FMO DATABASE

FMODB ID: 948Q2

Calculation Name: 1QHM-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1QHM

Chain ID: A

ChEMBL ID:

UniProt ID: P09373

Base Structure: X-ray

Registration Date: 2023-06-22

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

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	611
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-14094007.757401
FMO2-HF: Nuclear repulsion	13848913.426857
FMO2-HF: Total energy	-245094.330544
FMO2-MP2: Total energy	-245800.164022

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:1004:ASN)

Summations of interaction energy for fragment #1(A:1004:ASN)

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.
-13.652	-8.684	4.172	-3.116	-6.025	0.019

Interaction energy analysis for fragmet #1(A:1004:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.007 / q_NPA : -0.010

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

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	1006	LYS	1	0.920	0.955	2.260	-10.935	-8.349	3.611	-2.283	-3.914	0.018
4	A	1007	LEU	0	-0.014	-0.004	2.508	-5.655	-3.623	0.562	-0.686	-1.909	0.001
5	A	1008	ALA	0	-0.042	-0.013	4.037	-0.339	0.011	-0.001	-0.147	-0.202	0.000
6	A	1009	THR	0	0.000	0.011	5.512	0.267	0.267	0.000	0.000	0.000	0.000
7	A	1010	ALA	0	0.060	0.024	7.592	-0.203	-0.203	0.000	0.000	0.000	0.000
8	A	1011	TRP	0	-0.029	-0.024	6.737	-0.080	-0.080	0.000	0.000	0.000	0.000
9	A	1012	GLU	-1	-0.921	-0.950	9.796	-0.199	-0.199	0.000	0.000	0.000	0.000
10	A	1013	GLY	0	-0.005	-0.001	12.250	0.077	0.077	0.000	0.000	0.000	0.000
11	A	1014	PHE	0	-0.030	-0.002	12.151	0.020	0.020	0.000	0.000	0.000	0.000
12	A	1015	THR	0	-0.038	-0.019	13.365	-0.081	-0.081	0.000	0.000	0.000	0.000
13	A	1016	LYS	1	0.953	0.971	10.316	0.640	0.640	0.000	0.000	0.000	0.000
14	A	1017	GLY	0	0.006	-0.011	12.481	0.064	0.064	0.000	0.000	0.000	0.000
15	A	1018	ASP	-1	-0.805	-0.883	12.497	-0.200	-0.200	0.000	0.000	0.000	0.000
16	A	1019	TRP	0	0.009	0.012	10.381	-0.041	-0.041	0.000	0.000	0.000	0.000
17	A	1020	GLN	0	-0.023	0.001	8.272	-0.052	-0.052	0.000	0.000	0.000	0.000
18	A	1021	ASN	0	-0.123	-0.071	8.090	-0.095	-0.095	0.000	0.000	0.000	0.000
19	A	1022	GLU	-1	-0.884	-0.917	10.372	-0.038	-0.038	0.000	0.000	0.000	0.000
20	A	1023	VAL	0	-0.014	-0.013	12.362	0.005	0.005	0.000	0.000	0.000	0.000
21	A	1024	ASN	0	-0.060	-0.044	14.119	0.022	0.022	0.000	0.000	0.000	0.000
22	A	1025	VAL	0	0.066	0.022	15.848	-0.015	-0.015	0.000	0.000	0.000	0.000
23	A	1026	ARG	1	0.895	0.925	17.207	0.008	0.008	0.000	0.000	0.000	0.000
24	A	1027	ASP	-1	-0.796	-0.896	16.683	-0.110	-0.110	0.000	0.000	0.000	0.000
25	A	1028	PHE	0	0.048	0.025	14.206	-0.002	-0.002	0.000	0.000	0.000	0.000
26	A	1029	ILE	0	0.005	0.009	16.705	-0.004	-0.004	0.000	0.000	0.000	0.000
27	A	1030	GLN	0	-0.020	-0.017	20.055	-0.006	-0.006	0.000	0.000	0.000	0.000
28	A	1031	LYS	1	0.750	0.857	16.777	0.116	0.116	0.000	0.000	0.000	0.000
29	A	1032	ASN	0	-0.097	-0.064	16.438	-0.021	-0.021	0.000	0.000	0.000	0.000
30	A	1033	TYR	0	0.016	-0.007	19.457	0.016	0.016	0.000	0.000	0.000	0.000
31	A	1034	THR	0	-0.059	-0.030	22.224	-0.013	-0.013	0.000	0.000	0.000	0.000
32	A	1035	PRO	0	-0.006	0.006	25.259	0.010	0.010	0.000	0.000	0.000	0.000
33	A	1036	TYR	0	-0.076	-0.054	28.538	-0.002	-0.002	0.000	0.000	0.000	0.000
34	A	1037	GLU	-1	-0.926	-0.981	31.434	0.011	0.011	0.000	0.000	0.000	0.000
35	A	1038	GLY	0	-0.007	0.004	34.790	-0.002	-0.002	0.000	0.000	0.000	0.000
36	A	1039	ASP	-1	-0.870	-0.914	36.732	0.038	0.038	0.000	0.000	0.000	0.000
37	A	1040	GLU	-1	-0.816	-0.927	36.959	0.045	0.045	0.000	0.000	0.000	0.000
38	A	1041	SER	0	-0.087	-0.061	38.140	0.004	0.004	0.000	0.000	0.000	0.000
39	A	1042	PHE	0	-0.075	-0.028	31.216	0.002	0.002	0.000	0.000	0.000	0.000
40	A	1043	LEU	0	-0.033	-0.006	33.562	0.007	0.007	0.000	0.000	0.000	0.000
41	A	1044	ALA	0	0.002	0.010	34.166	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	1045	GLY	0	0.022	0.004	36.193	0.000	0.000	0.000	0.000	0.000	0.000
43	A	1046	ALA	0	0.041	0.017	35.760	0.006	0.006	0.000	0.000	0.000	0.000
44	A	1047	THR	0	-0.050	-0.028	32.629	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	1048	GLU	-1	-0.901	-0.948	35.821	0.089	0.089	0.000	0.000	0.000	0.000
46	A	1049	ALA	0	0.026	0.023	32.801	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	1050	THR	0	0.000	-0.005	33.229	0.004	0.004	0.000	0.000	0.000	0.000
48	A	1051	THR	0	0.006	0.000	34.698	-0.004	-0.004	0.000	0.000	0.000	0.000
49	A	1052	THR	0	-0.041	-0.039	37.624	-0.001	-0.001	0.000	0.000	0.000	0.000
50	A	1053	LEU	0	-0.045	-0.015	31.880	-0.002	-0.002	0.000	0.000	0.000	0.000
51	A	1054	TRP	0	0.084	0.023	36.095	0.001	0.001	0.000	0.000	0.000	0.000
52	A	1055	ASP	-1	-0.845	-0.927	37.622	0.069	0.069	0.000	0.000	0.000	0.000
53	A	1056	LYS	1	0.792	0.887	38.349	-0.088	-0.088	0.000	0.000	0.000	0.000
54	A	1057	VAL	0	0.004	-0.010	35.394	-0.002	-0.002	0.000	0.000	0.000	0.000
55	A	1058	MET	0	-0.014	-0.008	38.671	-0.005	-0.005	0.000	0.000	0.000	0.000
56	A	1059	GLU	-1	-0.868	-0.905	41.899	0.073	0.073	0.000	0.000	0.000	0.000
57	A	1060	GLY	0	0.034	0.017	41.499	-0.004	-0.004	0.000	0.000	0.000	0.000
58	A	1061	VAL	0	0.036	0.015	40.560	-0.003	-0.003	0.000	0.000	0.000	0.000
59	A	1062	LYS	1	0.856	0.927	43.128	-0.073	-0.073	0.000	0.000	0.000	0.000
60	A	1063	LEU	0	-0.048	-0.020	45.447	-0.004	-0.004	0.000	0.000	0.000	0.000
61	A	1064	GLU	-1	-0.754	-0.854	41.672	0.072	0.072	0.000	0.000	0.000	0.000
62	A	1065	ASN	0	-0.025	-0.021	45.561	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	1066	ARG	1	0.903	0.964	48.305	-0.056	-0.056	0.000	0.000	0.000	0.000
64	A	1067	THR	0	-0.076	-0.062	48.879	-0.003	-0.003	0.000	0.000	0.000	0.000
65	A	1068	HIS	0	-0.022	-0.002	49.013	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	1069	ALA	0	0.009	0.008	47.045	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	1070	PRO	0	-0.009	-0.006	41.840	0.002	0.002	0.000	0.000	0.000	0.000
68	A	1071	VAL	0	-0.021	0.009	41.172	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	1072	ASP	-1	-0.839	-0.910	40.853	0.071	0.071	0.000	0.000	0.000	0.000
70	A	1073	PHE	0	0.016	-0.006	39.871	0.002	0.002	0.000	0.000	0.000	0.000
71	A	1074	ASP	-1	-0.787	-0.866	36.389	0.089	0.089	0.000	0.000	0.000	0.000
72	A	1075	THR	0	0.004	-0.004	39.712	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	1076	ALA	0	0.039	0.007	40.376	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	1077	VAL	0	-0.008	0.006	33.946	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	1078	ALA	0	-0.030	-0.015	34.467	0.000	0.000	0.000	0.000	0.000	0.000
76	A	1079	SER	0	-0.052	-0.042	30.907	0.006	0.006	0.000	0.000	0.000	0.000
77	A	1080	THR	0	-0.027	-0.032	27.564	-0.005	-0.005	0.000	0.000	0.000	0.000
78	A	1081	ILE	0	0.008	0.006	21.972	0.003	0.003	0.000	0.000	0.000	0.000
79	A	1082	THR	0	-0.022	-0.010	22.057	0.011	0.011	0.000	0.000	0.000	0.000
80	A	1083	SER	0	-0.016	-0.001	25.167	0.000	0.000	0.000	0.000	0.000	0.000
81	A	1084	HIS	0	-0.011	-0.002	28.916	0.004	0.004	0.000	0.000	0.000	0.000
82	A	1085	ASP	-1	-0.856	-0.913	27.780	0.162	0.162	0.000	0.000	0.000	0.000
83	A	1086	ALA	0	-0.028	-0.018	26.037	0.001	0.001	0.000	0.000	0.000	0.000
84	A	1087	GLY	0	-0.011	0.004	27.697	-0.012	-0.012	0.000	0.000	0.000	0.000
85	A	1088	TYR	0	-0.053	-0.045	25.101	0.011	0.011	0.000	0.000	0.000	0.000
86	A	1089	ILE	0	-0.005	-0.004	31.114	-0.011	-0.011	0.000	0.000	0.000	0.000
87	A	1090	ASN	0	-0.018	-0.030	32.412	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	1091	LYS	1	0.976	1.000	26.642	-0.205	-0.205	0.000	0.000	0.000	0.000
89	A	1092	GLN	0	-0.046	-0.020	28.722	0.016	0.016	0.000	0.000	0.000	0.000
90	A	1093	LEU	0	-0.021	-0.003	30.979	-0.003	-0.003	0.000	0.000	0.000	0.000
91	A	1094	GLU	-1	-0.749	-0.867	27.872	0.173	0.173	0.000	0.000	0.000	0.000
92	A	1095	LYS	1	0.852	0.914	25.260	-0.179	-0.179	0.000	0.000	0.000	0.000
93	A	1096	ILE	0	-0.018	0.001	22.566	0.030	0.030	0.000	0.000	0.000	0.000
94	A	1097	VAL	0	-0.024	-0.009	23.243	-0.028	-0.028	0.000	0.000	0.000	0.000
95	A	1098	GLY	0	0.070	0.017	23.988	0.021	0.021	0.000	0.000	0.000	0.000
96	A	1099	LEU	0	0.005	0.015	25.915	-0.012	-0.012	0.000	0.000	0.000	0.000
97	A	1100	GLN	0	0.027	-0.005	28.330	0.007	0.007	0.000	0.000	0.000	0.000
98	A	1101	THR	0	-0.011	-0.005	30.244	0.004	0.004	0.000	0.000	0.000	0.000
99	A	1102	GLU	-1	-0.760	-0.891	31.252	0.116	0.116	0.000	0.000	0.000	0.000
100	A	1103	ALA	0	-0.019	-0.010	32.929	0.003	0.003	0.000	0.000	0.000	0.000
101	A	1104	PRO	0	0.022	-0.001	34.432	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	1105	LEU	0	-0.030	-0.007	35.677	-0.006	-0.006	0.000	0.000	0.000	0.000
103	A	1106	LYS	1	0.751	0.898	36.218	-0.101	-0.101	0.000	0.000	0.000	0.000
104	A	1107	ARG	1	0.793	0.875	36.055	-0.065	-0.065	0.000	0.000	0.000	0.000
105	A	1108	ALA	0	0.049	0.019	33.858	-0.003	-0.003	0.000	0.000	0.000	0.000
106	A	1109	LEU	0	-0.017	0.002	35.889	-0.005	-0.005	0.000	0.000	0.000	0.000
107	A	1110	ILE	0	0.027	0.009	32.586	0.002	0.002	0.000	0.000	0.000	0.000
108	A	1111	PRO	0	-0.001	0.000	35.263	-0.004	-0.004	0.000	0.000	0.000	0.000
109	A	1112	PHE	0	-0.004	-0.004	31.732	-0.006	-0.006	0.000	0.000	0.000	0.000
110	A	1113	GLY	0	0.071	0.034	36.242	-0.004	-0.004	0.000	0.000	0.000	0.000
111	A	1114	GLY	0	0.025	-0.015	38.352	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	1115	ILE	0	-0.010	0.014	41.434	0.002	0.002	0.000	0.000	0.000	0.000
113	A	1116	LYS	1	0.893	0.924	42.854	-0.031	-0.031	0.000	0.000	0.000	0.000
114	A	1117	MET	0	0.011	0.021	42.912	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	1118	ILE	0	0.015	0.021	39.739	0.001	0.001	0.000	0.000	0.000	0.000
116	A	1119	GLU	-1	-0.794	-0.883	43.726	0.038	0.038	0.000	0.000	0.000	0.000
117	A	1120	GLY	0	0.013	0.012	47.203	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	1121	SER	0	0.016	-0.030	44.500	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	1122	CYS	0	-0.113	-0.042	45.183	0.001	0.001	0.000	0.000	0.000	0.000
120	A	1123	LYS	1	0.952	0.977	47.556	-0.036	-0.036	0.000	0.000	0.000	0.000
121	A	1124	ALA	0	-0.010	-0.005	49.370	-0.001	-0.001	0.000	0.000	0.000	0.000
122	A	1125	TYR	0	-0.028	-0.013	45.526	0.000	0.000	0.000	0.000	0.000	0.000
123	A	1126	ASN	0	-0.074	-0.030	49.715	0.000	0.000	0.000	0.000	0.000	0.000
124	A	1127	ARG	1	0.828	0.896	43.285	-0.063	-0.063	0.000	0.000	0.000	0.000
125	A	1128	GLU	-1	-0.950	-0.976	48.402	0.038	0.038	0.000	0.000	0.000	0.000
126	A	1129	LEU	0	-0.016	-0.022	42.528	0.003	0.003	0.000	0.000	0.000	0.000
127	A	1130	ASP	-1	-0.856	-0.923	42.635	0.050	0.050	0.000	0.000	0.000	0.000
128	A	1131	PRO	0	0.018	-0.005	44.351	0.000	0.000	0.000	0.000	0.000	0.000
129	A	1132	MET	0	-0.004	0.003	41.161	-0.003	-0.003	0.000	0.000	0.000	0.000
130	A	1133	ILE	0	0.006	0.007	38.023	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	1134	LYS	1	0.865	0.905	41.298	-0.037	-0.037	0.000	0.000	0.000	0.000
132	A	1135	LYS	1	0.831	0.906	44.014	-0.033	-0.033	0.000	0.000	0.000	0.000
133	A	1136	ILE	0	0.037	0.017	37.479	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	1137	PHE	0	-0.042	-0.026	35.071	-0.001	-0.001	0.000	0.000	0.000	0.000
135	A	1138	THR	0	-0.060	-0.041	40.744	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	1139	GLU	-1	-0.821	-0.867	43.658	0.028	0.028	0.000	0.000	0.000	0.000
137	A	1140	TYR	0	-0.093	-0.061	39.328	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	1141	ARG	1	0.854	0.925	32.175	-0.051	-0.051	0.000	0.000	0.000	0.000
139	A	1142	LYS	1	0.851	0.912	38.370	-0.023	-0.023	0.000	0.000	0.000	0.000
140	A	1143	THR	0	0.026	0.019	38.577	0.001	0.001	0.000	0.000	0.000	0.000
141	A	1144	HIS	0	-0.015	-0.027	37.941	-0.004	-0.004	0.000	0.000	0.000	0.000
142	A	1145	ASN	0	-0.032	-0.013	39.868	-0.003	-0.003	0.000	0.000	0.000	0.000
143	A	1146	GLN	0	-0.028	-0.022	43.260	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	1147	GLY	0	-0.011	-0.016	41.932	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	1148	VAL	0	0.003	-0.003	42.267	-0.002	-0.002	0.000	0.000	0.000	0.000
146	A	1149	PHE	0	-0.012	-0.025	44.788	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	1150	ASP	-1	-0.809	-0.851	46.766	0.022	0.022	0.000	0.000	0.000	0.000
148	A	1151	VAL	0	-0.048	-0.034	45.751	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	1152	TYR	0	-0.064	-0.053	46.506	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	1153	THR	0	0.062	0.038	50.032	0.000	0.000	0.000	0.000	0.000	0.000
151	A	1154	PRO	0	0.037	-0.006	53.379	0.001	0.001	0.000	0.000	0.000	0.000
152	A	1155	ASP	-1	-0.831	-0.887	55.451	0.013	0.013	0.000	0.000	0.000	0.000
153	A	1156	ILE	0	0.035	0.038	49.238	0.001	0.001	0.000	0.000	0.000	0.000
154	A	1157	LEU	0	-0.017	-0.011	52.262	0.001	0.001	0.000	0.000	0.000	0.000
155	A	1158	ARG	1	0.782	0.873	54.562	-0.013	-0.013	0.000	0.000	0.000	0.000
156	A	1159	CYS	0	-0.026	-0.017	53.613	0.000	0.000	0.000	0.000	0.000	0.000
157	A	1160	ARG	1	0.831	0.891	47.824	-0.028	-0.028	0.000	0.000	0.000	0.000
158	A	1161	LYS	1	0.841	0.917	53.382	-0.018	-0.018	0.000	0.000	0.000	0.000
159	A	1162	SER	0	0.007	-0.005	56.670	0.000	0.000	0.000	0.000	0.000	0.000
160	A	1163	GLY	0	0.043	0.035	54.098	0.000	0.000	0.000	0.000	0.000	0.000
161	A	1164	VAL	0	-0.049	-0.021	54.234	0.000	0.000	0.000	0.000	0.000	0.000
162	A	1165	LEU	0	-0.016	-0.003	49.605	0.000	0.000	0.000	0.000	0.000	0.000
163	A	1166	THR	0	-0.017	-0.013	49.703	0.001	0.001	0.000	0.000	0.000	0.000
164	A	1167	GLY	0	0.095	0.043	46.037	0.000	0.000	0.000	0.000	0.000	0.000
165	A	1168	LEU	0	-0.019	-0.012	44.079	0.001	0.001	0.000	0.000	0.000	0.000
166	A	1169	PRO	0	0.032	0.050	39.530	0.001	0.001	0.000	0.000	0.000	0.000
167	A	1170	ASP	-1	-0.747	-0.824	41.025	0.031	0.031	0.000	0.000	0.000	0.000
168	A	1171	ALA	0	0.020	0.004	43.276	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	1172	TYR	0	-0.052	-0.026	39.288	0.002	0.002	0.000	0.000	0.000	0.000
170	A	1173	GLY	0	0.026	0.021	35.938	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	1174	ARG	1	0.739	0.794	32.251	-0.046	-0.046	0.000	0.000	0.000	0.000
172	A	1175	GLY	0	-0.040	-0.025	32.690	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	1176	ARG	1	0.788	0.902	33.172	-0.050	-0.050	0.000	0.000	0.000	0.000
174	A	1177	ILE	0	0.001	0.006	27.323	-0.004	-0.004	0.000	0.000	0.000	0.000
175	A	1178	ILE	0	0.034	0.015	25.894	0.007	0.007	0.000	0.000	0.000	0.000
176	A	1179	GLY	0	0.014	0.008	23.491	-0.005	-0.005	0.000	0.000	0.000	0.000
177	A	1180	ASP	-1	-0.719	-0.851	19.149	0.123	0.123	0.000	0.000	0.000	0.000
178	A	1181	TYR	0	-0.030	-0.024	18.613	0.028	0.028	0.000	0.000	0.000	0.000
179	A	1182	ARG	1	0.761	0.844	17.943	-0.060	-0.060	0.000	0.000	0.000	0.000
180	A	1183	ARG	1	0.777	0.872	14.574	-0.065	-0.065	0.000	0.000	0.000	0.000
181	A	1184	VAL	0	0.002	0.000	13.096	0.071	0.071	0.000	0.000	0.000	0.000
182	A	1185	ALA	0	-0.003	-0.003	12.778	0.149	0.149	0.000	0.000	0.000	0.000
183	A	1186	LEU	0	-0.020	0.006	11.862	0.116	0.116	0.000	0.000	0.000	0.000
184	A	1187	TYR	0	-0.020	-0.032	8.760	0.020	0.020	0.000	0.000	0.000	0.000
185	A	1188	GLY	0	0.019	0.028	7.924	0.367	0.367	0.000	0.000	0.000	0.000
186	A	1189	ILE	0	0.012	-0.021	9.887	-0.165	-0.165	0.000	0.000	0.000	0.000
187	A	1190	ASP	-1	-0.792	-0.896	6.954	0.968	0.968	0.000	0.000	0.000	0.000
188	A	1191	TYR	0	-0.034	-0.008	5.608	-0.355	-0.355	0.000	0.000	0.000	0.000
189	A	1192	LEU	0	0.043	0.019	8.515	-0.183	-0.183	0.000	0.000	0.000	0.000
190	A	1193	MET	0	-0.022	-0.002	11.024	-0.092	-0.092	0.000	0.000	0.000	0.000
191	A	1194	LYS	1	0.947	0.973	6.240	0.490	0.490	0.000	0.000	0.000	0.000
192	A	1195	ASP	-1	-0.841	-0.916	11.197	-0.011	-0.011	0.000	0.000	0.000	0.000
193	A	1196	LYS	1	0.837	0.920	13.173	-0.087	-0.087	0.000	0.000	0.000	0.000
194	A	1197	LEU	0	0.006	0.004	12.864	-0.017	-0.017	0.000	0.000	0.000	0.000
195	A	1198	ALA	0	-0.014	0.008	13.729	-0.013	-0.013	0.000	0.000	0.000	0.000
196	A	1199	GLN	0	-0.013	-0.018	15.753	0.008	0.008	0.000	0.000	0.000	0.000
197	A	1200	PHE	0	0.023	0.024	18.731	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	1201	THR	0	-0.032	-0.032	17.656	-0.003	-0.003	0.000	0.000	0.000	0.000
199	A	1202	SER	0	-0.065	-0.042	19.793	0.003	0.003	0.000	0.000	0.000	0.000
200	A	1203	LEU	0	0.009	0.015	21.399	0.001	0.001	0.000	0.000	0.000	0.000
201	A	1204	GLN	0	-0.045	-0.021	23.162	0.005	0.005	0.000	0.000	0.000	0.000
202	A	1205	ALA	0	0.042	0.021	25.132	0.003	0.003	0.000	0.000	0.000	0.000
203	A	1206	ASP	-1	-0.849	-0.931	27.275	-0.033	-0.033	0.000	0.000	0.000	0.000
204	A	1207	LEU	0	-0.031	-0.018	27.506	0.004	0.004	0.000	0.000	0.000	0.000
205	A	1208	GLU	-1	-0.926	-0.959	27.198	-0.061	-0.061	0.000	0.000	0.000	0.000
206	A	1209	ASN	0	-0.099	-0.058	30.486	0.002	0.002	0.000	0.000	0.000	0.000
207	A	1210	GLY	0	-0.005	0.008	33.070	0.002	0.002	0.000	0.000	0.000	0.000
208	A	1211	VAL	0	-0.007	0.003	31.526	0.004	0.004	0.000	0.000	0.000	0.000
209	A	1212	ASN	0	-0.028	-0.021	32.727	0.002	0.002	0.000	0.000	0.000	0.000
210	A	1213	LEU	0	0.047	0.036	33.503	0.002	0.002	0.000	0.000	0.000	0.000
211	A	1214	GLU	-1	-0.905	-0.953	33.120	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	1215	GLN	0	0.001	-0.013	33.158	0.002	0.002	0.000	0.000	0.000	0.000
213	A	1216	THR	0	0.031	0.006	28.268	0.004	0.004	0.000	0.000	0.000	0.000
214	A	1217	ILE	0	-0.022	-0.007	28.546	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	1218	ARG	1	0.906	0.965	28.955	-0.010	-0.010	0.000	0.000	0.000	0.000
216	A	1219	LEU	0	0.003	0.003	25.028	0.005	0.005	0.000	0.000	0.000	0.000
217	A	1220	ARG	1	0.867	0.926	23.261	0.049	0.049	0.000	0.000	0.000	0.000
218	A	1221	GLU	-1	-0.950	-0.971	24.399	0.017	0.017	0.000	0.000	0.000	0.000
219	A	1222	GLU	-1	-0.782	-0.871	25.695	0.032	0.032	0.000	0.000	0.000	0.000
220	A	1223	ILE	0	0.006	0.002	20.090	0.012	0.012	0.000	0.000	0.000	0.000
221	A	1224	ALA	0	0.000	0.010	21.015	0.009	0.009	0.000	0.000	0.000	0.000
222	A	1225	GLU	-1	-0.837	-0.900	21.781	0.064	0.064	0.000	0.000	0.000	0.000
223	A	1226	GLN	0	-0.020	-0.010	20.708	0.018	0.018	0.000	0.000	0.000	0.000
224	A	1227	HIS	0	-0.016	-0.005	14.231	0.037	0.037	0.000	0.000	0.000	0.000
225	A	1228	ARG	1	0.853	0.895	17.721	-0.028	-0.028	0.000	0.000	0.000	0.000
226	A	1229	ALA	0	0.001	0.002	19.923	0.021	0.021	0.000	0.000	0.000	0.000
227	A	1230	LEU	0	0.000	-0.002	15.131	0.031	0.031	0.000	0.000	0.000	0.000
228	A	1231	GLY	0	0.016	0.001	15.718	0.055	0.055	0.000	0.000	0.000	0.000
229	A	1232	GLN	0	-0.001	-0.003	16.759	0.035	0.035	0.000	0.000	0.000	0.000
230	A	1233	MET	0	0.007	0.012	16.981	0.022	0.022	0.000	0.000	0.000	0.000
231	A	1234	LYS	1	0.833	0.916	10.204	-0.589	-0.589	0.000	0.000	0.000	0.000
232	A	1235	GLU	-1	-0.894	-0.949	16.195	0.198	0.198	0.000	0.000	0.000	0.000
233	A	1236	MET	0	-0.026	-0.001	19.160	-0.014	-0.014	0.000	0.000	0.000	0.000
234	A	1237	ALA	0	-0.012	-0.007	16.880	-0.008	-0.008	0.000	0.000	0.000	0.000
235	A	1238	ALA	0	0.032	0.016	17.424	0.001	0.001	0.000	0.000	0.000	0.000
236	A	1239	LYS	1	0.762	0.877	18.961	-0.186	-0.186	0.000	0.000	0.000	0.000
237	A	1240	TYR	0	-0.041	-0.011	21.600	-0.025	-0.025	0.000	0.000	0.000	0.000
238	A	1241	GLY	0	-0.043	-0.009	20.432	-0.007	-0.007	0.000	0.000	0.000	0.000
239	A	1242	TYR	0	0.006	-0.005	16.231	0.036	0.036	0.000	0.000	0.000	0.000
240	A	1243	ASP	-1	-0.787	-0.870	10.998	1.056	1.056	0.000	0.000	0.000	0.000
241	A	1244	ILE	0	-0.007	0.012	11.832	0.172	0.172	0.000	0.000	0.000	0.000
242	A	1245	SER	0	-0.048	-0.065	8.830	0.217	0.217	0.000	0.000	0.000	0.000
243	A	1246	GLY	0	-0.041	-0.010	6.833	0.476	0.476	0.000	0.000	0.000	0.000
244	A	1247	PRO	0	-0.016	0.007	6.179	-0.386	-0.386	0.000	0.000	0.000	0.000
245	A	1248	ALA	0	-0.013	0.007	9.336	0.189	0.189	0.000	0.000	0.000	0.000
246	A	1249	THR	0	0.015	-0.029	10.023	0.000	0.000	0.000	0.000	0.000	0.000
247	A	1250	ASN	0	-0.080	-0.037	12.491	-0.197	-0.197	0.000	0.000	0.000	0.000
248	A	1251	ALA	0	0.043	0.016	16.328	0.020	0.020	0.000	0.000	0.000	0.000
249	A	1252	GLN	0	0.038	0.010	19.409	-0.032	-0.032	0.000	0.000	0.000	0.000
250	A	1253	GLU	-1	-0.857	-0.905	13.866	0.825	0.825	0.000	0.000	0.000	0.000
251	A	1254	ALA	0	0.031	0.018	16.267	0.006	0.006	0.000	0.000	0.000	0.000
252	A	1255	ILE	0	0.004	0.006	17.132	-0.025	-0.025	0.000	0.000	0.000	0.000
253	A	1256	GLN	0	0.027	0.014	18.575	-0.033	-0.033	0.000	0.000	0.000	0.000
254	A	1257	TRP	0	-0.038	-0.030	11.431	-0.128	-0.128	0.000	0.000	0.000	0.000
255	A	1258	THR	0	-0.031	-0.024	17.053	-0.027	-0.027	0.000	0.000	0.000	0.000
256	A	1259	TYR	0	-0.041	-0.034	19.450	-0.033	-0.033	0.000	0.000	0.000	0.000
257	A	1260	PHE	0	0.008	-0.005	17.742	-0.022	-0.022	0.000	0.000	0.000	0.000
258	A	1261	GLY	0	0.028	0.000	19.483	-0.018	-0.018	0.000	0.000	0.000	0.000
259	A	1262	TYR	0	-0.051	-0.026	20.241	-0.024	-0.024	0.000	0.000	0.000	0.000
260	A	1263	LEU	0	-0.018	-0.005	23.556	-0.018	-0.018	0.000	0.000	0.000	0.000
261	A	1264	ALA	0	0.041	0.012	21.620	-0.016	-0.016	0.000	0.000	0.000	0.000
262	A	1265	ALA	0	0.003	0.020	23.699	-0.019	-0.019	0.000	0.000	0.000	0.000
263	A	1266	VAL	0	0.033	0.019	26.049	-0.014	-0.014	0.000	0.000	0.000	0.000
264	A	1267	LYS	1	0.849	0.937	25.537	-0.183	-0.183	0.000	0.000	0.000	0.000
265	A	1268	SER	0	-0.072	-0.038	26.604	-0.010	-0.010	0.000	0.000	0.000	0.000
266	A	1269	GLN	0	-0.041	-0.027	29.198	-0.017	-0.017	0.000	0.000	0.000	0.000
267	A	1270	ASN	0	0.089	0.038	31.540	0.002	0.002	0.000	0.000	0.000	0.000
268	A	1271	GLY	0	0.032	0.021	34.069	-0.005	-0.005	0.000	0.000	0.000	0.000
269	A	1272	ALA	0	0.011	0.006	34.549	0.005	0.005	0.000	0.000	0.000	0.000
270	A	1273	ALA	0	0.004	0.006	34.596	0.003	0.003	0.000	0.000	0.000	0.000
271	A	1274	MET	0	-0.025	0.004	29.523	0.001	0.001	0.000	0.000	0.000	0.000
272	A	1275	SER	0	-0.015	-0.020	29.569	0.007	0.007	0.000	0.000	0.000	0.000
273	A	1276	PHE	0	-0.018	-0.008	24.228	0.011	0.011	0.000	0.000	0.000	0.000
274	A	1277	GLY	0	0.049	0.015	25.226	0.010	0.010	0.000	0.000	0.000	0.000
275	A	1278	ARG	1	0.845	0.960	25.312	-0.052	-0.052	0.000	0.000	0.000	0.000
276	A	1279	THR	0	-0.015	-0.034	22.482	0.008	0.008	0.000	0.000	0.000	0.000
277	A	1280	SER	0	-0.014	-0.025	23.573	0.009	0.009	0.000	0.000	0.000	0.000
278	A	1281	THR	0	0.022	-0.005	24.242	0.011	0.011	0.000	0.000	0.000	0.000
279	A	1282	PHE	0	-0.001	0.010	15.854	-0.009	-0.009	0.000	0.000	0.000	0.000
280	A	1283	LEU	0	0.024	0.005	19.722	0.011	0.011	0.000	0.000	0.000	0.000
281	A	1284	ASP	-1	-0.759	-0.893	21.377	0.101	0.101	0.000	0.000	0.000	0.000
282	A	1285	VAL	0	-0.028	0.010	17.578	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	1286	TYR	0	0.005	0.004	12.648	-0.044	-0.044	0.000	0.000	0.000	0.000
284	A	1287	ILE	0	-0.001	-0.008	18.774	0.006	0.006	0.000	0.000	0.000	0.000
285	A	1288	GLU	-1	-0.764	-0.859	22.289	0.067	0.067	0.000	0.000	0.000	0.000
286	A	1289	ARG	1	0.795	0.895	12.488	-0.217	-0.217	0.000	0.000	0.000	0.000
287	A	1290	ASP	-1	-0.733	-0.870	18.487	0.287	0.287	0.000	0.000	0.000	0.000
288	A	1291	LEU	0	-0.053	-0.015	21.258	-0.006	-0.006	0.000	0.000	0.000	0.000
289	A	1292	LYS	1	0.816	0.894	23.043	-0.051	-0.051	0.000	0.000	0.000	0.000
290	A	1293	ALA	0	-0.024	0.000	20.836	-0.015	-0.015	0.000	0.000	0.000	0.000
291	A	1294	GLY	0	-0.031	-0.013	22.887	0.007	0.007	0.000	0.000	0.000	0.000
292	A	1295	LYS	1	0.762	0.869	16.300	-0.321	-0.321	0.000	0.000	0.000	0.000
293	A	1296	ILE	0	-0.014	0.005	22.621	0.022	0.022	0.000	0.000	0.000	0.000
294	A	1297	THR	0	0.001	-0.020	24.934	-0.022	-0.022	0.000	0.000	0.000	0.000
295	A	1298	GLU	-1	-0.701	-0.857	28.193	0.105	0.105	0.000	0.000	0.000	0.000
296	A	1299	GLN	0	0.001	-0.006	30.151	0.000	0.000	0.000	0.000	0.000	0.000
297	A	1300	GLU	-1	-0.791	-0.868	27.039	0.175	0.175	0.000	0.000	0.000	0.000
298	A	1301	ALA	0	-0.014	-0.008	26.192	0.014	0.014	0.000	0.000	0.000	0.000
299	A	1302	GLN	0	-0.007	-0.007	27.206	0.000	0.000	0.000	0.000	0.000	0.000
300	A	1303	GLU	-1	-0.795	-0.863	29.241	0.157	0.157	0.000	0.000	0.000	0.000
301	A	1304	MET	0	-0.036	-0.009	23.187	0.018	0.018	0.000	0.000	0.000	0.000
302	A	1305	VAL	0	0.018	0.012	26.670	0.008	0.008	0.000	0.000	0.000	0.000
303	A	1306	ASP	-1	-0.752	-0.872	28.212	0.108	0.108	0.000	0.000	0.000	0.000
304	A	1307	HIS	0	-0.002	-0.016	27.841	0.008	0.008	0.000	0.000	0.000	0.000
305	A	1308	LEU	0	-0.036	0.004	24.701	0.004	0.004	0.000	0.000	0.000	0.000
306	A	1309	VAL	0	0.038	-0.004	27.497	-0.004	-0.004	0.000	0.000	0.000	0.000
307	A	1310	MET	0	-0.031	-0.006	30.824	-0.010	-0.010	0.000	0.000	0.000	0.000
308	A	1311	LYS	1	0.765	0.880	27.423	-0.187	-0.187	0.000	0.000	0.000	0.000
309	A	1312	LEU	0	0.000	0.003	27.784	-0.006	-0.006	0.000	0.000	0.000	0.000
310	A	1313	ARG	1	0.833	0.913	31.364	-0.096	-0.096	0.000	0.000	0.000	0.000
311	A	1314	MET	0	-0.067	-0.025	32.715	-0.006	-0.006	0.000	0.000	0.000	0.000
312	A	1315	VAL	0	0.006	0.024	31.170	0.001	0.001	0.000	0.000	0.000	0.000
313	A	1316	ARG	1	0.827	0.902	33.179	-0.090	-0.090	0.000	0.000	0.000	0.000
314	A	1317	PHE	0	0.007	0.006	32.343	0.004	0.004	0.000	0.000	0.000	0.000
315	A	1318	LEU	0	-0.003	0.010	37.403	-0.003	-0.003	0.000	0.000	0.000	0.000
316	A	1319	ARG	1	0.875	0.946	38.063	-0.064	-0.064	0.000	0.000	0.000	0.000
317	A	1320	THR	0	-0.017	-0.014	43.319	0.001	0.001	0.000	0.000	0.000	0.000
318	A	1321	PRO	0	0.049	0.013	47.166	0.001	0.001	0.000	0.000	0.000	0.000
319	A	1322	GLU	-1	-0.850	-0.901	49.412	0.040	0.040	0.000	0.000	0.000	0.000
320	A	1323	TYR	0	-0.032	-0.043	44.711	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	1324	ASP	-1	-0.818	-0.895	43.392	0.064	0.064	0.000	0.000	0.000	0.000
322	A	1325	GLU	-1	-0.909	-0.969	41.916	0.064	0.064	0.000	0.000	0.000	0.000
323	A	1326	LEU	0	-0.030	0.007	44.439	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	1327	PHE	0	-0.042	-0.015	47.983	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	1328	SER	0	-0.059	-0.036	48.355	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	1329	GLY	0	-0.005	0.002	45.276	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	1330	ASP	-1	-0.842	-0.905	40.638	0.048	0.048	0.000	0.000	0.000	0.000
328	A	1331	PRO	0	-0.001	0.010	40.211	0.002	0.002	0.000	0.000	0.000	0.000
329	A	1332	ILE	0	-0.076	-0.031	34.312	0.000	0.000	0.000	0.000	0.000	0.000
330	A	1333	TRP	0	0.065	0.010	35.111	-0.005	-0.005	0.000	0.000	0.000	0.000
331	A	1334	ALA	0	0.049	0.044	31.160	0.001	0.001	0.000	0.000	0.000	0.000
332	A	1335	THR	0	-0.082	-0.051	31.994	0.000	0.000	0.000	0.000	0.000	0.000
333	A	1336	GLU	-1	-0.766	-0.838	27.439	0.114	0.114	0.000	0.000	0.000	0.000
334	A	1337	SER	0	-0.034	-0.022	29.341	-0.009	-0.009	0.000	0.000	0.000	0.000
335	A	1338	ILE	0	0.025	0.013	29.612	0.000	0.000	0.000	0.000	0.000	0.000
336	A	1339	GLY	0	0.033	0.025	29.956	-0.006	-0.006	0.000	0.000	0.000	0.000
337	A	1340	GLY	0	0.053	0.031	30.386	0.000	0.000	0.000	0.000	0.000	0.000
338	A	1341	MET	0	-0.104	-0.030	31.854	0.002	0.002	0.000	0.000	0.000	0.000
339	A	1342	GLY	0	0.053	0.016	28.660	0.002	0.002	0.000	0.000	0.000	0.000
340	A	1343	LEU	0	-0.039	-0.039	28.628	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	1344	ASP	-1	-0.889	-0.907	26.969	-0.021	-0.021	0.000	0.000	0.000	0.000
342	A	1345	GLY	0	-0.010	-0.002	30.181	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	1346	ARG	1	0.808	0.894	23.983	0.025	0.025	0.000	0.000	0.000	0.000
344	A	1347	THR	0	0.028	0.002	31.064	0.004	0.004	0.000	0.000	0.000	0.000
345	A	1348	LEU	0	0.016	0.013	25.911	-0.002	-0.002	0.000	0.000	0.000	0.000
346	A	1349	VAL	0	-0.024	0.010	28.610	0.009	0.009	0.000	0.000	0.000	0.000
347	A	1350	THR	0	-0.020	-0.012	25.584	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	1351	LYS	1	0.826	0.894	28.201	-0.075	-0.075	0.000	0.000	0.000	0.000
349	A	1352	ASN	0	0.017	-0.017	25.154	0.002	0.002	0.000	0.000	0.000	0.000
350	A	1353	SER	0	-0.031	-0.013	28.214	0.001	0.001	0.000	0.000	0.000	0.000
351	A	1354	PHE	0	0.011	0.006	30.707	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	1355	ARG	1	0.790	0.874	26.534	-0.111	-0.111	0.000	0.000	0.000	0.000
353	A	1356	PHE	0	0.042	0.006	26.550	0.003	0.003	0.000	0.000	0.000	0.000
354	A	1357	LEU	0	0.004	0.016	31.738	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	1358	ASN	0	-0.006	-0.011	34.725	-0.008	-0.008	0.000	0.000	0.000	0.000
356	A	1359	THR	0	-0.019	-0.016	32.270	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	1360	LEU	0	-0.040	-0.011	35.525	0.000	0.000	0.000	0.000	0.000	0.000
358	A	1361	TYR	0	-0.099	-0.070	38.768	-0.005	-0.005	0.000	0.000	0.000	0.000
359	A	1362	THR	0	-0.104	-0.077	35.044	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	1363	MET	0	-0.019	-0.007	34.708	0.004	0.004	0.000	0.000	0.000	0.000
361	A	1364	GLY	0	-0.003	0.019	38.617	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	1365	PRO	0	0.032	0.011	40.142	0.004	0.004	0.000	0.000	0.000	0.000
363	A	1366	SER	0	-0.016	-0.029	38.027	0.003	0.003	0.000	0.000	0.000	0.000
364	A	1367	PRO	0	0.011	0.006	38.971	0.002	0.002	0.000	0.000	0.000	0.000
365	A	1368	GLU	-1	-0.812	-0.895	35.072	0.085	0.085	0.000	0.000	0.000	0.000
366	A	1369	PRO	0	-0.007	0.002	32.725	0.003	0.003	0.000	0.000	0.000	0.000
367	A	1370	ASN	0	0.038	0.010	34.239	-0.007	-0.007	0.000	0.000	0.000	0.000
368	A	1371	MET	0	-0.024	-0.009	32.718	0.002	0.002	0.000	0.000	0.000	0.000
369	A	1372	THR	0	-0.032	-0.002	33.686	-0.005	-0.005	0.000	0.000	0.000	0.000
370	A	1373	ILE	0	0.010	-0.011	34.081	0.002	0.002	0.000	0.000	0.000	0.000
371	A	1374	LEU	0	0.008	0.001	31.010	-0.004	-0.004	0.000	0.000	0.000	0.000
372	A	1375	TRP	0	0.007	-0.022	35.117	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	1376	SER	0	-0.023	-0.036	36.698	-0.003	-0.003	0.000	0.000	0.000	0.000
374	A	1377	GLU	-1	-0.817	-0.902	38.456	0.020	0.020	0.000	0.000	0.000	0.000
375	A	1378	LYS	1	0.840	0.910	37.660	-0.008	-0.008	0.000	0.000	0.000	0.000
376	A	1379	LEU	0	0.001	0.025	34.745	0.000	0.000	0.000	0.000	0.000	0.000
377	A	1380	PRO	0	0.021	0.018	34.919	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	1381	LEU	0	0.006	-0.007	38.118	0.003	0.003	0.000	0.000	0.000	0.000
379	A	1382	ASN	0	-0.019	-0.013	38.812	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	1383	PHE	0	0.083	0.038	34.456	0.002	0.002	0.000	0.000	0.000	0.000
381	A	1384	LYS	1	0.789	0.892	38.103	-0.017	-0.017	0.000	0.000	0.000	0.000
382	A	1385	LYS	1	0.919	0.958	40.935	-0.024	-0.024	0.000	0.000	0.000	0.000
383	A	1386	PHE	0	0.024	0.022	36.300	0.001	0.001	0.000	0.000	0.000	0.000
384	A	1387	ALA	0	0.054	0.030	38.741	0.002	0.002	0.000	0.000	0.000	0.000
385	A	1388	ALA	0	0.013	0.021	40.316	0.001	0.001	0.000	0.000	0.000	0.000
386	A	1389	LYS	1	0.834	0.908	43.315	-0.045	-0.045	0.000	0.000	0.000	0.000
387	A	1390	VAL	0	0.059	0.029	39.238	0.000	0.000	0.000	0.000	0.000	0.000
388	A	1391	SER	0	-0.011	-0.001	42.448	0.002	0.002	0.000	0.000	0.000	0.000
389	A	1392	ILE	0	-0.048	-0.022	44.046	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	1393	ASP	-1	-0.822	-0.877	44.738	0.045	0.045	0.000	0.000	0.000	0.000
391	A	1394	THR	0	-0.052	-0.046	42.090	0.002	0.002	0.000	0.000	0.000	0.000
392	A	1395	SER	0	-0.019	-0.005	44.672	0.001	0.001	0.000	0.000	0.000	0.000
393	A	1396	SER	0	-0.053	-0.025	40.558	0.000	0.000	0.000	0.000	0.000	0.000
394	A	1397	LEU	0	-0.020	-0.002	37.464	0.004	0.004	0.000	0.000	0.000	0.000
395	A	1398	GLN	0	-0.034	-0.018	38.825	-0.006	-0.006	0.000	0.000	0.000	0.000
396	A	1399	TYR	0	-0.048	-0.037	38.699	0.001	0.001	0.000	0.000	0.000	0.000
397	A	1400	GLU	-1	-0.836	-0.930	36.828	0.033	0.033	0.000	0.000	0.000	0.000
398	A	1401	ASN	0	-0.016	-0.001	38.164	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	1402	ASP	-1	-0.681	-0.807	33.312	0.022	0.022	0.000	0.000	0.000	0.000
400	A	1403	ASP	-1	-0.805	-0.887	36.340	0.009	0.009	0.000	0.000	0.000	0.000
401	A	1404	LEU	0	-0.061	-0.006	38.755	-0.003	-0.003	0.000	0.000	0.000	0.000
402	A	1405	MET	0	0.029	0.006	34.802	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	1406	ARG	1	0.828	0.913	31.762	-0.012	-0.012	0.000	0.000	0.000	0.000
404	A	1407	PRO	0	-0.064	-0.041	33.388	-0.003	-0.003	0.000	0.000	0.000	0.000
405	A	1408	ASP	-1	-0.935	-0.951	35.964	0.010	0.010	0.000	0.000	0.000	0.000
406	A	1409	PHE	0	-0.018	-0.014	31.523	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	1410	ASN	0	-0.062	-0.029	30.905	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	1411	ASN	0	-0.002	-0.013	25.840	0.002	0.002	0.000	0.000	0.000	0.000
409	A	1412	ASP	-1	-0.728	-0.839	26.363	0.002	0.002	0.000	0.000	0.000	0.000
410	A	1413	ASP	-1	-0.841	-0.913	22.560	0.070	0.070	0.000	0.000	0.000	0.000
411	A	1414	TYR	0	-0.012	-0.025	25.976	0.007	0.007	0.000	0.000	0.000	0.000
412	A	1415	ALA	0	0.006	-0.004	27.761	0.004	0.004	0.000	0.000	0.000	0.000
413	A	1416	ILE	0	0.049	0.021	29.724	-0.005	-0.005	0.000	0.000	0.000	0.000
414	A	1417	ALA	0	0.049	0.036	32.126	0.007	0.007	0.000	0.000	0.000	0.000
415	A	1418	CYS	0	0.006	0.020	33.990	-0.005	-0.005	0.000	0.000	0.000	0.000
416	A	1419	CYS	0	-0.043	-0.030	37.525	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	1420	VAL	0	-0.017	0.002	35.243	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	1421	SER	0	0.043	0.031	36.721	0.001	0.001	0.000	0.000	0.000	0.000
419	A	1422	PRO	0	0.029	0.023	33.354	0.003	0.003	0.000	0.000	0.000	0.000
420	A	1423	MET	0	-0.027	-0.003	28.862	-0.003	-0.003	0.000	0.000	0.000	0.000
421	A	1424	ILE	0	0.009	0.008	25.105	0.006	0.006	0.000	0.000	0.000	0.000
422	A	1425	VAL	0	0.016	0.015	22.308	0.002	0.002	0.000	0.000	0.000	0.000
423	A	1426	GLY	0	0.001	0.012	21.714	-0.002	-0.002	0.000	0.000	0.000	0.000
424	A	1427	LYS	1	0.805	0.883	19.173	-0.028	-0.028	0.000	0.000	0.000	0.000
425	A	1428	GLN	0	0.024	0.022	24.746	-0.009	-0.009	0.000	0.000	0.000	0.000
426	A	1429	MET	0	-0.011	-0.001	27.582	0.010	0.010	0.000	0.000	0.000	0.000
427	A	1430	GLN	0	0.002	-0.021	29.741	-0.009	-0.009	0.000	0.000	0.000	0.000
428	A	1431	PHE	0	-0.042	-0.020	33.353	0.004	0.004	0.000	0.000	0.000	0.000
429	A	1432	PHE	0	0.033	0.009	36.167	-0.002	-0.002	0.000	0.000	0.000	0.000
430	A	1433	GLY	0	0.030	0.013	38.219	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	1434	ALA	0	-0.007	0.005	41.891	0.001	0.001	0.000	0.000	0.000	0.000
432	A	1435	ARG	1	0.900	0.956	44.774	-0.032	-0.032	0.000	0.000	0.000	0.000
433	A	1436	ALA	0	0.048	0.025	47.752	0.000	0.000	0.000	0.000	0.000	0.000
434	A	1437	ASN	0	-0.004	-0.007	50.658	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	1438	LEU	0	0.063	0.033	52.590	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	1439	ALA	0	0.024	0.028	55.662	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	1440	LYS	1	0.848	0.911	57.302	-0.020	-0.020	0.000	0.000	0.000	0.000
438	A	1441	THR	0	-0.034	-0.029	56.350	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	1442	MET	0	0.015	0.007	58.874	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	1443	LEU	0	-0.021	-0.001	61.503	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	1444	TYR	0	-0.049	-0.062	58.682	0.000	0.000	0.000	0.000	0.000	0.000
442	A	1445	ALA	0	-0.029	-0.001	62.460	-0.001	-0.001	0.000	0.000	0.000	0.000
443	A	1446	ILE	0	0.014	0.010	64.292	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	1447	ASN	0	0.013	0.010	66.571	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	1448	GLY	0	0.079	0.049	67.842	0.000	0.000	0.000	0.000	0.000	0.000
446	A	1449	GLY	0	0.020	-0.010	63.629	0.000	0.000	0.000	0.000	0.000	0.000
447	A	1450	VAL	0	-0.024	-0.023	63.756	0.001	0.001	0.000	0.000	0.000	0.000
448	A	1451	ASP	-1	-0.794	-0.873	61.475	0.018	0.018	0.000	0.000	0.000	0.000
449	A	1452	GLU	-1	-0.755	-0.879	64.156	0.015	0.015	0.000	0.000	0.000	0.000
450	A	1453	LYS	1	0.843	0.909	63.192	-0.016	-0.016	0.000	0.000	0.000	0.000
451	A	1454	LEU	0	-0.077	-0.039	60.345	0.001	0.001	0.000	0.000	0.000	0.000
452	A	1455	LYS	1	0.756	0.860	64.968	-0.012	-0.012	0.000	0.000	0.000	0.000
453	A	1456	MET	0	0.011	0.032	60.217	0.000	0.000	0.000	0.000	0.000	0.000
454	A	1457	GLN	0	-0.020	-0.006	64.517	0.000	0.000	0.000	0.000	0.000	0.000
455	A	1458	VAL	0	-0.039	-0.030	59.538	0.000	0.000	0.000	0.000	0.000	0.000
456	A	1459	GLY	0	0.027	0.011	59.901	0.000	0.000	0.000	0.000	0.000	0.000
457	A	1460	PRO	0	-0.060	-0.023	60.578	0.000	0.000	0.000	0.000	0.000	0.000
458	A	1461	LYS	1	0.861	0.916	63.512	-0.009	-0.009	0.000	0.000	0.000	0.000
459	A	1462	SER	0	-0.021	-0.001	66.369	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	1463	GLU	-1	-0.851	-0.914	68.958	0.008	0.008	0.000	0.000	0.000	0.000
461	A	1464	PRO	0	-0.020	-0.005	70.564	0.000	0.000	0.000	0.000	0.000	0.000
462	A	1465	ILE	0	0.031	0.028	68.506	0.000	0.000	0.000	0.000	0.000	0.000
463	A	1466	LYN	0	-0.041	-0.009	72.489	0.000	0.000	0.000	0.000	0.000	0.000
464	A	1467	GLY	0	0.032	0.011	76.302	0.000	0.000	0.000	0.000	0.000	0.000
465	A	1468	ASP	-1	-0.918	-0.953	77.204	0.008	0.008	0.000	0.000	0.000	0.000
466	A	1469	VAL	0	-0.023	-0.016	75.279	0.000	0.000	0.000	0.000	0.000	0.000
467	A	1470	LEU	0	-0.010	0.005	69.414	0.000	0.000	0.000	0.000	0.000	0.000
468	A	1471	ASN	0	0.000	-0.016	71.702	0.000	0.000	0.000	0.000	0.000	0.000
469	A	1472	TYR	0	0.028	0.008	63.161	0.000	0.000	0.000	0.000	0.000	0.000
470	A	1473	ASP	-1	-0.845	-0.919	66.852	0.006	0.006	0.000	0.000	0.000	0.000
471	A	1474	GLU	-1	-0.812	-0.904	67.199	0.007	0.007	0.000	0.000	0.000	0.000
472	A	1475	VAL	0	-0.007	-0.008	64.934	0.000	0.000	0.000	0.000	0.000	0.000
473	A	1476	MET	0	-0.020	-0.007	60.117	0.001	0.001	0.000	0.000	0.000	0.000
474	A	1477	GLU	-1	-0.953	-0.970	62.789	0.005	0.005	0.000	0.000	0.000	0.000
475	A	1478	ARG	0	-0.055	-0.031	63.912	0.000	0.000	0.000	0.000	0.000	0.000
476	A	1479	MET	0	-0.012	0.003	59.588	0.001	0.001	0.000	0.000	0.000	0.000
477	A	1480	ASP	-1	-0.817	-0.899	58.685	0.007	0.007	0.000	0.000	0.000	0.000
478	A	1481	HIS	0	-0.032	-0.029	58.729	0.000	0.000	0.000	0.000	0.000	0.000
479	A	1482	PHE	0	0.009	0.006	59.055	0.000	0.000	0.000	0.000	0.000	0.000
480	A	1483	MET	0	-0.017	-0.012	54.736	0.001	0.001	0.000	0.000	0.000	0.000
481	A	1484	ASP	-1	-0.800	-0.880	54.650	0.007	0.007	0.000	0.000	0.000	0.000
482	A	1485	TRP	0	-0.020	0.000	54.751	0.000	0.000	0.000	0.000	0.000	0.000
483	A	1486	LEU	0	0.007	0.001	52.899	0.001	0.001	0.000	0.000	0.000	0.000
484	A	1487	ALA	0	0.011	0.009	50.782	0.001	0.001	0.000	0.000	0.000	0.000
485	A	1488	LYS	1	0.985	0.996	49.827	-0.007	-0.007	0.000	0.000	0.000	0.000
486	A	1489	GLN	0	0.030	0.021	50.458	0.001	0.001	0.000	0.000	0.000	0.000
487	A	1490	TYR	0	-0.029	-0.043	45.373	0.001	0.001	0.000	0.000	0.000	0.000
488	A	1491	ILE	0	0.027	0.011	44.418	0.002	0.002	0.000	0.000	0.000	0.000
489	A	1492	THR	0	-0.042	-0.027	45.421	0.000	0.000	0.000	0.000	0.000	0.000
490	A	1493	ALA	0	0.005	-0.011	46.234	0.001	0.001	0.000	0.000	0.000	0.000
491	A	1494	LEU	0	-0.009	0.003	42.192	0.002	0.002	0.000	0.000	0.000	0.000
492	A	1495	ASN	0	0.010	-0.009	41.508	0.002	0.002	0.000	0.000	0.000	0.000
493	A	1496	ILE	0	-0.012	0.007	41.342	0.001	0.001	0.000	0.000	0.000	0.000
494	A	1497	ILE	0	0.004	-0.001	39.764	0.002	0.002	0.000	0.000	0.000	0.000
495	A	1498	HIS	0	0.026	0.002	37.123	0.004	0.004	0.000	0.000	0.000	0.000
496	A	1499	TYR	0	0.033	0.029	36.505	0.002	0.002	0.000	0.000	0.000	0.000
497	A	1500	MET	0	-0.054	-0.013	37.235	0.001	0.001	0.000	0.000	0.000	0.000
498	A	1501	HIS	0	0.049	0.034	33.348	0.003	0.003	0.000	0.000	0.000	0.000
499	A	1502	ASP	-1	-0.775	-0.853	32.904	0.036	0.036	0.000	0.000	0.000	0.000
500	A	1503	LYS	1	0.893	0.966	32.739	-0.020	-0.020	0.000	0.000	0.000	0.000
501	A	1504	TYR	0	-0.031	-0.029	34.394	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	1505	SER	0	-0.026	-0.016	33.274	0.004	0.004	0.000	0.000	0.000	0.000
503	A	1506	TYR	0	-0.019	0.000	26.006	0.006	0.006	0.000	0.000	0.000	0.000
504	A	1507	GLU	-1	-0.721	-0.826	28.175	0.065	0.065	0.000	0.000	0.000	0.000
505	A	1508	ALA	0	0.000	-0.006	24.301	0.007	0.007	0.000	0.000	0.000	0.000
506	A	1509	SER	0	0.017	-0.014	22.550	0.001	0.001	0.000	0.000	0.000	0.000
507	A	1510	LEU	0	0.016	0.009	22.268	0.017	0.017	0.000	0.000	0.000	0.000
508	A	1511	MET	0	-0.026	-0.002	22.750	0.004	0.004	0.000	0.000	0.000	0.000
509	A	1512	ALA	0	-0.005	-0.005	18.955	-0.008	-0.008	0.000	0.000	0.000	0.000
510	A	1513	LEU	0	-0.073	-0.030	17.235	0.018	0.018	0.000	0.000	0.000	0.000
511	A	1514	HIS	0	0.010	-0.005	19.562	-0.013	-0.013	0.000	0.000	0.000	0.000
512	A	1515	ASP	-1	-0.767	-0.861	19.595	0.033	0.033	0.000	0.000	0.000	0.000
513	A	1516	ARG	1	0.792	0.864	20.666	0.029	0.029	0.000	0.000	0.000	0.000
514	A	1517	ASP	-1	-0.836	-0.884	22.234	-0.009	-0.009	0.000	0.000	0.000	0.000
515	A	1518	VAL	0	-0.041	-0.014	24.530	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	1519	ILE	0	0.040	0.018	26.682	-0.002	-0.002	0.000	0.000	0.000	0.000
517	A	1520	ARG	1	0.873	0.926	29.004	-0.025	-0.025	0.000	0.000	0.000	0.000
518	A	1521	THR	0	-0.007	-0.002	32.698	-0.003	-0.003	0.000	0.000	0.000	0.000
519	A	1522	MET	0	-0.019	-0.004	35.971	0.004	0.004	0.000	0.000	0.000	0.000
520	A	1523	ALA	0	0.020	0.021	37.630	-0.002	-0.002	0.000	0.000	0.000	0.000
521	A	1524	CYS	0	-0.024	-0.011	39.596	0.001	0.001	0.000	0.000	0.000	0.000
522	A	1525	GLY	0	0.057	0.026	43.351	0.001	0.001	0.000	0.000	0.000	0.000
523	A	1526	ILE	0	-0.015	0.004	45.544	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	1527	ALA	0	-0.010	-0.013	48.995	0.002	0.002	0.000	0.000	0.000	0.000
525	A	1528	GLY	0	0.035	0.006	51.623	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	1529	LEU	0	0.010	0.010	51.222	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	1530	SER	0	0.041	0.038	54.542	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	1531	VAL	0	0.062	0.027	56.681	-0.001	-0.001	0.000	0.000	0.000	0.000
529	A	1532	ALA	0	0.019	0.019	57.564	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	1533	ALA	0	0.011	0.009	57.781	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	1534	ASP	-1	-0.797	-0.908	59.781	0.015	0.015	0.000	0.000	0.000	0.000
532	A	1535	SER	0	-0.033	-0.029	62.421	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	1536	LEU	0	-0.033	-0.029	60.316	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	1537	SER	0	-0.020	-0.025	63.637	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	1538	ALA	0	0.023	0.004	65.380	-0.001	-0.001	0.000	0.000	0.000	0.000
536	A	1539	ILE	0	-0.019	-0.022	66.536	0.000	0.000	0.000	0.000	0.000	0.000
537	A	1540	LYS	1	0.861	0.947	64.625	-0.008	-0.008	0.000	0.000	0.000	0.000
538	A	1541	TYR	0	-0.126	-0.082	64.632	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	1542	ALA	0	-0.004	0.021	70.862	0.000	0.000	0.000	0.000	0.000	0.000
540	A	1543	LYS	1	0.907	0.963	73.211	-0.008	-0.008	0.000	0.000	0.000	0.000
541	A	1544	VAL	0	0.028	0.013	70.121	0.000	0.000	0.000	0.000	0.000	0.000
542	A	1545	LYS	1	0.834	0.905	73.382	-0.010	-0.010	0.000	0.000	0.000	0.000
543	A	1546	PRO	0	-0.032	-0.003	72.342	0.000	0.000	0.000	0.000	0.000	0.000
544	A	1547	ILE	0	0.005	0.004	74.078	0.000	0.000	0.000	0.000	0.000	0.000
545	A	1548	ARG	1	0.795	0.881	74.005	-0.009	-0.009	0.000	0.000	0.000	0.000
546	A	1549	ASP	-1	-0.782	-0.886	73.260	0.012	0.012	0.000	0.000	0.000	0.000
547	A	1550	GLU	-1	-0.894	-0.949	75.560	0.011	0.011	0.000	0.000	0.000	0.000
548	A	1551	ASP	-1	-0.903	-0.931	73.570	0.011	0.011	0.000	0.000	0.000	0.000
549	A	1552	GLY	0	-0.040	-0.016	74.806	0.000	0.000	0.000	0.000	0.000	0.000
550	A	1553	LEU	0	-0.056	-0.036	69.417	0.000	0.000	0.000	0.000	0.000	0.000
551	A	1554	ALA	0	0.007	-0.004	69.892	0.000	0.000	0.000	0.000	0.000	0.000
552	A	1555	ILE	0	-0.051	-0.025	69.495	0.001	0.001	0.000	0.000	0.000	0.000
553	A	1556	ASP	-1	-0.906	-0.946	69.674	0.014	0.014	0.000	0.000	0.000	0.000
554	A	1557	PHE	0	-0.047	-0.037	67.619	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	1558	GLU	-1	-0.808	-0.872	72.111	0.010	0.010	0.000	0.000	0.000	0.000
556	A	1559	ILE	0	-0.009	-0.012	68.972	0.000	0.000	0.000	0.000	0.000	0.000
557	A	1560	GLU	-1	-0.963	-0.980	73.516	0.009	0.009	0.000	0.000	0.000	0.000
558	A	1561	GLY	0	0.016	-0.009	75.181	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	1562	GLU	-1	-0.934	-0.968	71.511	0.012	0.012	0.000	0.000	0.000	0.000
560	A	1563	TYR	0	-0.014	-0.008	65.130	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	1564	PRO	0	-0.025	0.010	64.546	0.001	0.001	0.000	0.000	0.000	0.000
562	A	1565	GLN	0	0.008	-0.002	62.547	0.001	0.001	0.000	0.000	0.000	0.000
563	A	1566	PHE	0	0.046	0.003	53.085	0.000	0.000	0.000	0.000	0.000	0.000
564	A	1567	GLY	0	-0.046	-0.001	55.805	0.001	0.001	0.000	0.000	0.000	0.000
565	A	1568	ASN	0	-0.056	-0.042	56.705	0.000	0.000	0.000	0.000	0.000	0.000
566	A	1569	ASN	0	-0.013	-0.006	55.437	0.000	0.000	0.000	0.000	0.000	0.000
567	A	1570	ASP	-1	-0.806	-0.886	58.897	0.009	0.009	0.000	0.000	0.000	0.000
568	A	1571	PRO	0	0.029	0.015	59.205	0.000	0.000	0.000	0.000	0.000	0.000
569	A	1572	ARG	1	0.815	0.899	60.095	-0.009	-0.009	0.000	0.000	0.000	0.000
570	A	1573	VAL	0	0.023	0.024	60.016	0.000	0.000	0.000	0.000	0.000	0.000
571	A	1574	ASP	-1	-0.803	-0.910	55.709	0.014	0.014	0.000	0.000	0.000	0.000
572	A	1575	ASP	-1	-0.892	-0.956	56.074	0.008	0.008	0.000	0.000	0.000	0.000
573	A	1576	LEU	0	-0.076	-0.034	57.441	0.000	0.000	0.000	0.000	0.000	0.000
574	A	1577	ALA	0	0.008	0.005	54.278	0.000	0.000	0.000	0.000	0.000	0.000
575	A	1578	VAL	0	-0.004	-0.008	52.193	0.000	0.000	0.000	0.000	0.000	0.000
576	A	1579	ASP	-1	-0.807	-0.866	53.307	0.008	0.008	0.000	0.000	0.000	0.000
577	A	1580	LEU	0	0.032	0.010	55.159	0.000	0.000	0.000	0.000	0.000	0.000
578	A	1581	VAL	0	0.004	-0.012	48.708	0.000	0.000	0.000	0.000	0.000	0.000
579	A	1582	GLU	-1	-0.846	-0.910	50.400	0.006	0.006	0.000	0.000	0.000	0.000
580	A	1583	ARG	1	0.809	0.864	51.465	-0.008	-0.008	0.000	0.000	0.000	0.000
581	A	1584	PHE	0	0.000	-0.008	49.242	0.000	0.000	0.000	0.000	0.000	0.000
582	A	1585	MET	0	-0.004	-0.003	44.238	0.000	0.000	0.000	0.000	0.000	0.000
583	A	1586	LYS	1	0.829	0.911	48.109	-0.006	-0.006	0.000	0.000	0.000	0.000
584	A	1587	LYS	1	0.733	0.857	50.371	-0.008	-0.008	0.000	0.000	0.000	0.000
585	A	1588	ILE	0	0.016	-0.005	45.800	0.000	0.000	0.000	0.000	0.000	0.000
586	A	1589	GLN	0	-0.061	-0.043	43.436	-0.001	-0.001	0.000	0.000	0.000	0.000
587	A	1590	LYS	1	0.753	0.891	46.859	-0.007	-0.007	0.000	0.000	0.000	0.000
588	A	1591	LEU	0	-0.076	-0.030	47.447	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	1592	HIS	0	0.031	0.022	44.226	0.001	0.001	0.000	0.000	0.000	0.000
590	A	1593	THR	0	0.008	-0.010	40.266	0.001	0.001	0.000	0.000	0.000	0.000
591	A	1594	TYR	0	-0.061	-0.058	34.568	-0.003	-0.003	0.000	0.000	0.000	0.000
592	A	1595	ARG	1	0.746	0.838	29.389	-0.018	-0.018	0.000	0.000	0.000	0.000
593	A	1596	ASP	-1	-0.889	-0.938	35.630	0.003	0.003	0.000	0.000	0.000	0.000
594	A	1597	ALA	0	-0.026	0.011	35.935	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	1598	ILE	0	0.057	0.033	36.801	0.001	0.001	0.000	0.000	0.000	0.000
596	A	1599	PRO	0	0.001	0.002	38.914	0.003	0.003	0.000	0.000	0.000	0.000
597	A	1600	THR	0	-0.002	0.008	38.066	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	1601	GLN	0	0.034	-0.007	41.133	0.002	0.002	0.000	0.000	0.000	0.000
599	A	1602	SER	0	0.035	0.005	39.862	0.000	0.000	0.000	0.000	0.000	0.000
600	A	1603	VAL	0	-0.074	-0.024	42.365	0.001	0.001	0.000	0.000	0.000	0.000
601	A	1604	LEU	0	0.008	0.004	45.939	0.000	0.000	0.000	0.000	0.000	0.000
602	A	1605	THR	0	0.005	0.009	43.150	0.000	0.000	0.000	0.000	0.000	0.000
603	A	1606	ILE	0	0.008	0.003	45.807	0.000	0.000	0.000	0.000	0.000	0.000
604	A	1607	THR	0	0.036	0.006	43.396	0.000	0.000	0.000	0.000	0.000	0.000
605	A	1608	SER	0	-0.004	0.005	46.495	0.000	0.000	0.000	0.000	0.000	0.000
606	A	1609	ASN	0	-0.013	-0.009	44.428	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	1610	VAL	0	0.014	0.023	45.970	0.000	0.000	0.000	0.000	0.000	0.000
608	A	1611	VAL	0	-0.007	-0.008	47.270	0.001	0.001	0.000	0.000	0.000	0.000
609	A	1612	TYR	0	-0.007	-0.003	45.500	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	1613	GLY	0	0.042	0.023	50.134	0.001	0.001	0.000	0.000	0.000	0.000
611	A	1614	LYS	1	0.948	0.978	51.667	-0.001	-0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:1004:ASN)