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | B | 770 | LEU | 0 | -0.034 | -0.003 | 38.562 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | B | 771 | ASN | 0 | 0.071 | 0.027 | 40.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | B | 772 | PHE | 0 | 0.045 | 0.005 | 39.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | B | 773 | ALA | 0 | 0.032 | 0.042 | 38.148 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | B | 774 | ASN | 0 | -0.002 | -0.016 | 37.038 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | B | 775 | ILE | 0 | 0.032 | 0.007 | 35.477 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | B | 776 | ILE | 0 | -0.011 | 0.004 | 32.155 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | B | 777 | ALA | 0 | 0.010 | -0.001 | 31.390 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | B | 778 | LEU | 0 | -0.007 | 0.002 | 30.374 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | B | 779 | PRO | 0 | -0.013 | -0.008 | 28.082 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | B | 780 | LEU | 0 | 0.025 | 0.024 | 26.276 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | B | 781 | MET | 0 | -0.017 | -0.003 | 25.614 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | B | 782 | LEU | 0 | -0.026 | 0.011 | 23.796 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | B | 783 | GLY | 0 | 0.046 | 0.010 | 20.839 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | B | 784 | VAL | 0 | 0.008 | -0.006 | 21.016 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | B | 785 | GLY | 0 | 0.033 | 0.020 | 22.995 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | B | 786 | VAL | 0 | -0.025 | -0.011 | 18.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | B | 787 | ALA | 0 | 0.009 | 0.010 | 18.298 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | B | 788 | PHE | 0 | 0.034 | 0.006 | 19.350 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | B | 789 | LYS | 1 | 0.859 | 0.948 | 20.489 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | B | 790 | VAL | 0 | -0.033 | -0.009 | 14.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | B | 791 | TYR | 0 | 0.015 | -0.007 | 17.403 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | B | 792 | PHE | 0 | 0.025 | 0.004 | 19.577 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | B | 793 | VAL | 0 | -0.016 | 0.005 | 16.059 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | B | 794 | MET | 0 | -0.068 | -0.019 | 15.418 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | B | 795 | ALA | 0 | 0.024 | 0.006 | 17.935 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | B | 796 | TRP | 0 | -0.049 | -0.026 | 21.299 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | B | 797 | ARG | 1 | 0.851 | 0.914 | 13.861 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | B | 798 | ALA | 0 | 0.022 | 0.013 | 19.903 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | B | 799 | GLY | 0 | 0.026 | 0.014 | 22.601 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | B | 800 | GLN | 0 | -0.050 | -0.026 | 22.028 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | B | 801 | THR | 0 | -0.044 | -0.032 | 25.577 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | B | 802 | GLY | 0 | 0.016 | 0.013 | 29.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | B | 803 | LEU | 0 | 0.039 | 0.018 | 27.230 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | B | 804 | LEU | 0 | 0.037 | 0.018 | 28.247 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | B | 805 | HIS | 1 | 0.807 | 0.880 | 30.510 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | B | 806 | SER | 0 | -0.047 | -0.023 | 25.516 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | B | 807 | SER | 0 | 0.000 | -0.023 | 25.559 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | B | 808 | LEU | 0 | -0.040 | 0.011 | 26.639 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | B | 809 | THR | 0 | -0.012 | -0.022 | 26.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | B | 810 | HIS | 0 | -0.032 | -0.006 | 21.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | B | 811 | ALA | 0 | 0.031 | 0.018 | 22.372 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | B | 812 | VAL | 0 | 0.008 | 0.006 | 22.480 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | B | 813 | LEU | 0 | 0.033 | 0.009 | 24.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | B | 814 | PHE | 0 | 0.010 | 0.008 | 27.464 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | B | 815 | SER | 0 | -0.012 | -0.023 | 23.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | B | 816 | ALA | 0 | -0.005 | 0.002 | 25.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | B | 817 | ALA | 0 | 0.009 | 0.005 | 28.156 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | B | 818 | THR | 0 | -0.041 | -0.015 | 27.519 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | B | 819 | THR | 0 | 0.005 | -0.031 | 25.769 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | B | 820 | ALA | 0 | -0.009 | -0.009 | 28.717 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | B | 821 | THR | 0 | -0.040 | -0.027 | 32.123 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | B | 822 | ALA | 0 | -0.004 | 0.005 | 30.920 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | B | 823 | PHE | 0 | 0.019 | -0.008 | 28.524 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | B | 824 | GLY | 0 | 0.031 | 0.015 | 34.254 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | B | 825 | SER | 0 | -0.030 | -0.023 | 36.105 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | B | 826 | LEU | 0 | -0.007 | -0.003 | 33.477 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | B | 827 | TRP | 0 | -0.014 | -0.011 | 37.827 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | B | 828 | LEU | 0 | -0.029 | -0.009 | 40.255 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | B | 829 | SER | 0 | -0.055 | -0.004 | 41.503 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | B | 830 | HIS | 0 | 0.016 | -0.009 | 43.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | B | 831 | HIS | 0 | -0.058 | -0.015 | 43.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | B | 832 | PRO | 0 | 0.038 | 0.015 | 43.839 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | B | 833 | GLY | 0 | 0.020 | 0.006 | 42.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | B | 834 | THR | 0 | -0.023 | -0.018 | 38.564 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | B | 835 | SER | 0 | 0.015 | 0.014 | 39.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | B | 836 | SER | 0 | 0.013 | 0.003 | 40.702 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | B | 837 | MET | 0 | -0.028 | -0.009 | 34.816 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | B | 838 | GLY | 0 | -0.001 | 0.001 | 36.132 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | B | 839 | LYS | 1 | 0.946 | 0.974 | 36.626 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | B | 840 | LEU | 0 | -0.006 | 0.009 | 34.415 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | B | 841 | LEU | 0 | -0.020 | -0.013 | 30.737 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | B | 842 | ALA | 0 | 0.002 | -0.002 | 32.638 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | B | 843 | LEU | 0 | -0.004 | 0.001 | 34.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | B | 844 | ALA | 0 | 0.038 | 0.005 | 31.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | B | 845 | LEU | 0 | -0.017 | -0.003 | 28.068 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | B | 846 | THR | 0 | -0.007 | -0.016 | 30.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | B | 847 | CYS | 0 | -0.023 | 0.007 | 32.613 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | B | 848 | THR | 0 | 0.017 | -0.006 | 26.209 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | B | 849 | LEU | 0 | -0.084 | -0.033 | 26.914 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | B | 850 | ILE | 0 | 0.014 | 0.007 | 28.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | B | 851 | GLY | 0 | 0.044 | 0.025 | 30.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | B | 852 | ALA | 0 | -0.041 | -0.024 | 25.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | B | 853 | VAL | 0 | -0.029 | -0.014 | 26.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | B | 854 | VAL | 0 | -0.013 | 0.001 | 29.006 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | B | 855 | PHE | 0 | 0.004 | -0.011 | 27.655 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | B | 856 | GLN | 0 | 0.058 | 0.029 | 24.521 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | B | 857 | PRO | 0 | -0.071 | -0.041 | 25.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | B | 858 | VAL | 0 | -0.016 | 0.016 | 24.015 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | B | 859 | LEU | 0 | -0.029 | -0.024 | 18.543 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | B | 860 | MET | 0 | 0.029 | 0.041 | 18.485 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |