![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: YZZR2
Calculation Name: 4S3P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4S3P
Chain ID: A
UniProt ID: P15977
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 691 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -17164743.214185 |
---|---|
FMO2-HF: Nuclear repulsion | 16887681.93954 |
FMO2-HF: Total energy | -277061.274645 |
FMO2-MP2: Total energy | -277861.253444 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025370/ligand_interaction/ligand_F025370.png)
Ligand Interaction
![ligand interaction](./Kdata/F025370/ligand_interaction/ligand_interaction_F025370.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A: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. |
-2.93 | 3.636 | 6.226 | -3.519 | -9.274 | -0.007 |
Interaction energy analysis for fragmet #1(A: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 | A | 3 | SER | 0 | 0.052 | 0.007 | 3.237 | -2.632 | 0.400 | 0.066 | -1.654 | -1.444 | 0.004 |
4 | A | 4 | LYS | 1 | 1.005 | 1.007 | 5.634 | 1.254 | 1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | ARG | 1 | 0.883 | 0.922 | 2.530 | -0.184 | 0.952 | 0.708 | -0.379 | -1.465 | 0.002 |
6 | A | 6 | LEU | 0 | 0.000 | 0.007 | 2.406 | -3.483 | -0.979 | 4.024 | -1.972 | -4.557 | -0.011 |
7 | A | 7 | ASP | -1 | -0.869 | -0.933 | 3.047 | 0.378 | -0.408 | 0.067 | 1.079 | -0.359 | -0.001 |
8 | A | 8 | ASN | 0 | -0.071 | -0.048 | 5.841 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ALA | 0 | 0.004 | 0.008 | 2.304 | -0.287 | -0.200 | 1.358 | -0.487 | -0.958 | -0.001 |
10 | A | 10 | ALA | 0 | 0.030 | 0.010 | 4.258 | 0.279 | 0.416 | -0.001 | -0.046 | -0.091 | 0.000 |
11 | A | 11 | LEU | 0 | -0.006 | -0.002 | 6.925 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | -0.049 | -0.030 | 7.347 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ALA | 0 | -0.002 | 0.008 | 7.671 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.037 | 0.026 | 9.505 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | -0.031 | -0.014 | 8.744 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | SER | 0 | -0.014 | -0.017 | 11.832 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | PRO | 0 | -0.016 | -0.016 | 12.278 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.066 | -0.041 | 13.366 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | TYR | 0 | 0.034 | 0.034 | 16.793 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ILE | 0 | -0.006 | 0.001 | 20.272 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASN | 0 | 0.058 | 0.022 | 22.871 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.058 | 0.028 | 24.657 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | HIS | 0 | -0.015 | -0.007 | 27.226 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | 0.008 | 0.016 | 28.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.846 | 0.922 | 25.367 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | PRO | 0 | 0.010 | -0.004 | 21.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLN | 0 | 0.018 | 0.032 | 18.518 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | SER | 0 | -0.019 | -0.025 | 14.289 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ILE | 0 | -0.015 | 0.009 | 12.049 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | 0.046 | 0.031 | 11.898 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | 0.039 | -0.003 | 6.549 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLU | -1 | -0.756 | -0.855 | 7.127 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | 0.006 | -0.013 | 9.406 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.839 | 0.919 | 7.530 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ARG | 1 | 0.840 | 0.900 | 4.534 | 0.772 | 0.993 | -0.001 | -0.018 | -0.202 | 0.000 |
36 | A | 36 | ARG | 1 | 0.779 | 0.862 | 6.565 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | 0.013 | 0.009 | 10.202 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | -0.045 | -0.030 | 4.334 | -0.101 | 0.134 | 0.005 | -0.042 | -0.198 | 0.000 |
39 | A | 39 | ASP | -1 | -0.874 | -0.926 | 8.264 | 0.926 | 0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | -0.007 | 0.004 | 9.335 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | MET | 0 | -0.048 | 0.009 | 10.701 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | HIS | 1 | 0.807 | 0.894 | 11.987 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLN | 0 | 0.000 | 0.006 | 7.940 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.957 | 0.970 | 12.079 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | THR | 0 | -0.001 | -0.009 | 10.056 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ALA | 0 | 0.027 | 0.020 | 11.850 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | 0.022 | -0.001 | 13.504 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | LYS | 1 | 0.912 | 0.950 | 11.798 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | 0.002 | 0.009 | 17.349 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ALA | 0 | 0.037 | 0.015 | 20.364 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | VAL | 0 | -0.053 | -0.014 | 18.520 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | THR | 0 | 0.001 | -0.008 | 21.232 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | PRO | 0 | 0.048 | 0.019 | 23.774 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | VAL | 0 | 0.008 | 0.015 | 25.947 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PRO | 0 | 0.024 | 0.027 | 22.443 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ASN | 0 | 0.023 | 0.001 | 22.312 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | VAL | 0 | -0.022 | -0.007 | 23.514 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | MET | 0 | -0.005 | -0.004 | 25.124 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | VAL | 0 | 0.023 | 0.022 | 26.893 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | TYR | 0 | -0.012 | -0.026 | 29.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | THR | 0 | -0.008 | -0.008 | 32.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | 0.010 | -0.014 | 34.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | -0.023 | -0.017 | 38.515 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.866 | 0.940 | 34.450 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LYS | 1 | 0.945 | 0.966 | 36.417 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | MET | 0 | 0.013 | 0.021 | 33.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PRO | 0 | -0.016 | 0.010 | 30.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | MET | 0 | 0.035 | 0.035 | 29.082 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | 0.010 | -0.009 | 25.856 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | VAL | 0 | -0.013 | -0.003 | 27.848 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLU | -1 | -0.896 | -0.945 | 22.853 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLY | 0 | 0.019 | 0.012 | 25.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | SER | 0 | -0.087 | -0.050 | 27.342 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.078 | 0.043 | 30.854 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLU | -1 | -0.829 | -0.898 | 33.930 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | TYR | 0 | 0.000 | 0.003 | 29.907 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | -0.011 | 0.005 | 35.126 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | TRP | 0 | -0.025 | -0.026 | 35.381 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | -0.017 | -0.015 | 36.646 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | -0.018 | 0.005 | 35.383 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | THR | 0 | 0.004 | -0.011 | 37.602 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | THR | 0 | -0.003 | -0.019 | 38.010 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.724 | -0.833 | 38.489 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLU | -1 | -0.934 | -0.960 | 40.019 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | 0.004 | 0.010 | 42.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | THR | 0 | -0.050 | -0.028 | 43.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLN | 0 | 0.005 | 0.001 | 42.398 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | TYR | 0 | -0.007 | -0.003 | 40.831 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LYS | 1 | 0.916 | 0.948 | 40.769 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLY | 0 | 0.000 | 0.004 | 40.444 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | HIS | 0 | -0.020 | -0.023 | 38.603 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | VAL | 0 | -0.030 | -0.004 | 33.556 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | 0.008 | -0.014 | 34.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLY | 0 | 0.004 | 0.015 | 30.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLY | 0 | 0.005 | 0.000 | 28.472 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LYS | 1 | 0.821 | 0.910 | 29.516 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ALA | 0 | 0.025 | 0.014 | 30.473 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | PHE | 0 | -0.003 | 0.004 | 32.115 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ASN | 0 | -0.057 | -0.038 | 33.879 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | 0.056 | 0.037 | 32.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PRO | 0 | -0.011 | -0.008 | 36.755 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | THR | 0 | -0.006 | -0.008 | 40.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LYS | 1 | 0.913 | 0.936 | 41.680 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LEU | 0 | 0.039 | 0.041 | 37.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | PRO | 0 | 0.025 | 0.024 | 40.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.757 | -0.866 | 38.477 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLY | 0 | -0.012 | -0.006 | 37.141 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | TYR | 0 | -0.067 | -0.069 | 31.667 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | HIS | 0 | 0.028 | 0.021 | 35.018 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | THR | 0 | 0.000 | -0.002 | 32.845 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.023 | -0.008 | 31.171 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | THR | 0 | -0.003 | -0.005 | 32.276 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.003 | -0.007 | 30.373 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | THR | 0 | -0.010 | -0.016 | 32.742 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLN | 0 | -0.018 | -0.006 | 31.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ASP | -1 | -0.901 | -0.945 | 34.127 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.893 | -0.937 | 34.896 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | GLN | 0 | -0.066 | -0.041 | 30.106 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ARG | 1 | 0.878 | 0.940 | 32.128 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ALA | 0 | 0.004 | 0.011 | 27.561 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | HIS | 0 | 0.011 | -0.013 | 28.211 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | CYS | 0 | -0.047 | -0.005 | 26.974 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ARG | 1 | 0.804 | 0.885 | 28.402 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.020 | -0.020 | 29.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ILE | 0 | 0.024 | 0.016 | 28.834 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | VAL | 0 | -0.047 | -0.020 | 32.314 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ALA | 0 | 0.064 | 0.028 | 33.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | PRO | 0 | -0.031 | 0.016 | 35.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LYS | 1 | 0.831 | 0.898 | 33.368 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ARG | 1 | 0.732 | 0.838 | 36.346 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | CYS | 0 | 0.010 | 0.015 | 36.496 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | TYR | 0 | 0.007 | 0.007 | 38.896 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.816 | -0.891 | 42.462 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | PRO | 0 | 0.054 | 0.026 | 45.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | -0.007 | -0.014 | 48.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.039 | 0.027 | 51.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LEU | 0 | 0.044 | 0.020 | 46.264 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LEU | 0 | -0.019 | -0.004 | 46.624 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ASN | 0 | -0.031 | -0.007 | 50.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LYS | 1 | 0.811 | 0.893 | 48.460 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLN | 0 | 0.003 | 0.022 | 52.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LYS | 1 | 0.778 | 0.890 | 50.573 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | 0.021 | 0.006 | 50.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | TRP | 0 | -0.074 | -0.047 | 51.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | GLY | 0 | 0.089 | 0.047 | 50.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | -0.013 | 0.003 | 50.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | CYS | 0 | -0.056 | -0.020 | 45.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | VAL | 0 | 0.027 | -0.003 | 47.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLN | 0 | 0.093 | 0.073 | 42.039 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | 0.006 | 0.026 | 46.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TYR | 0 | 0.033 | -0.015 | 43.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | -0.066 | -0.039 | 47.919 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LEU | 0 | -0.026 | -0.007 | 50.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ARG | 1 | 0.856 | 0.918 | 53.396 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | SER | 0 | 0.011 | -0.027 | 56.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.891 | -0.932 | 59.586 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LYS | 1 | 0.865 | 0.918 | 60.078 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ASN | 0 | -0.020 | -0.009 | 55.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | TRP | 0 | 0.006 | -0.027 | 54.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLY | 0 | 0.037 | 0.017 | 54.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | -0.070 | -0.027 | 47.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.005 | 0.024 | 51.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ASP | -1 | -0.799 | -0.910 | 49.920 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | PHE | 0 | 0.034 | -0.002 | 45.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.009 | 0.016 | 51.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ASP | -1 | -0.786 | -0.854 | 53.716 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | -0.011 | -0.008 | 48.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LYS | 1 | 0.881 | 0.929 | 52.910 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.008 | 0.005 | 55.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | MET | 0 | -0.038 | -0.019 | 53.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | 0.009 | -0.004 | 51.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | VAL | 0 | 0.047 | 0.037 | 55.333 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASP | -1 | -0.779 | -0.865 | 59.070 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | -0.016 | 0.006 | 53.855 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ALA | 0 | 0.043 | 0.026 | 57.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.790 | 0.878 | 58.338 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ARG | 1 | 0.681 | 0.808 | 59.737 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLY | 0 | -0.023 | -0.005 | 59.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | -0.003 | 0.000 | 55.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | 0.002 | -0.022 | 52.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | PHE | 0 | -0.002 | -0.007 | 47.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | 0.000 | 0.007 | 48.939 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | 0.006 | -0.004 | 45.606 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.024 | -0.006 | 43.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ASN | 0 | 0.012 | 0.006 | 41.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | PRO | 0 | -0.015 | 0.007 | 36.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | -0.013 | -0.003 | 39.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | HIS | 0 | 0.031 | 0.019 | 35.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.026 | 0.030 | 36.789 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | -0.006 | -0.003 | 36.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | TYR | 0 | 0.028 | -0.012 | 33.280 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | PRO | 0 | -0.004 | 0.002 | 39.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | 0.016 | 0.020 | 40.228 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | -0.016 | -0.015 | 37.339 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | PRO | 0 | 0.043 | 0.023 | 40.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | GLU | -1 | -0.755 | -0.843 | 42.520 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | SER | 0 | -0.019 | 0.008 | 36.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.014 | -0.019 | 38.369 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | SER | 0 | -0.025 | -0.006 | 35.077 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PRO | 0 | 0.003 | -0.007 | 36.706 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | TYR | 0 | -0.020 | -0.013 | 33.504 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | SER | 0 | -0.012 | 0.003 | 31.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | PRO | 0 | -0.014 | 0.017 | 32.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | SER | 0 | 0.043 | 0.033 | 31.989 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | SER | 0 | -0.047 | -0.055 | 32.026 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.868 | 0.926 | 27.106 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ARG | 1 | 0.774 | 0.871 | 31.494 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | 0.022 | 0.014 | 35.319 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LEU | 0 | 0.016 | -0.001 | 38.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASN | 0 | 0.001 | -0.003 | 41.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | VAL | 0 | 0.022 | 0.006 | 42.341 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | 0.019 | 0.031 | 45.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | TYR | 0 | -0.016 | -0.029 | 43.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ILE | 0 | 0.034 | 0.027 | 47.809 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASP | -1 | -0.787 | -0.886 | 50.515 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | 0.053 | 0.013 | 53.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ASN | 0 | -0.024 | -0.006 | 55.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ALA | 0 | -0.042 | -0.001 | 56.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | VAL | 0 | -0.004 | 0.003 | 54.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLU | -1 | -0.790 | -0.877 | 57.125 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASP | -1 | -0.751 | -0.892 | 57.934 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | 0.005 | -0.006 | 58.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | HIS | 0 | -0.077 | -0.035 | 59.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.028 | -0.001 | 62.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | SER | 0 | -0.003 | -0.001 | 60.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.909 | -0.962 | 63.027 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLU | -1 | -0.847 | -0.897 | 59.768 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | 0.047 | 0.006 | 60.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLN | 0 | -0.014 | -0.027 | 61.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ALA | 0 | 0.007 | 0.004 | 64.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | TRP | 0 | 0.020 | -0.004 | 57.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TRP | 0 | -0.003 | 0.003 | 59.538 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLN | 0 | -0.018 | -0.011 | 63.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.050 | 0.007 | 63.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | PRO | 0 | 0.013 | 0.000 | 65.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | THR | 0 | 0.030 | 0.005 | 62.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | THR | 0 | 0.013 | 0.025 | 60.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | GLN | 0 | 0.004 | -0.009 | 61.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLN | 0 | -0.038 | -0.016 | 63.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | THR | 0 | -0.044 | -0.037 | 57.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LEU | 0 | -0.012 | 0.001 | 57.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | -0.049 | -0.039 | 59.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLN | 0 | -0.001 | 0.000 | 59.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ALA | 0 | 0.020 | 0.014 | 54.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ARG | 1 | 0.799 | 0.891 | 55.681 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | ASP | -1 | -0.850 | -0.918 | 57.720 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ALA | 0 | -0.001 | 0.011 | 55.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.850 | -0.918 | 55.545 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | TRP | 0 | -0.005 | -0.031 | 48.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | VAL | 0 | -0.011 | -0.005 | 48.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASP | -1 | -0.813 | -0.867 | 48.887 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | TYR | 0 | 0.026 | -0.015 | 44.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | -0.002 | -0.012 | 46.924 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | THR | 0 | -0.034 | -0.042 | 48.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | VAL | 0 | -0.020 | -0.009 | 50.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | THR | 0 | -0.020 | -0.022 | 46.014 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | -0.004 | 0.005 | 49.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | -0.022 | -0.003 | 51.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LYS | 1 | 0.804 | 0.884 | 50.765 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | MET | 0 | 0.004 | -0.002 | 46.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | THR | 0 | -0.028 | -0.016 | 50.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ALA | 0 | -0.016 | -0.009 | 54.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | 0.013 | 0.002 | 50.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ARG | 1 | 0.788 | 0.877 | 48.683 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | MET | 0 | -0.047 | -0.005 | 53.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | -0.002 | 0.016 | 55.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | TRP | 0 | -0.036 | -0.035 | 50.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYS | 1 | 0.803 | 0.876 | 54.754 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLY | 0 | 0.016 | 0.026 | 57.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PHE | 0 | 0.025 | 0.001 | 53.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | -0.011 | -0.015 | 54.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | GLN | 0 | -0.072 | -0.032 | 55.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.678 | 0.821 | 57.721 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASP | -1 | -0.858 | -0.929 | 58.041 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ASP | -1 | -0.783 | -0.874 | 58.648 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.881 | -0.958 | 57.825 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | -0.050 | -0.022 | 55.986 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | MET | 0 | -0.020 | 0.004 | 54.047 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ALA | 0 | -0.030 | -0.014 | 53.187 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ALA | 0 | 0.026 | 0.009 | 51.990 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | PHE | 0 | -0.021 | -0.007 | 47.412 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ARG | 1 | 0.831 | 0.880 | 48.402 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLN | 0 | -0.073 | -0.037 | 47.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | PHE | 0 | 0.030 | 0.013 | 43.475 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | -0.007 | -0.014 | 43.638 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | -0.041 | -0.017 | 42.713 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | GLU | -1 | -0.933 | -0.961 | 42.174 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLN | 0 | -0.066 | -0.028 | 39.689 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | GLY | 0 | 0.026 | 0.026 | 38.172 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASP | -1 | -0.880 | -0.954 | 34.727 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | SER | 0 | -0.039 | -0.014 | 33.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | 0.029 | 0.025 | 34.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | PHE | 0 | -0.017 | -0.008 | 37.194 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | TRP | 0 | 0.045 | -0.001 | 33.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | GLN | 0 | -0.057 | -0.036 | 35.741 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ALA | 0 | 0.029 | 0.015 | 36.890 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ALA | 0 | 0.016 | 0.001 | 37.349 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PHE | 0 | -0.018 | 0.000 | 32.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ASP | -1 | -0.854 | -0.926 | 36.814 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ALA | 0 | -0.005 | -0.008 | 39.956 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | LEU | 0 | -0.045 | -0.009 | 35.925 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | HIS | 0 | -0.004 | -0.010 | 36.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ALA | 0 | 0.000 | -0.009 | 39.039 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLN | 0 | -0.011 | -0.002 | 42.103 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | GLN | 0 | 0.025 | 0.011 | 37.195 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | VAL | 0 | -0.010 | -0.006 | 39.938 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | LYS | 1 | 0.821 | 0.914 | 41.827 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | GLU | -1 | -0.910 | -0.933 | 41.335 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ASP | -1 | -0.851 | -0.933 | 38.534 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.915 | -0.953 | 40.496 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | MET | 0 | -0.035 | -0.008 | 37.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ARG | 1 | 0.736 | 0.865 | 35.838 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | TRP | 0 | 0.008 | -0.020 | 28.897 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | GLY | 0 | 0.033 | 0.006 | 32.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | TRP | 0 | 0.000 | -0.006 | 24.521 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PRO | 0 | -0.033 | -0.006 | 27.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ALA | 0 | -0.023 | 0.002 | 28.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TRP | 0 | -0.019 | 0.002 | 32.180 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | PRO | 0 | 0.054 | 0.025 | 31.950 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | GLU | -1 | -0.898 | -0.954 | 28.046 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | MET | 0 | -0.033 | 0.006 | 30.270 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | TYR | 0 | 0.018 | 0.002 | 32.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | GLN | 0 | -0.050 | -0.020 | 27.559 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ASN | 0 | 0.009 | -0.003 | 28.213 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | VAL | 0 | 0.034 | 0.023 | 29.519 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | ASP | -1 | -0.818 | -0.895 | 30.456 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | SER | 0 | -0.049 | -0.023 | 32.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | PRO | 0 | -0.018 | -0.022 | 33.300 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.831 | -0.924 | 35.251 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | VAL | 0 | 0.008 | 0.010 | 33.936 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ARG | 1 | 0.818 | 0.906 | 34.051 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLN | 0 | 0.013 | -0.001 | 38.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | PHE | 0 | -0.038 | -0.018 | 39.510 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | CYS | 0 | -0.044 | -0.035 | 38.625 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLU | -1 | -0.964 | -0.983 | 41.612 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | GLU | -1 | -0.879 | -0.925 | 44.332 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | HIS | 1 | 0.773 | 0.885 | 43.617 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ARG | 1 | 0.864 | 0.905 | 43.415 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | ASP | -1 | -0.771 | -0.866 | 46.432 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | ASP | -1 | -0.821 | -0.897 | 45.512 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | VAL | 0 | -0.024 | -0.009 | 41.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ASP | -1 | -0.772 | -0.860 | 44.118 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | PHE | 0 | 0.014 | 0.019 | 46.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | TYR | 0 | 0.021 | -0.007 | 42.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | LEU | 0 | -0.027 | -0.014 | 41.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | TRP | 0 | -0.025 | -0.008 | 44.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | LEU | 0 | 0.004 | -0.003 | 45.916 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | GLN | 0 | 0.020 | 0.001 | 41.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | TRP | 0 | 0.015 | 0.022 | 44.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | LEU | 0 | 0.024 | 0.024 | 47.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ALA | 0 | -0.035 | -0.020 | 45.471 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | TYR | 0 | -0.025 | -0.031 | 43.303 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | SER | 0 | 0.019 | -0.003 | 46.314 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | GLN | 0 | -0.023 | -0.018 | 49.967 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | PHE | 0 | -0.012 | 0.002 | 44.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | ALA | 0 | 0.017 | 0.003 | 48.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | ALA | 0 | 0.063 | 0.034 | 49.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | CYS | 0 | -0.116 | -0.049 | 50.369 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | TRP | 0 | 0.013 | 0.009 | 48.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | GLU | -1 | -0.888 | -0.932 | 50.743 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | ILE | 0 | -0.023 | -0.009 | 53.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | SER | 0 | -0.079 | -0.064 | 51.869 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | GLN | 0 | -0.048 | -0.032 | 51.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | GLY | 0 | 0.015 | 0.018 | 54.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | TYR | 0 | -0.073 | -0.042 | 57.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | GLU | -1 | -0.970 | -0.980 | 56.609 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | MET | 0 | -0.061 | 0.006 | 53.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | PRO | 0 | -0.052 | -0.031 | 52.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | ILE | 0 | -0.053 | -0.019 | 46.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | GLY | 0 | 0.070 | 0.021 | 48.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | LEU | 0 | -0.020 | -0.017 | 46.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | TYR | 0 | -0.020 | -0.019 | 40.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | ARG | 1 | 0.904 | 0.955 | 39.431 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | ASP | -1 | -0.785 | -0.895 | 37.364 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | LEU | 0 | -0.045 | -0.009 | 32.028 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | ALA | 0 | 0.046 | 0.023 | 32.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | VAL | 0 | -0.020 | -0.015 | 27.056 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | GLY | 0 | -0.029 | -0.026 | 27.572 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | VAL | 0 | 0.009 | 0.016 | 27.120 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | ALA | 0 | 0.047 | 0.011 | 27.636 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | GLU | -1 | -0.860 | -0.925 | 24.719 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | GLY | 0 | 0.014 | 0.020 | 26.220 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | GLY | 0 | 0.012 | 0.016 | 29.064 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ALA | 0 | 0.064 | 0.020 | 30.215 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | GLU | -1 | -0.759 | -0.850 | 28.542 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | THR | 0 | -0.031 | -0.036 | 25.193 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | TRP | 0 | -0.040 | -0.009 | 26.369 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | CYS | 0 | -0.027 | -0.012 | 28.627 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ASP | -1 | -0.736 | -0.833 | 24.660 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | ARG | 1 | 0.823 | 0.879 | 22.113 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | GLU | -1 | -0.923 | -0.940 | 19.588 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | LEU | 0 | -0.020 | -0.012 | 19.721 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | TYR | 0 | -0.004 | -0.032 | 21.039 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | CYS | 0 | -0.103 | -0.046 | 15.429 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | LEU | 0 | 0.030 | -0.001 | 17.864 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | LYS | 1 | 0.828 | 0.920 | 12.288 | -0.754 | -0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | ALA | 0 | -0.023 | -0.015 | 15.659 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | SER | 0 | 0.004 | 0.006 | 17.600 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | VAL | 0 | -0.023 | -0.009 | 20.378 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | GLY | 0 | 0.031 | 0.012 | 22.698 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | ALA | 0 | -0.041 | -0.016 | 24.543 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | PRO | 0 | 0.015 | 0.013 | 22.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | PRO | 0 | -0.024 | -0.008 | 22.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ASP | -1 | -0.848 | -0.921 | 25.541 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | ILE | 0 | -0.036 | -0.047 | 28.350 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | LEU | 0 | -0.045 | -0.006 | 31.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | GLY | 0 | 0.033 | 0.023 | 30.823 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | PRO | 0 | -0.004 | -0.017 | 28.741 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | LEU | 0 | -0.013 | -0.015 | 26.720 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | GLY | 0 | -0.004 | 0.007 | 25.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | GLN | 0 | -0.024 | -0.009 | 25.626 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ASN | 0 | 0.034 | -0.006 | 22.641 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | TRP | 0 | -0.016 | -0.029 | 25.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | GLY | 0 | 0.042 | 0.037 | 25.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | LEU | 0 | -0.013 | 0.009 | 25.471 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | PRO | 0 | 0.004 | 0.022 | 21.496 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | PRO | 0 | 0.003 | 0.003 | 18.092 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | MET | 0 | 0.014 | 0.020 | 20.196 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | ASP | -1 | -0.690 | -0.846 | 15.635 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | PRO | 0 | 0.012 | 0.008 | 15.163 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | HIS | 0 | -0.012 | -0.005 | 11.820 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | ILE | 0 | -0.024 | 0.005 | 16.239 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | ILE | 0 | 0.007 | 0.000 | 19.256 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | THR | 0 | -0.021 | -0.023 | 18.321 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | ALA | 0 | 0.003 | 0.010 | 18.504 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | ARG | 1 | 0.738 | 0.818 | 20.504 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | ALA | 0 | -0.005 | -0.002 | 23.534 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | TYR | 0 | -0.016 | -0.053 | 23.014 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | GLU | -1 | -0.817 | -0.876 | 25.989 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | PRO | 0 | 0.031 | 0.017 | 24.291 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | PHE | 0 | -0.015 | -0.011 | 26.196 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | ILE | 0 | 0.001 | -0.004 | 28.076 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | GLU | -1 | -0.795 | -0.873 | 30.899 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | LEU | 0 | -0.020 | 0.010 | 28.796 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | LEU | 0 | 0.008 | 0.001 | 31.601 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | ARG | 1 | 0.846 | 0.896 | 34.027 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | ALA | 0 | 0.016 | 0.039 | 35.394 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | ASN | 0 | -0.080 | -0.073 | 34.635 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | MET | 0 | -0.025 | -0.004 | 35.813 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | GLN | 0 | 0.044 | 0.031 | 39.544 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | ASN | 0 | -0.006 | -0.009 | 42.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | CYS | 0 | -0.071 | -0.016 | 42.693 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | GLY | 0 | 0.096 | 0.061 | 44.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | ALA | 0 | -0.062 | -0.050 | 42.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | LEU | 0 | 0.014 | 0.007 | 35.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | ARG | 1 | 0.804 | 0.865 | 35.671 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | ILE | 0 | -0.014 | -0.010 | 31.459 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | ASP | -1 | -0.710 | -0.856 | 31.528 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | HIS | 0 | 0.023 | 0.011 | 25.073 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | VAL | 0 | 0.014 | 0.016 | 28.602 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | MET | 0 | -0.043 | -0.024 | 25.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | SER | 0 | -0.016 | -0.012 | 24.455 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | MET | 0 | -0.015 | -0.001 | 23.483 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | LEU | 0 | -0.043 | -0.014 | 21.892 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | ARG | 1 | 0.884 | 0.945 | 19.762 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | LEU | 0 | 0.033 | 0.035 | 19.836 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | TRP | 0 | -0.071 | -0.022 | 19.094 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | TRP | 0 | 0.015 | -0.002 | 13.907 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | ILE | 0 | 0.012 | -0.001 | 17.456 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | PRO | 0 | -0.005 | 0.000 | 13.521 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | TYR | 0 | -0.059 | -0.055 | 15.829 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | GLY | 0 | 0.012 | 0.001 | 17.947 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | GLU | -1 | -0.863 | -0.893 | 16.115 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | THR | 0 | -0.016 | -0.036 | 19.572 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | ALA | 0 | 0.033 | 0.011 | 20.052 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | ASP | -1 | -0.823 | -0.891 | 20.164 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | GLN | 0 | -0.050 | -0.026 | 15.484 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | GLY | 0 | 0.041 | 0.032 | 15.634 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | ALA | 0 | -0.015 | -0.029 | 14.610 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | TYR | 0 | -0.022 | -0.007 | 16.525 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | VAL | 0 | 0.004 | 0.004 | 13.744 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | HIS | 0 | -0.008 | -0.025 | 15.626 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | TYR | 0 | -0.003 | -0.007 | 17.115 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | PRO | 0 | 0.016 | 0.015 | 19.637 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | VAL | 0 | 0.032 | 0.007 | 21.703 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | ASP | -1 | -0.832 | -0.913 | 24.749 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | ASP | -1 | -0.815 | -0.865 | 24.781 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | LEU | 0 | 0.002 | 0.005 | 23.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | LEU | 0 | 0.006 | -0.008 | 27.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | SER | 0 | -0.071 | -0.041 | 29.802 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | ILE | 0 | 0.002 | -0.002 | 27.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | LEU | 0 | 0.008 | 0.009 | 31.270 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | ALA | 0 | 0.003 | -0.010 | 33.018 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | LEU | 0 | -0.025 | -0.024 | 33.902 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | GLU | -1 | -0.709 | -0.818 | 34.302 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | SER | 0 | 0.014 | -0.003 | 36.835 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | LYS | 1 | 0.799 | 0.866 | 38.795 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | ARG | 1 | 0.768 | 0.849 | 37.918 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | HIS | 0 | -0.004 | -0.007 | 37.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | ARG | 1 | 0.872 | 0.945 | 42.431 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | CYS | 0 | 0.006 | 0.031 | 41.315 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | MET | 0 | -0.054 | 0.017 | 40.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 493 | VAL | 0 | 0.032 | 0.007 | 35.097 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 494 | ILE | 0 | -0.039 | -0.017 | 38.423 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 495 | GLY | 0 | 0.028 | -0.002 | 34.731 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 496 | GLU | -1 | -0.888 | -0.939 | 33.359 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 497 | ASP | -1 | -0.757 | -0.841 | 32.937 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 498 | LEU | 0 | -0.013 | 0.001 | 34.018 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 499 | GLY | 0 | 0.034 | 0.025 | 32.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 500 | THR | 0 | -0.020 | -0.026 | 28.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 501 | VAL | 0 | 0.041 | 0.023 | 28.526 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 502 | PRO | 0 | -0.011 | -0.012 | 25.823 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 503 | VAL | 0 | 0.039 | 0.006 | 29.010 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 504 | GLU | -1 | -0.883 | -0.936 | 25.867 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 505 | ILE | 0 | 0.051 | 0.019 | 25.632 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 506 | VAL | 0 | 0.026 | 0.020 | 29.649 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 507 | GLY | 0 | -0.020 | -0.007 | 32.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 508 | LYS | 1 | 0.812 | 0.904 | 26.087 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 509 | LEU | 0 | 0.049 | 0.042 | 31.001 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 510 | ARG | 1 | 0.985 | 1.005 | 33.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 511 | SER | 0 | -0.009 | -0.026 | 34.533 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 512 | SER | 0 | 0.017 | -0.012 | 33.182 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 513 | GLY | 0 | -0.007 | 0.009 | 35.799 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 514 | VAL | 0 | 0.041 | 0.031 | 33.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 515 | TYR | 0 | -0.101 | -0.068 | 37.218 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 516 | SER | 0 | -0.060 | -0.064 | 37.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 517 | TYR | 0 | 0.059 | 0.014 | 38.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 518 | LYS | 1 | 0.802 | 0.897 | 37.454 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 519 | VAL | 0 | 0.062 | 0.031 | 40.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 520 | LEU | 0 | 0.011 | 0.009 | 43.480 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 521 | TYR | 0 | -0.055 | -0.060 | 43.960 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 522 | PHE | 0 | 0.012 | 0.006 | 39.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 523 | GLU | -1 | -0.831 | -0.881 | 41.562 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 524 | ASN | 0 | -0.080 | -0.051 | 43.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 525 | ASP | -1 | -0.801 | -0.873 | 43.243 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 526 | HIS | 0 | -0.058 | -0.050 | 41.127 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 527 | GLU | -1 | -0.895 | -0.932 | 43.735 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 528 | LYS | 1 | 0.810 | 0.909 | 44.223 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 529 | THR | 0 | -0.064 | -0.056 | 48.169 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 530 | PHE | 0 | -0.013 | -0.010 | 47.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 531 | ARG | 1 | 0.775 | 0.876 | 41.922 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 532 | ALA | 0 | 0.003 | 0.016 | 48.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 533 | PRO | 0 | 0.064 | 0.032 | 50.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 534 | LYS | 1 | 0.901 | 0.934 | 50.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 535 | ALA | 0 | -0.007 | 0.013 | 48.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 536 | TYR | 0 | 0.020 | 0.023 | 45.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 537 | PRO | 0 | -0.008 | 0.002 | 41.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 538 | GLU | -1 | -0.766 | -0.854 | 44.916 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 539 | GLN | 0 | -0.082 | -0.020 | 39.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 540 | SER | 0 | -0.031 | -0.038 | 41.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 541 | MET | 0 | 0.000 | 0.027 | 42.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 542 | ALA | 0 | -0.001 | 0.014 | 43.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 543 | VAL | 0 | 0.032 | 0.012 | 43.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 544 | ALA | 0 | -0.005 | -0.009 | 46.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 545 | ALA | 0 | -0.001 | -0.002 | 44.914 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 546 | THR | 0 | 0.024 | 0.003 | 40.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 547 | HIS | 0 | 0.052 | 0.001 | 38.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 548 | ASP | -1 | -0.848 | -0.894 | 37.780 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 549 | LEU | 0 | -0.070 | -0.027 | 40.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 550 | PRO | 0 | 0.009 | 0.006 | 43.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 551 | THR | 0 | 0.055 | 0.019 | 47.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 552 | LEU | 0 | -0.004 | -0.012 | 50.043 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 553 | ARG | 1 | 0.747 | 0.858 | 52.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 554 | GLY | 0 | 0.058 | 0.030 | 50.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 555 | TYR | 0 | -0.006 | -0.013 | 47.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 556 | TRP | 0 | -0.018 | -0.022 | 50.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 557 | GLU | -1 | -0.825 | -0.924 | 53.405 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 558 | CYS | 0 | -0.022 | 0.010 | 50.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 559 | GLY | 0 | 0.043 | 0.041 | 50.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 560 | ASP | -1 | -0.732 | -0.842 | 45.430 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 561 | LEU | 0 | -0.022 | 0.002 | 44.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 562 | THR | 0 | 0.015 | -0.005 | 46.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 563 | LEU | 0 | 0.001 | 0.017 | 46.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 564 | GLY | 0 | 0.063 | 0.020 | 44.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 565 | LYS | 1 | 0.804 | 0.901 | 44.440 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 566 | THR | 0 | -0.067 | -0.041 | 46.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 567 | LEU | 0 | -0.047 | -0.018 | 44.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 568 | GLY | 0 | -0.010 | 0.000 | 43.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 569 | LEU | 0 | -0.003 | -0.003 | 39.598 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 570 | TYR | 0 | -0.026 | -0.004 | 39.960 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 571 | PRO | 0 | 0.014 | 0.007 | 39.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 572 | ASP | -1 | -0.841 | -0.923 | 40.023 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 573 | GLU | -1 | -0.748 | -0.868 | 42.127 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 574 | VAL | 0 | -0.047 | -0.022 | 43.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 575 | VAL | 0 | 0.024 | 0.004 | 39.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 576 | LEU | 0 | -0.002 | 0.007 | 42.264 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 577 | ARG | 1 | 0.820 | 0.890 | 44.849 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 578 | GLY | 0 | 0.056 | 0.034 | 44.373 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 579 | LEU | 0 | 0.003 | 0.006 | 40.904 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 580 | TYR | 0 | 0.001 | -0.018 | 44.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 581 | GLN | 0 | -0.058 | -0.032 | 47.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 582 | ASP | -1 | -0.830 | -0.898 | 44.355 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 583 | ARG | 1 | 0.797 | 0.864 | 45.159 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 584 | GLU | -1 | -0.799 | -0.903 | 48.721 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 585 | LEU | 0 | -0.043 | -0.011 | 48.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 586 | ALA | 0 | 0.034 | 0.018 | 47.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 587 | LYS | 1 | 0.777 | 0.866 | 49.625 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 588 | GLN | 0 | -0.032 | -0.032 | 52.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 589 | GLY | 0 | 0.081 | 0.046 | 52.004 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 590 | LEU | 0 | -0.024 | 0.004 | 50.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 591 | LEU | 0 | -0.021 | -0.012 | 52.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 592 | ASP | -1 | -0.867 | -0.933 | 56.153 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 593 | ALA | 0 | 0.005 | 0.006 | 53.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 594 | LEU | 0 | -0.029 | -0.025 | 54.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 595 | HIS | 0 | -0.070 | -0.046 | 57.477 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 596 | LYS | 1 | 0.890 | 0.956 | 55.100 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 597 | TYR | 0 | 0.022 | 0.007 | 53.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 598 | GLY | 0 | 0.022 | 0.028 | 58.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 599 | CYS | 0 | -0.031 | 0.005 | 57.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 600 | LEU | 0 | 0.012 | 0.015 | 59.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 601 | PRO | 0 | -0.025 | -0.018 | 62.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 602 | LYS | 1 | 1.013 | 0.990 | 66.210 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 603 | ARG | 1 | 0.962 | 0.981 | 67.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 604 | ALA | 0 | -0.033 | 0.005 | 63.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 605 | GLY | 0 | 0.060 | 0.018 | 64.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 606 | HIS | 1 | 0.904 | 0.940 | 62.186 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 607 | LYS | 1 | 0.916 | 0.955 | 57.741 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 608 | ALA | 0 | 0.069 | 0.031 | 56.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 609 | SER | 0 | 0.047 | 0.032 | 57.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 610 | LEU | 0 | -0.085 | -0.031 | 58.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 611 | MET | 0 | -0.061 | -0.013 | 60.458 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 612 | SER | 0 | 0.056 | 0.055 | 59.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 613 | MET | 0 | -0.019 | 0.007 | 55.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 614 | THR | 0 | 0.005 | -0.002 | 59.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 615 | PRO | 0 | 0.103 | 0.035 | 61.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 616 | THR | 0 | -0.091 | -0.048 | 62.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 617 | LEU | 0 | 0.002 | 0.005 | 57.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 618 | ASN | 0 | 0.014 | -0.008 | 57.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 619 | ARG | 1 | 0.915 | 0.959 | 57.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 620 | GLY | 0 | -0.024 | -0.014 | 58.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 621 | LEU | 0 | 0.038 | 0.001 | 52.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 622 | GLN | 0 | 0.024 | 0.005 | 53.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 623 | ARG | 1 | 0.723 | 0.823 | 54.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 624 | TYR | 0 | 0.033 | -0.012 | 50.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 625 | ILE | 0 | 0.013 | 0.011 | 48.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 626 | ALA | 0 | -0.016 | 0.020 | 51.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 627 | ASP | -1 | -0.833 | -0.916 | 54.267 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 628 | SER | 0 | -0.093 | -0.056 | 49.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 629 | ASN | 0 | 0.001 | -0.013 | 48.585 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 630 | SER | 0 | -0.007 | 0.009 | 45.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 631 | ALA | 0 | 0.022 | 0.015 | 47.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 632 | LEU | 0 | -0.006 | 0.008 | 44.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 633 | LEU | 0 | 0.022 | -0.003 | 47.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 634 | GLY | 0 | 0.025 | -0.003 | 47.355 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 635 | LEU | 0 | -0.044 | -0.032 | 48.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 636 | GLN | 0 | 0.014 | 0.006 | 46.567 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 637 | PRO | 0 | 0.044 | 0.015 | 50.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 638 | GLU | -1 | -0.759 | -0.885 | 49.457 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 639 | ASP | -1 | -0.835 | -0.905 | 50.762 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 640 | TRP | 0 | -0.052 | -0.040 | 54.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 641 | LEU | 0 | -0.015 | -0.005 | 56.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 642 | ASP | -1 | -0.852 | -0.908 | 56.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 643 | MET | 0 | 0.026 | 0.046 | 53.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 644 | ALA | 0 | -0.001 | 0.009 | 53.887 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 645 | GLU | -1 | -0.904 | -0.940 | 50.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 646 | PRO | 0 | 0.020 | 0.024 | 45.527 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 647 | VAL | 0 | -0.010 | 0.002 | 44.313 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 648 | ASN | 0 | -0.006 | -0.022 | 37.976 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 649 | ILE | 0 | 0.016 | 0.014 | 40.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 650 | PRO | 0 | 0.027 | 0.023 | 35.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 651 | GLY | 0 | 0.010 | 0.014 | 34.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 652 | THR | 0 | -0.089 | -0.043 | 35.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 653 | SER | 0 | -0.024 | -0.022 | 35.759 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 654 | TYR | 0 | 0.020 | 0.002 | 37.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 655 | GLN | 0 | 0.043 | 0.030 | 38.485 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 656 | TYR | 0 | 0.014 | -0.017 | 42.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 657 | LYS | 1 | 0.868 | 0.967 | 43.469 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 658 | ASN | 0 | 0.051 | -0.001 | 39.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 659 | TRP | 0 | 0.002 | 0.002 | 37.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 660 | ARG | 1 | 0.819 | 0.896 | 42.272 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 661 | ARG | 1 | 0.788 | 0.881 | 47.193 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 662 | LYS | 1 | 0.801 | 0.913 | 49.664 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 663 | LEU | 0 | 0.001 | -0.004 | 52.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 664 | SER | 0 | 0.006 | -0.010 | 54.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 665 | ALA | 0 | -0.007 | 0.000 | 57.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 666 | THR | 0 | 0.009 | 0.001 | 58.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 667 | LEU | 0 | -0.005 | -0.015 | 55.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 668 | GLU | -1 | -0.805 | -0.904 | 59.516 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 669 | SER | 0 | 0.013 | 0.004 | 63.182 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 670 | MET | 0 | -0.047 | -0.008 | 56.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 671 | PHE | 0 | -0.005 | -0.023 | 57.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 672 | ALA | 0 | 0.012 | 0.016 | 62.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 673 | ASP | -1 | -0.806 | -0.887 | 64.029 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 674 | ASP | -1 | -0.829 | -0.882 | 65.672 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 675 | GLY | 0 | 0.000 | 0.002 | 65.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 676 | VAL | 0 | 0.028 | 0.005 | 59.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 677 | ASN | 0 | -0.033 | -0.023 | 61.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 678 | LYS | 1 | 0.758 | 0.850 | 64.099 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 679 | LEU | 0 | -0.023 | 0.000 | 57.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 680 | LEU | 0 | 0.064 | 0.033 | 56.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 681 | LYS | 1 | 0.975 | 0.997 | 60.278 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 682 | ASP | -1 | -0.847 | -0.878 | 61.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 683 | LEU | 0 | 0.056 | 0.015 | 55.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 684 | ASP | -1 | -0.723 | -0.814 | 57.806 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 685 | ARG | 1 | 0.883 | 0.932 | 58.887 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 686 | ARG | 1 | 0.804 | 0.890 | 57.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 687 | ARG | 1 | 0.791 | 0.885 | 50.533 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 688 | ARG | 1 | 0.827 | 0.882 | 56.611 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 689 | SER | 0 | -0.057 | -0.036 | 59.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 690 | ALA | 0 | -0.057 | -0.016 | 54.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 691 | HIS | 0 | -0.038 | -0.024 | 54.927 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |