FMO DATABASE

FMODB ID: LZNR9

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	OptHSide
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	-14074509.394487
FMO2-HF: Nuclear repulsion	13829417.480642
FMO2-HF: Total energy	-245091.913845
FMO2-MP2: Total energy	-245798.203552

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.
-13.175	-8.621	4.841	-3.023	-6.37	0.018

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 : -0.017

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	0.959	0.970	2.266	-12.635	-10.028	3.885	-2.333	-4.159	0.020
4	A	1007	LEU	0	-0.032	-0.009	2.350	-4.946	-3.468	0.957	-0.579	-1.855	-0.002
5	A	1008	ALA	0	-0.035	0.005	3.545	0.626	0.938	0.000	-0.104	-0.207	0.000
6	A	1009	THR	0	0.019	0.022	5.137	0.354	0.511	-0.001	-0.007	-0.149	0.000
7	A	1010	ALA	0	0.088	0.042	7.199	-0.167	-0.167	0.000	0.000	0.000	0.000
8	A	1011	TRP	0	-0.033	-0.021	6.780	0.013	0.013	0.000	0.000	0.000	0.000
9	A	1012	GLU	-1	-0.927	-0.971	9.579	-0.364	-0.364	0.000	0.000	0.000	0.000
10	A	1013	GLY	0	-0.028	-0.005	11.581	0.128	0.128	0.000	0.000	0.000	0.000
11	A	1014	PHE	0	-0.048	-0.016	11.686	0.023	0.023	0.000	0.000	0.000	0.000
12	A	1015	THR	0	-0.019	-0.003	12.830	-0.105	-0.105	0.000	0.000	0.000	0.000
13	A	1016	LYS	1	0.944	0.970	10.169	0.861	0.861	0.000	0.000	0.000	0.000
14	A	1017	GLY	0	0.025	-0.007	12.554	0.074	0.074	0.000	0.000	0.000	0.000
15	A	1018	ASP	-1	-0.838	-0.913	12.679	-0.266	-0.266	0.000	0.000	0.000	0.000
16	A	1019	TRP	0	-0.045	-0.016	10.331	-0.031	-0.031	0.000	0.000	0.000	0.000
17	A	1020	GLN	0	-0.009	0.008	8.136	-0.065	-0.065	0.000	0.000	0.000	0.000
18	A	1021	ASN	0	-0.093	-0.047	8.070	-0.052	-0.052	0.000	0.000	0.000	0.000
19	A	1022	GLU	-1	-0.875	-0.926	10.329	-0.087	-0.087	0.000	0.000	0.000	0.000
20	A	1023	VAL	0	-0.020	-0.008	12.731	-0.008	-0.008	0.000	0.000	0.000	0.000
21	A	1024	ASN	0	-0.049	-0.038	14.260	0.021	0.021	0.000	0.000	0.000	0.000
22	A	1025	VAL	0	0.056	0.013	15.888	-0.020	-0.020	0.000	0.000	0.000	0.000
23	A	1026	ARG	1	0.880	0.928	17.191	0.050	0.050	0.000	0.000	0.000	0.000
24	A	1027	ASP	-1	-0.757	-0.883	16.621	-0.191	-0.191	0.000	0.000	0.000	0.000
25	A	1028	PHE	0	0.058	0.033	13.890	-0.004	-0.004	0.000	0.000	0.000	0.000
26	A	1029	ILE	0	0.009	0.002	16.523	-0.006	-0.006	0.000	0.000	0.000	0.000
27	A	1030	GLN	0	-0.033	-0.020	19.781	-0.002	-0.002	0.000	0.000	0.000	0.000
28	A	1031	LYS	1	0.760	0.869	16.548	0.201	0.201	0.000	0.000	0.000	0.000
29	A	1032	ASN	0	-0.085	-0.044	15.591	-0.054	-0.054	0.000	0.000	0.000	0.000
30	A	1033	TYR	0	0.022	-0.006	19.153	0.018	0.018	0.000	0.000	0.000	0.000
31	A	1034	THR	0	-0.047	-0.039	21.930	-0.014	-0.014	0.000	0.000	0.000	0.000
32	A	1035	PRO	0	-0.030	0.013	25.100	0.012	0.012	0.000	0.000	0.000	0.000
33	A	1036	TYR	0	-0.049	-0.031	28.359	-0.002	-0.002	0.000	0.000	0.000	0.000
34	A	1037	GLU	-1	-0.939	-0.989	31.092	-0.017	-0.017	0.000	0.000	0.000	0.000
35	A	1038	GLY	0	-0.027	-0.010	34.087	0.001	0.001	0.000	0.000	0.000	0.000
36	A	1039	ASP	-1	-0.855	-0.923	35.923	0.020	0.020	0.000	0.000	0.000	0.000
37	A	1040	GLU	-1	-0.844	-0.953	36.725	0.028	0.028	0.000	0.000	0.000	0.000
38	A	1041	SER	0	-0.066	-0.037	37.788	0.005	0.005	0.000	0.000	0.000	0.000
39	A	1042	PHE	0	-0.107	-0.051	30.859	0.003	0.003	0.000	0.000	0.000	0.000
40	A	1043	LEU	0	-0.038	0.005	33.325	0.006	0.006	0.000	0.000	0.000	0.000
41	A	1044	ALA	0	0.011	0.016	33.520	-0.001	-0.001	0.000	0.000	0.000	0.000
42	A	1045	GLY	0	0.006	-0.007	35.567	0.001	0.001	0.000	0.000	0.000	0.000
43	A	1046	ALA	0	0.040	0.017	35.779	0.005	0.005	0.000	0.000	0.000	0.000
44	A	1047	THR	0	0.027	0.015	33.031	-0.005	-0.005	0.000	0.000	0.000	0.000
45	A	1048	GLU	-1	-0.900	-0.933	36.073	0.095	0.095	0.000	0.000	0.000	0.000
46	A	1049	ALA	0	0.048	0.040	33.280	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	1050	THR	0	0.030	0.010	33.315	0.003	0.003	0.000	0.000	0.000	0.000
48	A	1051	THR	0	-0.017	-0.014	34.916	-0.004	-0.004	0.000	0.000	0.000	0.000
49	A	1052	THR	0	-0.009	-0.024	37.870	0.000	0.000	0.000	0.000	0.000	0.000
50	A	1053	LEU	0	-0.060	-0.031	32.198	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	1054	TRP	0	0.092	0.021	36.528	0.000	0.000	0.000	0.000	0.000	0.000
52	A	1055	ASP	-1	-0.893	-0.942	38.093	0.075	0.075	0.000	0.000	0.000	0.000
53	A	1056	LYS	1	0.773	0.879	38.373	-0.097	-0.097	0.000	0.000	0.000	0.000
54	A	1057	VAL	0	-0.001	-0.012	35.971	-0.002	-0.002	0.000	0.000	0.000	0.000
55	A	1058	MET	0	-0.021	-0.016	39.289	-0.006	-0.006	0.000	0.000	0.000	0.000
56	A	1059	GLU	-1	-0.901	-0.915	42.375	0.081	0.081	0.000	0.000	0.000	0.000
57	A	1060	GLY	0	0.054	0.016	41.959	-0.004	-0.004	0.000	0.000	0.000	0.000
58	A	1061	VAL	0	0.037	0.020	41.052	-0.003	-0.003	0.000	0.000	0.000	0.000
59	A	1062	LYS	1	0.942	0.973	43.531	-0.074	-0.074	0.000	0.000	0.000	0.000
60	A	1063	LEU	0	-0.058	-0.029	45.775	-0.004	-0.004	0.000	0.000	0.000	0.000
61	A	1064	GLU	-1	-0.748	-0.849	42.074	0.076	0.076	0.000	0.000	0.000	0.000
62	A	1065	ASN	0	-0.012	-0.007	46.097	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	1066	ARG	1	0.916	0.957	48.794	-0.060	-0.060	0.000	0.000	0.000	0.000
64	A	1067	THR	0	-0.082	-0.065	49.075	-0.003	-0.003	0.000	0.000	0.000	0.000
65	A	1068	HIS	0	-0.039	-0.007	49.357	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	1069	ALA	0	-0.006	-0.009	47.637	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	1070	PRO	0	-0.025	-0.010	42.406	0.002	0.002	0.000	0.000	0.000	0.000
68	A	1071	VAL	0	-0.007	0.014	41.651	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	1072	ASP	-1	-0.807	-0.914	41.317	0.084	0.084	0.000	0.000	0.000	0.000
70	A	1073	PHE	0	0.004	-0.010	40.129	0.002	0.002	0.000	0.000	0.000	0.000
71	A	1074	ASP	-1	-0.830	-0.889	36.697	0.104	0.104	0.000	0.000	0.000	0.000
72	A	1075	THR	0	0.019	-0.006	40.138	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	1076	ALA	0	0.040	0.008	40.684	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	1077	VAL	0	-0.002	0.006	34.281	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	1078	ALA	0	-0.017	-0.003	35.030	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	1079	SER	0	-0.056	-0.044	31.388	0.008	0.008	0.000	0.000	0.000	0.000
77	A	1080	THR	0	-0.028	-0.028	28.056	-0.004	-0.004	0.000	0.000	0.000	0.000
78	A	1081	ILE	0	0.029	0.008	22.574	0.002	0.002	0.000	0.000	0.000	0.000
79	A	1082	THR	0	0.000	-0.008	22.654	0.009	0.009	0.000	0.000	0.000	0.000
80	A	1083	SER	0	-0.021	-0.007	25.720	0.003	0.003	0.000	0.000	0.000	0.000
81	A	1084	HIS	0	-0.023	0.001	29.145	0.003	0.003	0.000	0.000	0.000	0.000
82	A	1085	ASP	-1	-0.879	-0.916	27.922	0.199	0.199	0.000	0.000	0.000	0.000
83	A	1086	ALA	0	-0.003	-0.012	25.871	-0.004	-0.004	0.000	0.000	0.000	0.000
84	A	1087	GLY	0	0.021	0.005	27.716	-0.014	-0.014	0.000	0.000	0.000	0.000
85	A	1088	TYR	0	-0.071	-0.047	25.203	0.011	0.011	0.000	0.000	0.000	0.000
86	A	1089	ILE	0	-0.006	0.002	31.388	-0.011	-0.011	0.000	0.000	0.000	0.000
87	A	1090	ASN	0	-0.018	-0.037	32.693	0.000	0.000	0.000	0.000	0.000	0.000
88	A	1091	LYS	1	0.951	0.987	27.115	-0.239	-0.239	0.000	0.000	0.000	0.000
89	A	1092	GLN	0	-0.033	-0.021	29.023	0.017	0.017	0.000	0.000	0.000	0.000
90	A	1093	LEU	0	-0.015	0.008	30.792	0.000	0.000	0.000	0.000	0.000	0.000
91	A	1094	GLU	-1	-0.752	-0.874	28.057	0.187	0.187	0.000	0.000	0.000	0.000
92	A	1095	LYS	1	0.896	0.942	25.519	-0.179	-0.179	0.000	0.000	0.000	0.000
93	A	1096	ILE	0	-0.007	0.009	22.924	0.027	0.027	0.000	0.000	0.000	0.000
94	A	1097	VAL	0	-0.021	-0.024	23.100	-0.026	-0.026	0.000	0.000	0.000	0.000
95	A	1098	GLY	0	0.063	0.017	24.259	0.016	0.016	0.000	0.000	0.000	0.000
96	A	1099	LEU	0	0.001	0.015	26.108	-0.016	-0.016	0.000	0.000	0.000	0.000
97	A	1100	GLN	0	0.037	0.004	28.464	0.010	0.010	0.000	0.000	0.000	0.000
98	A	1101	THR	0	-0.008	-0.007	30.499	0.006	0.006	0.000	0.000	0.000	0.000
99	A	1102	GLU	-1	-0.777	-0.895	31.431	0.133	0.133	0.000	0.000	0.000	0.000
100	A	1103	ALA	0	-0.015	-0.001	32.933	0.004	0.004	0.000	0.000	0.000	0.000
101	A	1104	PRO	0	0.036	0.004	34.531	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	1105	LEU	0	-0.052	-0.015	35.697	-0.006	-0.006	0.000	0.000	0.000	0.000
103	A	1106	LYS	1	0.765	0.910	36.648	-0.117	-0.117	0.000	0.000	0.000	0.000
104	A	1107	ARG	1	0.785	0.883	36.340	-0.068	-0.068	0.000	0.000	0.000	0.000
105	A	1108	ALA	0	0.064	0.027	34.712	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	1109	LEU	0	-0.014	0.008	36.728	-0.007	-0.007	0.000	0.000	0.000	0.000
107	A	1110	ILE	0	0.016	0.006	33.326	0.003	0.003	0.000	0.000	0.000	0.000
108	A	1111	PRO	0	0.005	-0.010	35.700	-0.005	-0.005	0.000	0.000	0.000	0.000
109	A	1112	PHE	0	0.003	0.008	32.043	-0.007	-0.007	0.000	0.000	0.000	0.000
110	A	1113	GLY	0	0.068	0.035	36.511	-0.005	-0.005	0.000	0.000	0.000	0.000
111	A	1114	GLY	0	0.028	-0.012	38.549	-0.005	-0.005	0.000	0.000	0.000	0.000
112	A	1115	ILE	0	0.008	0.023	41.789	0.003	0.003	0.000	0.000	0.000	0.000
113	A	1116	LYS	1	0.907	0.936	43.440	-0.035	-0.035	0.000	0.000	0.000	0.000
114	A	1117	MET	0	0.013	0.021	43.351	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	1118	ILE	0	0.035	0.029	40.103	0.001	0.001	0.000	0.000	0.000	0.000
116	A	1119	GLU	-1	-0.821	-0.900	44.147	0.045	0.045	0.000	0.000	0.000	0.000
117	A	1120	GLY	0	0.011	0.010	47.552	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	1121	SER	0	0.026	-0.012	44.923	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	1122	CYS	0	-0.111	-0.046	45.631	0.001	0.001	0.000	0.000	0.000	0.000
120	A	1123	LYS	1	0.951	0.977	47.920	-0.041	-0.041	0.000	0.000	0.000	0.000
121	A	1124	ALA	0	0.029	0.019	49.950	-0.001	-0.001	0.000	0.000	0.000	0.000
122	A	1125	TYR	0	-0.047	-0.027	46.099	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	1126	ASN	0	-0.071	-0.033	50.008	0.000	0.000	0.000	0.000	0.000	0.000
124	A	1127	ARG	1	0.816	0.905	43.724	-0.072	-0.072	0.000	0.000	0.000	0.000
125	A	1128	GLU	-1	-0.936	-0.971	48.932	0.047	0.047	0.000	0.000	0.000	0.000
126	A	1129	LEU	0	-0.042	-0.032	43.141	0.003	0.003	0.000	0.000	0.000	0.000
127	A	1130	ASP	-1	-0.859	-0.924	43.150	0.064	0.064	0.000	0.000	0.000	0.000
128	A	1131	PRO	0	0.021	-0.012	44.749	0.000	0.000	0.000	0.000	0.000	0.000
129	A	1132	MET	0	-0.018	0.001	41.422	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	1133	ILE	0	0.029	0.023	38.179	-0.002	-0.002	0.000	0.000	0.000	0.000
131	A	1134	LYS	1	0.860	0.906	41.641	-0.045	-0.045	0.000	0.000	0.000	0.000
132	A	1135	LYS	1	0.848	0.914	44.346	-0.045	-0.045	0.000	0.000	0.000	0.000
133	A	1136	ILE	0	0.031	0.003	37.772	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	1137	PHE	0	-0.063	-0.036	35.389	-0.001	-0.001	0.000	0.000	0.000	0.000
135	A	1138	THR	0	-0.060	-0.042	41.153	-0.002	-0.002	0.000	0.000	0.000	0.000
136	A	1139	GLU	-1	-0.825	-0.876	44.062	0.038	0.038	0.000	0.000	0.000	0.000
137	A	1140	TYR	0	-0.100	-0.046	39.512	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	1141	ARG	1	0.880	0.948	32.616	-0.060	-0.060	0.000	0.000	0.000	0.000
139	A	1142	LYS	1	0.842	0.911	38.740	-0.028	-0.028	0.000	0.000	0.000	0.000
140	A	1143	THR	0	0.016	0.006	38.812	0.001	0.001	0.000	0.000	0.000	0.000
141	A	1144	HIS	0	-0.013	-0.019	38.110	-0.004	-0.004	0.000	0.000	0.000	0.000
142	A	1145	ASN	0	-0.029	-0.021	39.998	-0.003	-0.003	0.000	0.000	0.000	0.000
143	A	1146	GLN	0	-0.052	-0.027	43.477	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	1147	GLY	0	0.012	-0.002	42.533	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	1148	VAL	0	0.014	0.006	42.352	-0.003	-0.003	0.000	0.000	0.000	0.000
146	A	1149	PHE	0	-0.045	-0.036	44.835	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	1150	ASP	-1	-0.804	-0.854	46.716	0.026	0.026	0.000	0.000	0.000	0.000
148	A	1151	VAL	0	-0.049	-0.039	45.540	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	1152	TYR	0	-0.081	-0.062	46.884	-0.002	-0.002	0.000	0.000	0.000	0.000
150	A	1153	THR	0	0.059	0.039	50.003	0.000	0.000	0.000	0.000	0.000	0.000
151	A	1154	PRO	0	0.048	-0.004	53.356	0.001	0.001	0.000	0.000	0.000	0.000
152	A	1155	ASP	-1	-0.834	-0.904	55.728	0.012	0.012	0.000	0.000	0.000	0.000
153	A	1156	ILE	0	0.031	0.029	49.495	0.001	0.001	0.000	0.000	0.000	0.000
154	A	1157	LEU	0	-0.006	-0.005	52.204	0.001	0.001	0.000	0.000	0.000	0.000
155	A	1158	ARG	1	0.795	0.889	54.565	-0.012	-0.012	0.000	0.000	0.000	0.000
156	A	1159	CYS	0	-0.037	-0.021	53.628	0.000	0.000	0.000	0.000	0.000	0.000
157	A	1160	ARG	1	0.848	0.895	47.916	-0.028	-0.028	0.000	0.000	0.000	0.000
158	A	1161	LYS	1	0.865	0.936	53.325	-0.018	-0.018	0.000	0.000	0.000	0.000
159	A	1162	SER	0	-0.005	-0.010	56.504	0.000	0.000	0.000	0.000	0.000	0.000
160	A	1163	GLY	0	0.053	0.032	54.410	0.000	0.000	0.000	0.000	0.000	0.000
161	A	1164	VAL	0	-0.047	-0.003	54.156	0.000	0.000	0.000	0.000	0.000	0.000
162	A	1165	LEU	0	-0.035	0.008	50.090	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	1166	THR	0	-0.026	-0.024	49.750	0.002	0.002	0.000	0.000	0.000	0.000
164	A	1167	GLY	0	0.092	0.038	46.393	0.000	0.000	0.000	0.000	0.000	0.000
165	A	1168	LEU	0	-0.026	-0.020	44.512	0.001	0.001	0.000	0.000	0.000	0.000
166	A	1169	PRO	0	0.041	0.049	39.974	0.001	0.001	0.000	0.000	0.000	0.000
167	A	1170	ASP	-1	-0.768	-0.832	41.323	0.032	0.032	0.000	0.000	0.000	0.000
168	A	1171	ALA	0	0.030	0.004	43.069	0.000	0.000	0.000	0.000	0.000	0.000
169	A	1172	TYR	0	-0.055	-0.032	39.144	0.004	0.004	0.000	0.000	0.000	0.000
170	A	1173	GLY	0	0.020	0.022	36.128	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	1174	ARG	1	0.726	0.817	32.394	-0.045	-0.045	0.000	0.000	0.000	0.000
172	A	1175	GLY	0	-0.058	-0.043	33.197	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	1176	ARG	1	0.900	0.977	33.230	-0.043	-0.043	0.000	0.000	0.000	0.000
174	A	1177	ILE	0	-0.048	-0.013	27.491	-0.005	-0.005	0.000	0.000	0.000	0.000
175	A	1178	ILE	0	0.047	0.021	25.884	0.007	0.007	0.000	0.000	0.000	0.000
176	A	1179	GLY	0	-0.001	0.008	23.625	-0.007	-0.007	0.000	0.000	0.000	0.000
177	A	1180	ASP	-1	-0.766	-0.873	19.376	0.080	0.080	0.000	0.000	0.000	0.000
178	A	1181	TYR	0	0.035	-0.001	19.037	0.019	0.019	0.000	0.000	0.000	0.000
179	A	1182	ARG	1	0.795	0.866	18.091	-0.020	-0.020	0.000	0.000	0.000	0.000
180	A	1183	ARG	1	0.819	0.910	14.835	-0.039	-0.039	0.000	0.000	0.000	0.000
181	A	1184	VAL	0	0.025	0.012	13.278	0.049	0.049	0.000	0.000	0.000	0.000
182	A	1185	ALA	0	-0.018	-0.008	12.744	0.117	0.117	0.000	0.000	0.000	0.000
183	A	1186	LEU	0	-0.022	-0.007	11.835	0.098	0.098	0.000	0.000	0.000	0.000
184	A	1187	TYR	0	-0.016	-0.030	9.013	-0.031	-0.031	0.000	0.000	0.000	0.000
185	A	1188	GLY	0	0.013	0.020	8.180	0.212	0.212	0.000	0.000	0.000	0.000
186	A	1189	ILE	0	0.010	-0.017	10.112	-0.144	-0.144	0.000	0.000	0.000	0.000
187	A	1190	ASP	-1	-0.813	-0.912	7.326	1.159	1.159	0.000	0.000	0.000	0.000
188	A	1191	TYR	0	-0.050	-0.017	5.783	-0.302	-0.302	0.000	0.000	0.000	0.000
189	A	1192	LEU	0	0.046	0.019	8.533	-0.148	-0.148	0.000	0.000	0.000	0.000
190	A	1193	MET	0	-0.046	-0.016	11.601	-0.070	-0.070	0.000	0.000	0.000	0.000
191	A	1194	LYS	1	0.956	0.973	6.359	0.595	0.595	0.000	0.000	0.000	0.000
192	A	1195	ASP	-1	-0.851	-0.926	11.103	-0.052	-0.052	0.000	0.000	0.000	0.000
193	A	1196	LYS	1	0.863	0.933	12.856	-0.059	-0.059	0.000	0.000	0.000	0.000
194	A	1197	LEU	0	-0.005	0.006	12.955	-0.009	-0.009	0.000	0.000	0.000	0.000
195	A	1198	ALA	0	-0.019	0.010	13.866	-0.016	-0.016	0.000	0.000	0.000	0.000
196	A	1199	GLN	0	-0.010	-0.010	15.889	0.014	0.014	0.000	0.000	0.000	0.000
197	A	1200	PHE	0	0.005	0.017	18.679	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	1201	THR	0	-0.014	-0.033	17.570	0.002	0.002	0.000	0.000	0.000	0.000
199	A	1202	SER	0	-0.082	-0.037	19.949	0.002	0.002	0.000	0.000	0.000	0.000
200	A	1203	LEU	0	0.022	0.007	21.541	0.003	0.003	0.000	0.000	0.000	0.000
201	A	1204	GLN	0	-0.125	-0.060	23.180	0.001	0.001	0.000	0.000	0.000	0.000
202	A	1205	ALA	0	0.053	0.027	25.310	0.005	0.005	0.000	0.000	0.000	0.000
203	A	1206	ASP	-1	-0.847	-0.922	27.584	-0.044	-0.044	0.000	0.000	0.000	0.000
204	A	1207	LEU	0	-0.046	-0.026	27.683	0.005	0.005	0.000	0.000	0.000	0.000
205	A	1208	GLU	-1	-0.917	-0.954	27.588	-0.061	-0.061	0.000	0.000	0.000	0.000
206	A	1209	ASN	0	-0.105	-0.072	30.564	0.002	0.002	0.000	0.000	0.000	0.000
207	A	1210	GLY	0	-0.012	0.011	33.313	0.002	0.002	0.000	0.000	0.000	0.000
208	A	1211	VAL	0	-0.025	0.000	32.024	0.003	0.003	0.000	0.000	0.000	0.000
209	A	1212	ASN	0	-0.013	-0.013	32.981	0.002	0.002	0.000	0.000	0.000	0.000
210	A	1213	LEU	0	0.058	0.027	33.471	0.001	0.001	0.000	0.000	0.000	0.000
211	A	1214	GLU	-1	-0.894	-0.955	33.150	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	1215	GLN	0	-0.017	-0.013	32.936	0.003	0.003	0.000	0.000	0.000	0.000
213	A	1216	THR	0	0.030	0.017	28.208	0.002	0.002	0.000	0.000	0.000	0.000
214	A	1217	ILE	0	-0.022	-0.015	28.646	0.000	0.000	0.000	0.000	0.000	0.000
215	A	1218	ARG	1	0.926	0.982	29.235	-0.004	-0.004	0.000	0.000	0.000	0.000
216	A	1219	LEU	0	0.005	0.001	24.902	0.006	0.006	0.000	0.000	0.000	0.000
217	A	1220	ARG	1	0.939	0.976	22.985	0.045	0.045	0.000	0.000	0.000	0.000
218	A	1221	GLU	-1	-0.944	-0.967	24.570	0.028	0.028	0.000	0.000	0.000	0.000
219	A	1222	GLU	-1	-0.759	-0.846	25.794	0.031	0.031	0.000	0.000	0.000	0.000
220	A	1223	ILE	0	0.003	-0.004	20.132	0.011	0.011	0.000	0.000	0.000	0.000
221	A	1224	ALA	0	-0.029	-0.002	21.116	0.010	0.010	0.000	0.000	0.000	0.000
222	A	1225	GLU	-1	-0.818	-0.912	21.609	0.088	0.088	0.000	0.000	0.000	0.000
223	A	1226	GLN	0	-0.027	0.004	20.542	0.018	0.018	0.000	0.000	0.000	0.000
224	A	1227	HIS	0	-0.007	-0.005	14.247	0.036	0.036	0.000	0.000	0.000	0.000
225	A	1228	ARG	1	0.887	0.925	18.067	-0.043	-0.043	0.000	0.000	0.000	0.000
226	A	1229	ALA	0	-0.002	0.000	19.929	0.028	0.028	0.000	0.000	0.000	0.000
227	A	1230	LEU	0	-0.005	-0.012	15.322	0.031	0.031	0.000	0.000	0.000	0.000
228	A	1231	GLY	0	0.013	-0.003	16.020	0.062	0.062	0.000	0.000	0.000	0.000
229	A	1232	GLN	0	-0.032	-0.013	17.061	0.032	0.032	0.000	0.000	0.000	0.000
230	A	1233	MET	0	-0.006	0.012	17.613	0.017	0.017	0.000	0.000	0.000	0.000
231	A	1234	LYS	1	0.868	0.935	10.786	-0.656	-0.656	0.000	0.000	0.000	0.000
232	A	1235	GLU	-1	-0.905	-0.947	16.687	0.258	0.258	0.000	0.000	0.000	0.000
233	A	1236	MET	0	-0.029	-0.005	19.403	-0.013	-0.013	0.000	0.000	0.000	0.000
234	A	1237	ALA	0	-0.002	-0.005	17.447	-0.007	-0.007	0.000	0.000	0.000	0.000
235	A	1238	ALA	0	0.042	0.018	17.684	0.005	0.005	0.000	0.000	0.000	0.000
236	A	1239	LYS	1	0.780	0.891	19.057	-0.219	-0.219	0.000	0.000	0.000	0.000
237	A	1240	TYR	0	-0.079	-0.032	21.598	-0.032	-0.032	0.000	0.000	0.000	0.000
238	A	1241	GLY	0	-0.046	-0.022	20.340	0.004	0.004	0.000	0.000	0.000	0.000
239	A	1242	TYR	0	0.007	0.001	16.376	0.052	0.052	0.000	0.000	0.000	0.000
240	A	1243	ASP	-1	-0.798	-0.881	10.876	1.319	1.319	0.000	0.000	0.000	0.000
241	A	1244	ILE	0	-0.014	-0.003	12.285	0.143	0.143	0.000	0.000	0.000	0.000
242	A	1245	SER	0	-0.064	-0.052	9.100	0.170	0.170	0.000	0.000	0.000	0.000
243	A	1246	GLY	0	-0.031	-0.014	7.055	0.231	0.231	0.000	0.000	0.000	0.000
244	A	1247	PRO	0	-0.014	-0.004	6.104	-0.292	-0.292	0.000	0.000	0.000	0.000
245	A	1248	ALA	0	0.000	0.022	8.968	0.170	0.170	0.000	0.000	0.000	0.000
246	A	1249	THR	0	0.008	-0.014	10.726	-0.015	-0.015	0.000	0.000	0.000	0.000
247	A	1250	ASN	0	-0.056	-0.028	12.372	-0.208	-0.208	0.000	0.000	0.000	0.000
248	A	1251	ALA	0	0.030	0.003	16.124	0.014	0.014	0.000	0.000	0.000	0.000
249	A	1252	GLN	0	0.015	0.003	18.851	-0.035	-0.035	0.000	0.000	0.000	0.000
250	A	1253	GLU	-1	-0.845	-0.912	13.780	0.868	0.868	0.000	0.000	0.000	0.000
251	A	1254	ALA	0	0.032	0.025	15.814	-0.004	-0.004	0.000	0.000	0.000	0.000
252	A	1255	ILE	0	0.007	-0.007	16.688	-0.017	-0.017	0.000	0.000	0.000	0.000
253	A	1256	GLN	0	0.025	0.020	18.637	-0.031	-0.031	0.000	0.000	0.000	0.000
254	A	1257	TRP	0	-0.047	-0.031	11.680	-0.100	-0.100	0.000	0.000	0.000	0.000
255	A	1258	THR	0	-0.029	-0.024	17.261	-0.034	-0.034	0.000	0.000	0.000	0.000
256	A	1259	TYR	0	-0.032	-0.027	19.256	-0.029	-0.029	0.000	0.000	0.000	0.000
257	A	1260	PHE	0	0.033	0.019	18.091	-0.019	-0.019	0.000	0.000	0.000	0.000
258	A	1261	GLY	0	0.019	-0.003	19.761	-0.018	-0.018	0.000	0.000	0.000	0.000
259	A	1262	TYR	0	-0.028	-0.007	20.465	-0.021	-0.021	0.000	0.000	0.000	0.000
260	A	1263	LEU	0	-0.044	-0.013	23.787	-0.015	-0.015	0.000	0.000	0.000	0.000
261	A	1264	ALA	0	0.032	-0.001	22.295	-0.013	-0.013	0.000	0.000	0.000	0.000
262	A	1265	ALA	0	-0.008	0.007	24.375	-0.017	-0.017	0.000	0.000	0.000	0.000
263	A	1266	VAL	0	0.000	-0.005	26.427	-0.013	-0.013	0.000	0.000	0.000	0.000
264	A	1267	LYS	1	0.871	0.948	25.807	-0.198	-0.198	0.000	0.000	0.000	0.000
265	A	1268	SER	0	-0.076	-0.046	27.170	-0.009	-0.009	0.000	0.000	0.000	0.000
266	A	1269	GLN	0	-0.033	-0.017	29.638	-0.016	-0.016	0.000	0.000	0.000	0.000
267	A	1270	ASN	0	0.085	0.034	31.696	0.001	0.001	0.000	0.000	0.000	0.000
268	A	1271	GLY	0	0.014	0.008	33.636	-0.006	-0.006	0.000	0.000	0.000	0.000
269	A	1272	ALA	0	0.035	0.018	34.791	0.005	0.005	0.000	0.000	0.000	0.000
270	A	1273	ALA	0	0.009	0.002	34.739	0.002	0.002	0.000	0.000	0.000	0.000
271	A	1274	MET	0	-0.046	-0.006	29.634	0.000	0.000	0.000	0.000	0.000	0.000
272	A	1275	SER	0	-0.042	-0.054	29.786	0.008	0.008	0.000	0.000	0.000	0.000
273	A	1276	PHE	0	-0.004	-0.005	24.074	0.009	0.009	0.000	0.000	0.000	0.000
274	A	1277	GLY	0	0.029	0.005	25.388	0.008	0.008	0.000	0.000	0.000	0.000
275	A	1278	ARG	1	0.870	0.956	25.234	-0.016	-0.016	0.000	0.000	0.000	0.000
276	A	1279	THR	0	-0.020	-0.035	22.260	0.003	0.003	0.000	0.000	0.000	0.000
277	A	1280	SER	0	-0.013	-0.016	23.339	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	1281	THR	0	-0.006	-0.023	24.104	0.009	0.009	0.000	0.000	0.000	0.000
279	A	1282	PHE	0	0.015	0.017	15.830	-0.007	-0.007	0.000	0.000	0.000	0.000
280	A	1283	LEU	0	0.041	0.001	19.237	0.000	0.000	0.000	0.000	0.000	0.000
281	A	1284	ASP	-1	-0.789	-0.906	20.945	0.057	0.057	0.000	0.000	0.000	0.000
282	A	1285	VAL	0	-0.024	0.009	17.411	-0.005	-0.005	0.000	0.000	0.000	0.000
283	A	1286	TYR	0	-0.017	-0.017	12.237	-0.048	-0.048	0.000	0.000	0.000	0.000
284	A	1287	ILE	0	-0.004	-0.008	18.520	0.014	0.014	0.000	0.000	0.000	0.000
285	A	1288	GLU	-1	-0.779	-0.864	21.968	0.025	0.025	0.000	0.000	0.000	0.000
286	A	1289	ARG	1	0.760	0.874	12.046	-0.046	-0.046	0.000	0.000	0.000	0.000
287	A	1290	ASP	-1	-0.750	-0.873	18.254	0.233	0.233	0.000	0.000	0.000	0.000
288	A	1291	LEU	0	-0.004	0.025	20.938	0.004	0.004	0.000	0.000	0.000	0.000
289	A	1292	LYS	1	0.803	0.890	22.680	0.009	0.009	0.000	0.000	0.000	0.000
290	A	1293	ALA	0	-0.001	-0.012	20.747	-0.016	-0.016	0.000	0.000	0.000	0.000
291	A	1294	GLY	0	-0.055	-0.031	22.779	0.010	0.010	0.000	0.000	0.000	0.000
292	A	1295	LYS	1	0.785	0.890	16.570	-0.248	-0.248	0.000	0.000	0.000	0.000
293	A	1296	ILE	0	-0.003	0.008	22.970	0.019	0.019	0.000	0.000	0.000	0.000
294	A	1297	THR	0	0.023	-0.018	24.923	-0.024	-0.024	0.000	0.000	0.000	0.000
295	A	1298	GLU	-1	-0.735	-0.863	28.304	0.080	0.080	0.000	0.000	0.000	0.000
296	A	1299	GLN	0	0.018	0.001	29.883	0.002	0.002	0.000	0.000	0.000	0.000
297	A	1300	GLU	-1	-0.844	-0.905	27.058	0.172	0.172	0.000	0.000	0.000	0.000
298	A	1301	ALA	0	-0.046	-0.027	26.019	0.014	0.014	0.000	0.000	0.000	0.000
299	A	1302	GLN	0	0.005	-0.004	26.990	0.002	0.002	0.000	0.000	0.000	0.000
300	A	1303	GLU	-1	-0.809	-0.884	29.400	0.157	0.157	0.000	0.000	0.000	0.000
301	A	1304	MET	0	-0.032	-0.004	22.883	0.019	0.019	0.000	0.000	0.000	0.000
302	A	1305	VAL	0	0.005	0.002	26.321	0.006	0.006	0.000	0.000	0.000	0.000
303	A	1306	ASP	-1	-0.767	-0.881	27.932	0.100	0.100	0.000	0.000	0.000	0.000
304	A	1307	HIS	0	0.001	-0.008	28.145	0.009	0.009	0.000	0.000	0.000	0.000
305	A	1308	LEU	0	-0.036	-0.008	24.773	0.003	0.003	0.000	0.000	0.000	0.000
306	A	1309	VAL	0	0.036	-0.007	27.581	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	1310	MET	0	0.008	0.021	30.475	-0.009	-0.009	0.000	0.000	0.000	0.000
308	A	1311	LYS	1	0.763	0.873	27.789	-0.194	-0.194	0.000	0.000	0.000	0.000
309	A	1312	LEU	0	-0.026	-0.003	27.298	-0.007	-0.007	0.000	0.000	0.000	0.000
310	A	1313	ARG	1	0.834	0.925	31.080	-0.092	-0.092	0.000	0.000	0.000	0.000
311	A	1314	MET	0	-0.079	-0.050	33.071	-0.005	-0.005	0.000	0.000	0.000	0.000
312	A	1315	VAL	0	-0.018	0.023	31.710	0.000	0.000	0.000	0.000	0.000	0.000
313	A	1316	ARG	1	0.875	0.933	33.730	-0.094	-0.094	0.000	0.000	0.000	0.000
314	A	1317	PHE	0	0.024	0.001	32.502	0.004	0.004	0.000	0.000	0.000	0.000
315	A	1318	LEU	0	-0.015	0.007	37.988	-0.004	-0.004	0.000	0.000	0.000	0.000
316	A	1319	ARG	1	0.889	0.947	37.745	-0.065	-0.065	0.000	0.000	0.000	0.000
317	A	1320	THR	0	-0.016	-0.025	43.522	0.001	0.001	0.000	0.000	0.000	0.000
318	A	1321	PRO	0	0.068	0.024	47.285	0.000	0.000	0.000	0.000	0.000	0.000
319	A	1322	GLU	-1	-0.885	-0.913	49.185	0.041	0.041	0.000	0.000	0.000	0.000
320	A	1323	TYR	0	-0.063	-0.050	44.837	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	1324	ASP	-1	-0.866	-0.909	44.138	0.064	0.064	0.000	0.000	0.000	0.000
322	A	1325	GLU	-1	-0.980	-1.009	42.282	0.061	0.061	0.000	0.000	0.000	0.000
323	A	1326	LEU	0	-0.020	0.003	44.630	-0.003	-0.003	0.000	0.000	0.000	0.000
324	A	1327	PHE	0	-0.030	-0.011	48.241	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	1328	SER	0	-0.016	-0.020	47.881	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	1329	GLY	0	-0.038	-0.023	45.427	0.000	0.000	0.000	0.000	0.000	0.000
327	A	1330	ASP	-1	-0.848	-0.889	41.004	0.043	0.043	0.000	0.000	0.000	0.000
328	A	1331	PRO	0	0.003	0.003	40.034	0.003	0.003	0.000	0.000	0.000	0.000
329	A	1332	ILE	0	-0.075	-0.018	34.304	0.000	0.000	0.000	0.000	0.000	0.000
330	A	1333	TRP	0	0.085	0.018	35.229	-0.004	-0.004	0.000	0.000	0.000	0.000
331	A	1334	ALA	0	0.040	0.041	30.855	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	1335	THR	0	-0.046	-0.030	31.996	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	1336	GLU	-1	-0.754	-0.829	27.194	0.086	0.086	0.000	0.000	0.000	0.000
334	A	1337	SER	0	-0.053	-0.026	29.302	-0.008	-0.008	0.000	0.000	0.000	0.000
335	A	1338	ILE	0	0.030	0.001	29.215	0.001	0.001	0.000	0.000	0.000	0.000
336	A	1339	GLY	0	0.013	0.004	30.020	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	1340	GLY	0	0.067	0.050	30.286	-0.002	-0.002	0.000	0.000	0.000	0.000
338	A	1341	MET	0	-0.095	-0.021	31.732	0.000	0.000	0.000	0.000	0.000	0.000
339	A	1342	GLY	0	0.063	0.015	28.555	0.002	0.002	0.000	0.000	0.000	0.000
340	A	1343	LEU	0	-0.055	-0.046	28.195	0.000	0.000	0.000	0.000	0.000	0.000
341	A	1344	ASP	-1	-0.883	-0.918	26.922	-0.064	-0.064	0.000	0.000	0.000	0.000
342	A	1345	GLY	0	-0.022	-0.005	30.162	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	1346	ARG	1	0.816	0.910	23.803	0.079	0.079	0.000	0.000	0.000	0.000
344	A	1347	THR	0	0.030	-0.002	30.696	0.005	0.005	0.000	0.000	0.000	0.000
345	A	1348	LEU	0	0.020	0.014	25.861	-0.005	-0.005	0.000	0.000	0.000	0.000
346	A	1349	VAL	0	-0.014	0.023	28.491	0.009	0.009	0.000	0.000	0.000	0.000
347	A	1350	THR	0	0.008	-0.009	25.584	-0.003	-0.003	0.000	0.000	0.000	0.000
348	A	1351	LYS	1	0.847	0.924	27.735	-0.040	-0.040	0.000	0.000	0.000	0.000
349	A	1352	ASN	0	0.020	-0.018	24.716	0.009	0.009	0.000	0.000	0.000	0.000
350	A	1353	SER	0	-0.003	0.020	28.060	0.003	0.003	0.000	0.000	0.000	0.000
351	A	1354	PHE	0	0.002	0.002	30.586	0.002	0.002	0.000	0.000	0.000	0.000
352	A	1355	ARG	1	0.812	0.888	26.359	-0.076	-0.076	0.000	0.000	0.000	0.000
353	A	1356	PHE	0	0.008	-0.010	26.151	0.006	0.006	0.000	0.000	0.000	0.000
354	A	1357	LEU	0	-0.010	0.007	31.545	0.001	0.001	0.000	0.000	0.000	0.000
355	A	1358	ASN	0	0.004	-0.004	34.201	-0.005	-0.005	0.000	0.000	0.000	0.000
356	A	1359	THR	0	-0.029	-0.009	31.946	0.000	0.000	0.000	0.000	0.000	0.000
357	A	1360	LEU	0	-0.044	-0.025	35.210	0.001	0.001	0.000	0.000	0.000	0.000
358	A	1361	TYR	0	-0.115	-0.083	38.284	-0.004	-0.004	0.000	0.000	0.000	0.000
359	A	1362	THR	0	-0.101	-0.075	34.936	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	1363	MET	0	-0.019	-0.001	34.795	0.003	0.003	0.000	0.000	0.000	0.000
361	A	1364	GLY	0	-0.007	0.017	38.496	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	1365	PRO	0	0.023	0.021	39.776	0.003	0.003	0.000	0.000	0.000	0.000
363	A	1366	SER	0	-0.008	-0.021	38.100	0.002	0.002	0.000	0.000	0.000	0.000
364	A	1367	PRO	0	0.016	-0.003	39.061	0.000	0.000	0.000	0.000	0.000	0.000
365	A	1368	GLU	-1	-0.827	-0.930	35.299	0.078	0.078	0.000	0.000	0.000	0.000
366	A	1369	PRO	0	-0.003	0.032	32.551	0.001	0.001	0.000	0.000	0.000	0.000
367	A	1370	ASN	0	0.032	-0.006	34.228	-0.006	-0.006	0.000	0.000	0.000	0.000
368	A	1371	MET	0	-0.007	-0.003	32.469	0.001	0.001	0.000	0.000	0.000	0.000
369	A	1372	THR	0	-0.025	-0.005	34.073	-0.004	-0.004	0.000	0.000	0.000	0.000
370	A	1373	ILE	0	-0.037	-0.045	34.081	0.001	0.001	0.000	0.000	0.000	0.000
371	A	1374	LEU	0	-0.013	-0.007	30.897	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	1375	TRP	0	0.018	-0.003	34.925	-0.003	-0.003	0.000	0.000	0.000	0.000
373	A	1376	SER	0	0.017	-0.015	36.794	-0.003	-0.003	0.000	0.000	0.000	0.000
374	A	1377	GLU	-1	-0.867	-0.952	38.684	0.002	0.002	0.000	0.000	0.000	0.000
375	A	1378	LYS	1	0.893	0.943	37.499	0.017	0.017	0.000	0.000	0.000	0.000
376	A	1379	LEU	0	0.037	0.045	34.801	-0.002	-0.002	0.000	0.000	0.000	0.000
377	A	1380	PRO	0	0.038	0.021	34.522	0.000	0.000	0.000	0.000	0.000	0.000
378	A	1381	LEU	0	0.011	-0.003	37.725	0.004	0.004	0.000	0.000	0.000	0.000
379	A	1382	ASN	0	0.001	0.011	38.481	0.001	0.001	0.000	0.000	0.000	0.000
380	A	1383	PHE	0	0.080	0.035	34.490	0.003	0.003	0.000	0.000	0.000	0.000
381	A	1384	LYS	1	0.780	0.899	38.043	0.001	0.001	0.000	0.000	0.000	0.000
382	A	1385	LYS	1	0.920	0.947	40.825	-0.009	-0.009	0.000	0.000	0.000	0.000
383	A	1386	PHE	0	0.063	0.043	36.324	0.002	0.002	0.000	0.000	0.000	0.000
384	A	1387	ALA	0	0.069	0.049	38.826	0.003	0.003	0.000	0.000	0.000	0.000
385	A	1388	ALA	0	0.016	0.016	40.399	0.002	0.002	0.000	0.000	0.000	0.000
386	A	1389	LYS	1	0.839	0.908	43.253	-0.035	-0.035	0.000	0.000	0.000	0.000
387	A	1390	VAL	0	0.060	0.020	39.035	0.001	0.001	0.000	0.000	0.000	0.000
388	A	1391	SER	0	-0.035	-0.013	42.310	0.002	0.002	0.000	0.000	0.000	0.000
389	A	1392	ILE	0	-0.036	-0.008	43.954	0.000	0.000	0.000	0.000	0.000	0.000
390	A	1393	ASP	-1	-0.823	-0.872	44.562	0.036	0.036	0.000	0.000	0.000	0.000
391	A	1394	THR	0	-0.079	-0.061	41.683	0.002	0.002	0.000	0.000	0.000	0.000
392	A	1395	SER	0	-0.037	-0.011	44.427	0.000	0.000	0.000	0.000	0.000	0.000
393	A	1396	SER	0	-0.039	-0.041	40.331	0.002	0.002	0.000	0.000	0.000	0.000
394	A	1397	LEU	0	-0.056	0.000	37.111	0.002	0.002	0.000	0.000	0.000	0.000
395	A	1398	GLN	0	-0.013	-0.006	38.296	-0.006	-0.006	0.000	0.000	0.000	0.000
396	A	1399	TYR	0	-0.045	-0.025	38.438	0.000	0.000	0.000	0.000	0.000	0.000
397	A	1400	GLU	-1	-0.848	-0.924	37.016	0.021	0.021	0.000	0.000	0.000	0.000
398	A	1401	ASN	0	-0.015	-0.017	38.498	-0.003	-0.003	0.000	0.000	0.000	0.000
399	A	1402	ASP	-1	-0.675	-0.823	33.640	-0.004	-0.004	0.000	0.000	0.000	0.000
400	A	1403	ASP	-1	-0.842	-0.890	36.477	-0.012	-0.012	0.000	0.000	0.000	0.000
401	A	1404	LEU	0	-0.058	-0.015	38.798	-0.003	-0.003	0.000	0.000	0.000	0.000
402	A	1405	MET	0	0.036	0.020	34.966	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	1406	ARG	1	0.820	0.908	31.870	0.011	0.011	0.000	0.000	0.000	0.000
404	A	1407	PRO	0	-0.073	-0.046	33.689	-0.004	-0.004	0.000	0.000	0.000	0.000
405	A	1408	ASP	-1	-0.953	-0.954	36.036	-0.009	-0.009	0.000	0.000	0.000	0.000
406	A	1409	PHE	0	-0.013	-0.016	31.657	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	1410	ASN	0	-0.052	-0.022	31.468	-0.004	-0.004	0.000	0.000	0.000	0.000
408	A	1411	ASN	0	0.002	-0.010	25.838	0.000	0.000	0.000	0.000	0.000	0.000
409	A	1412	ASP	-1	-0.767	-0.858	26.222	-0.036	-0.036	0.000	0.000	0.000	0.000
410	A	1413	ASP	-1	-0.878	-0.930	22.773	0.018	0.018	0.000	0.000	0.000	0.000
411	A	1414	TYR	0	-0.039	-0.034	25.993	0.007	0.007	0.000	0.000	0.000	0.000
412	A	1415	ALA	0	0.004	-0.004	27.576	0.003	0.003	0.000	0.000	0.000	0.000
413	A	1416	ILE	0	0.046	0.018	29.574	-0.004	-0.004	0.000	0.000	0.000	0.000
414	A	1417	ALA	0	0.048	0.043	32.081	0.008	0.008	0.000	0.000	0.000	0.000
415	A	1418	CYS	0	-0.038	-0.015	34.019	-0.004	-0.004	0.000	0.000	0.000	0.000
416	A	1419	CYS	0	-0.043	-0.023	37.482	0.000	0.000	0.000	0.000	0.000	0.000
417	A	1420	VAL	0	-0.024	-0.008	35.569	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	1421	SER	0	0.035	0.026	36.602	0.001	0.001	0.000	0.000	0.000	0.000
419	A	1422	PRO	0	0.050	0.037	33.517	0.004	0.004	0.000	0.000	0.000	0.000
420	A	1423	MET	0	-0.039	-0.007	29.382	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	1424	ILE	0	0.022	0.009	25.548	0.004	0.004	0.000	0.000	0.000	0.000
422	A	1425	VAL	0	0.034	0.006	22.486	0.003	0.003	0.000	0.000	0.000	0.000
423	A	1426	GLY	0	0.003	0.012	22.138	-0.006	-0.006	0.000	0.000	0.000	0.000
424	A	1427	LYS	1	0.825	0.898	20.147	0.017	0.017	0.000	0.000	0.000	0.000
425	A	1428	GLN	0	0.028	0.019	25.358	-0.007	-0.007	0.000	0.000	0.000	0.000
426	A	1429	MET	0	-0.004	0.011	28.289	0.009	0.009	0.000	0.000	0.000	0.000
427	A	1430	GLN	0	-0.002	-0.029	30.231	-0.009	-0.009	0.000	0.000	0.000	0.000
428	A	1431	PHE	0	-0.040	-0.026	33.780	0.004	0.004	0.000	0.000	0.000	0.000
429	A	1432	PHE	0	0.030	0.006	36.290	-0.002	-0.002	0.000	0.000	0.000	0.000
430	A	1433	GLY	0	0.053	0.022	38.400	0.001	0.001	0.000	0.000	0.000	0.000
431	A	1434	ALA	0	-0.016	-0.005	41.988	0.001	0.001	0.000	0.000	0.000	0.000
432	A	1435	ARG	1	0.891	0.947	44.521	-0.025	-0.025	0.000	0.000	0.000	0.000
433	A	1436	ALA	0	0.024	0.022	47.660	0.001	0.001	0.000	0.000	0.000	0.000
434	A	1437	ASN	0	0.002	-0.026	50.794	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	1438	LEU	0	0.081	0.039	52.852	0.000	0.000	0.000	0.000	0.000	0.000
436	A	1439	ALA	0	0.022	0.031	55.827	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	1440	LYS	1	0.856	0.919	56.970	-0.018	-0.018	0.000	0.000	0.000	0.000
438	A	1441	THR	0	-0.034	-0.032	56.440	0.000	0.000	0.000	0.000	0.000	0.000
439	A	1442	MET	0	0.011	0.012	59.043	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	1443	LEU	0	-0.004	0.004	61.665	0.000	0.000	0.000	0.000	0.000	0.000
441	A	1444	TYR	0	-0.053	-0.062	58.894	0.000	0.000	0.000	0.000	0.000	0.000
442	A	1445	ALA	0	-0.034	0.000	62.608	0.000	0.000	0.000	0.000	0.000	0.000
443	A	1446	ILE	0	0.011	0.005	64.445	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	1447	ASN	0	0.000	0.005	66.832	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	1448	GLY	0	0.099	0.058	68.238	0.000	0.000	0.000	0.000	0.000	0.000
446	A	1449	GLY	0	-0.022	-0.027	64.006	0.000	0.000	0.000	0.000	0.000	0.000
447	A	1450	VAL	0	-0.032	-0.025	64.047	0.001	0.001	0.000	0.000	0.000	0.000
448	A	1451	ASP	-1	-0.794	-0.858	61.635	0.016	0.016	0.000	0.000	0.000	0.000
449	A	1452	GLU	-1	-0.734	-0.875	64.539	0.014	0.014	0.000	0.000	0.000	0.000
450	A	1453	LYS	1	0.806	0.889	63.000	-0.014	-0.014	0.000	0.000	0.000	0.000
451	A	1454	LEU	0	-0.079	-0.042	60.373	0.001	0.001	0.000	0.000	0.000	0.000
452	A	1455	LYS	1	0.836	0.917	64.985	-0.012	-0.012	0.000	0.000	0.000	0.000
453	A	1456	MET	0	0.009	0.015	60.269	0.001	0.001	0.000	0.000	0.000	0.000
454	A	1457	GLN	0	-0.025	-0.006	64.578	0.000	0.000	0.000	0.000	0.000	0.000
455	A	1458	VAL	0	-0.039	-0.025	59.608	0.001	0.001	0.000	0.000	0.000	0.000
456	A	1459	GLY	0	0.037	0.021	60.522	0.000	0.000	0.000	0.000	0.000	0.000
457	A	1460	PRO	0	-0.050	-0.027	60.805	0.000	0.000	0.000	0.000	0.000	0.000
458	A	1461	LYS	1	0.868	0.917	63.708	-0.007	-0.007	0.000	0.000	0.000	0.000
459	A	1462	SER	0	-0.029	-0.009	66.882	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	1463	GLU	-1	-0.847	-0.915	69.344	0.006	0.006	0.000	0.000	0.000	0.000
461	A	1464	PRO	0	-0.012	0.005	70.821	0.000	0.000	0.000	0.000	0.000	0.000
462	A	1465	ILE	0	0.033	0.029	68.686	0.000	0.000	0.000	0.000	0.000	0.000
463	A	1466	LYN	0	-0.029	-0.005	72.603	0.000	0.000	0.000	0.000	0.000	0.000
464	A	1467	GLY	0	0.031	0.018	76.167	0.000	0.000	0.000	0.000	0.000	0.000
465	A	1468	ASP	-1	-0.933	-0.967	77.388	0.005	0.005	0.000	0.000	0.000	0.000
466	A	1469	VAL	0	-0.024	-0.020	75.697	0.000	0.000	0.000	0.000	0.000	0.000
467	A	1470	LEU	0	-0.008	0.012	69.707	0.000	0.000	0.000	0.000	0.000	0.000
468	A	1471	ASN	0	0.015	-0.008	72.310	0.000	0.000	0.000	0.000	0.000	0.000
469	A	1472	TYR	0	0.024	0.001	63.450	0.000	0.000	0.000	0.000	0.000	0.000
470	A	1473	ASP	-1	-0.874	-0.943	67.424	0.001	0.001	0.000	0.000	0.000	0.000
471	A	1474	GLU	-1	-0.817	-0.899	67.987	0.004	0.004	0.000	0.000	0.000	0.000
472	A	1475	VAL	0	-0.013	-0.020	65.355	0.000	0.000	0.000	0.000	0.000	0.000
473	A	1476	MET	0	-0.001	-0.002	60.602	0.001	0.001	0.000	0.000	0.000	0.000
474	A	1477	GLU	-1	-0.933	-0.953	63.278	0.001	0.001	0.000	0.000	0.000	0.000
475	A	1478	ARG	0	-0.037	-0.021	64.477	0.000	0.000	0.000	0.000	0.000	0.000
476	A	1479	MET	0	-0.020	0.002	59.673	0.001	0.001	0.000	0.000	0.000	0.000
477	A	1480	ASP	-1	-0.841	-0.904	59.306	0.002	0.002	0.000	0.000	0.000	0.000
478	A	1481	HIS	0	-0.032	-0.030	59.394	0.000	0.000	0.000	0.000	0.000	0.000
479	A	1482	PHE	0	0.011	-0.001	59.205	0.001	0.001	0.000	0.000	0.000	0.000
480	A	1483	MET	0	-0.024	-0.012	55.037	0.001	0.001	0.000	0.000	0.000	0.000
481	A	1484	ASP	-1	-0.851	-0.915	55.121	0.002	0.002	0.000	0.000	0.000	0.000
482	A	1485	TRP	0	-0.013	-0.002	55.144	0.000	0.000	0.000	0.000	0.000	0.000
483	A	1486	LEU	0	0.001	-0.007	53.228	0.001	0.001	0.000	0.000	0.000	0.000
484	A	1487	ALA	0	0.019	0.018	51.245	0.001	0.001	0.000	0.000	0.000	0.000
485	A	1488	LYS	1	0.982	0.989	50.266	-0.003	-0.003	0.000	0.000	0.000	0.000
486	A	1489	GLN	0	0.024	0.025	50.618	0.001	0.001	0.000	0.000	0.000	0.000
487	A	1490	TYR	0	0.011	0.002	45.672	0.001	0.001	0.000	0.000	0.000	0.000
488	A	1491	ILE	0	0.038	0.014	44.748	0.002	0.002	0.000	0.000	0.000	0.000
489	A	1492	THR	0	-0.042	-0.029	45.657	0.000	0.000	0.000	0.000	0.000	0.000
490	A	1493	ALA	0	0.001	-0.005	46.420	0.001	0.001	0.000	0.000	0.000	0.000
491	A	1494	LEU	0	-0.007	0.003	42.394	0.002	0.002	0.000	0.000	0.000	0.000
492	A	1495	ASN	0	-0.013	-0.011	41.766	0.002	0.002	0.000	0.000	0.000	0.000
493	A	1496	ILE	0	-0.013	-0.004	41.554	0.001	0.001	0.000	0.000	0.000	0.000
494	A	1497	ILE	0	-0.002	-0.004	40.337	0.002	0.002	0.000	0.000	0.000	0.000
495	A	1498	HIS	0	0.035	-0.004	37.119	0.005	0.005	0.000	0.000	0.000	0.000
496	A	1499	TYR	0	0.020	0.030	36.775	0.002	0.002	0.000	0.000	0.000	0.000
497	A	1500	MET	0	-0.039	-0.017	37.359	0.002	0.002	0.000	0.000	0.000	0.000
498	A	1501	HIS	0	0.029	0.018	33.817	0.003	0.003	0.000	0.000	0.000	0.000
499	A	1502	ASP	-1	-0.775	-0.859	33.118	0.033	0.033	0.000	0.000	0.000	0.000
500	A	1503	LYS	1	0.898	0.970	32.774	-0.021	-0.021	0.000	0.000	0.000	0.000
501	A	1504	TYR	0	-0.038	-0.044	34.165	0.001	0.001	0.000	0.000	0.000	0.000
502	A	1505	SER	0	0.003	-0.001	33.235	0.006	0.006	0.000	0.000	0.000	0.000
503	A	1506	TYR	0	0.017	0.013	25.786	0.004	0.004	0.000	0.000	0.000	0.000
504	A	1507	GLU	-1	-0.757	-0.836	28.399	0.065	0.065	0.000	0.000	0.000	0.000
505	A	1508	ALA	0	0.015	-0.004	24.467	0.003	0.003	0.000	0.000	0.000	0.000
506	A	1509	SER	0	0.018	-0.003	22.500	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	1510	LEU	0	0.023	0.016	22.099	0.012	0.012	0.000	0.000	0.000	0.000
508	A	1511	MET	0	-0.018	0.000	23.031	-0.002	-0.002	0.000	0.000	0.000	0.000
509	A	1512	ALA	0	-0.040	-0.013	19.293	-0.011	-0.011	0.000	0.000	0.000	0.000
510	A	1513	LEU	0	-0.076	-0.043	17.415	0.013	0.013	0.000	0.000	0.000	0.000
511	A	1514	HIS	0	0.006	-0.001	19.832	-0.012	-0.012	0.000	0.000	0.000	0.000
512	A	1515	ASP	-1	-0.802	-0.886	20.006	-0.008	-0.008	0.000	0.000	0.000	0.000
513	A	1516	ARG	1	0.800	0.863	20.645	0.048	0.048	0.000	0.000	0.000	0.000
514	A	1517	ASP	-1	-0.823	-0.880	22.128	-0.023	-0.023	0.000	0.000	0.000	0.000
515	A	1518	VAL	0	-0.044	-0.006	24.921	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	1519	ILE	0	0.029	0.003	27.114	0.000	0.000	0.000	0.000	0.000	0.000
517	A	1520	ARG	1	0.905	0.962	28.887	-0.016	-0.016	0.000	0.000	0.000	0.000
518	A	1521	THR	0	0.025	0.005	33.056	-0.003	-0.003	0.000	0.000	0.000	0.000
519	A	1522	MET	0	-0.020	-0.012	36.368	0.005	0.005	0.000	0.000	0.000	0.000
520	A	1523	ALA	0	0.046	0.027	37.927	-0.002	-0.002	0.000	0.000	0.000	0.000
521	A	1524	CYS	0	-0.043	-0.012	39.763	0.002	0.002	0.000	0.000	0.000	0.000
522	A	1525	GLY	0	0.059	0.026	43.549	0.000	0.000	0.000	0.000	0.000	0.000
523	A	1526	ILE	0	-0.031	-0.010	45.648	0.000	0.000	0.000	0.000	0.000	0.000
524	A	1527	ALA	0	-0.017	-0.019	49.294	0.001	0.001	0.000	0.000	0.000	0.000
525	A	1528	GLY	0	0.038	0.010	51.573	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	1529	LEU	0	0.029	0.019	51.496	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	1530	SER	0	0.053	0.035	54.614	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	1531	VAL	0	0.041	0.018	56.546	-0.001	-0.001	0.000	0.000	0.000	0.000
529	A	1532	ALA	0	0.016	0.017	57.592	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	1533	ALA	0	-0.002	-0.002	57.717	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	1534	ASP	-1	-0.798	-0.894	59.731	0.009	0.009	0.000	0.000	0.000	0.000
532	A	1535	SER	0	-0.039	-0.033	62.407	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	1536	LEU	0	-0.017	-0.019	60.384	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	1537	SER	0	-0.009	-0.028	63.715	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	1538	ALA	0	0.014	-0.003	65.325	-0.001	-0.001	0.000	0.000	0.000	0.000
536	A	1539	ILE	0	-0.025	-0.014	66.674	0.000	0.000	0.000	0.000	0.000	0.000
537	A	1540	LYS	1	0.866	0.944	65.371	-0.003	-0.003	0.000	0.000	0.000	0.000
538	A	1541	TYR	0	-0.120	-0.076	64.853	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	1542	ALA	0	0.009	0.015	70.864	0.000	0.000	0.000	0.000	0.000	0.000
540	A	1543	LYS	1	0.935	0.977	73.207	-0.004	-0.004	0.000	0.000	0.000	0.000
541	A	1544	VAL	0	0.024	0.019	70.259	0.000	0.000	0.000	0.000	0.000	0.000
542	A	1545	LYS	1	0.881	0.932	73.613	-0.007	-0.007	0.000	0.000	0.000	0.000
543	A	1546	PRO	0	-0.031	-0.008	72.703	0.000	0.000	0.000	0.000	0.000	0.000
544	A	1547	ILE	0	0.001	0.008	74.180	0.000	0.000	0.000	0.000	0.000	0.000
545	A	1548	ARG	1	0.791	0.875	74.346	-0.007	-0.007	0.000	0.000	0.000	0.000
546	A	1549	ASP	-1	-0.775	-0.879	73.458	0.011	0.011	0.000	0.000	0.000	0.000
547	A	1550	GLU	-1	-0.913	-0.958	75.649	0.011	0.011	0.000	0.000	0.000	0.000
548	A	1551	ASP	-1	-0.970	-0.978	74.105	0.009	0.009	0.000	0.000	0.000	0.000
549	A	1552	GLY	0	-0.063	-0.034	75.091	0.000	0.000	0.000	0.000	0.000	0.000
550	A	1553	LEU	0	-0.056	-0.032	69.828	0.000	0.000	0.000	0.000	0.000	0.000
551	A	1554	ALA	0	-0.001	-0.010	69.890	0.000	0.000	0.000	0.000	0.000	0.000
552	A	1555	ILE	0	-0.037	-0.028	69.733	0.001	0.001	0.000	0.000	0.000	0.000
553	A	1556	ASP	-1	-0.857	-0.928	70.371	0.012	0.012	0.000	0.000	0.000	0.000
554	A	1557	PHE	0	-0.110	-0.062	67.625	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	1558	GLU	-1	-0.824	-0.882	72.381	0.008	0.008	0.000	0.000	0.000	0.000
556	A	1559	ILE	0	-0.015	-0.019	69.250	0.000	0.000	0.000	0.000	0.000	0.000
557	A	1560	GLU	-1	-0.984	-0.983	73.860	0.006	0.006	0.000	0.000	0.000	0.000
558	A	1561	GLY	0	0.006	-0.008	75.320	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	1562	GLU	-1	-0.964	-0.981	71.156	0.008	0.008	0.000	0.000	0.000	0.000
560	A	1563	TYR	0	-0.024	-0.007	65.170	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	1564	PRO	0	-0.037	-0.004	64.604	0.000	0.000	0.000	0.000	0.000	0.000
562	A	1565	GLN	0	0.033	0.010	62.745	0.001	0.001	0.000	0.000	0.000	0.000
563	A	1566	PHE	0	0.040	-0.001	53.397	0.000	0.000	0.000	0.000	0.000	0.000
564	A	1567	GLY	0	-0.021	0.013	56.104	0.001	0.001	0.000	0.000	0.000	0.000
565	A	1568	ASN	0	-0.043	-0.038	57.181	0.000	0.000	0.000	0.000	0.000	0.000
566	A	1569	ASN	0	0.033	0.021	55.573	0.000	0.000	0.000	0.000	0.000	0.000
567	A	1570	ASP	-1	-0.822	-0.891	58.954	0.002	0.002	0.000	0.000	0.000	0.000
568	A	1571	PRO	0	0.054	0.018	59.515	0.000	0.000	0.000	0.000	0.000	0.000
569	A	1572	ARG	1	0.787	0.891	60.548	-0.003	-0.003	0.000	0.000	0.000	0.000
570	A	1573	VAL	0	0.039	0.020	60.133	0.000	0.000	0.000	0.000	0.000	0.000
571	A	1574	ASP	-1	-0.848	-0.940	56.198	0.007	0.007	0.000	0.000	0.000	0.000
572	A	1575	ASP	-1	-0.916	-0.958	56.376	0.000	0.000	0.000	0.000	0.000	0.000
573	A	1576	LEU	0	-0.068	-0.025	57.716	0.000	0.000	0.000	0.000	0.000	0.000
574	A	1577	ALA	0	0.001	0.003	54.609	0.000	0.000	0.000	0.000	0.000	0.000
575	A	1578	VAL	0	0.015	0.000	52.200	0.000	0.000	0.000	0.000	0.000	0.000
576	A	1579	ASP	-1	-0.808	-0.876	53.580	0.001	0.001	0.000	0.000	0.000	0.000
577	A	1580	LEU	0	0.010	-0.003	55.370	0.000	0.000	0.000	0.000	0.000	0.000
578	A	1581	VAL	0	-0.002	-0.010	48.927	0.000	0.000	0.000	0.000	0.000	0.000
579	A	1582	GLU	-1	-0.894	-0.951	50.547	-0.003	-0.003	0.000	0.000	0.000	0.000
580	A	1583	ARG	1	0.805	0.878	51.601	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	1584	PHE	0	-0.003	-0.014	49.744	0.000	0.000	0.000	0.000	0.000	0.000
582	A	1585	MET	0	-0.004	0.001	44.653	0.000	0.000	0.000	0.000	0.000	0.000
583	A	1586	LYS	1	0.900	0.963	48.421	0.002	0.002	0.000	0.000	0.000	0.000
584	A	1587	LYS	1	0.730	0.849	50.602	-0.003	-0.003	0.000	0.000	0.000	0.000
585	A	1588	ILE	0	0.005	-0.020	46.166	0.000	0.000	0.000	0.000	0.000	0.000
586	A	1589	GLN	0	-0.065	-0.036	43.577	-0.001	-0.001	0.000	0.000	0.000	0.000
587	A	1590	LYS	1	0.877	0.975	46.691	-0.001	-0.001	0.000	0.000	0.000	0.000
588	A	1591	LEU	0	-0.102	-0.049	47.558	0.000	0.000	0.000	0.000	0.000	0.000
589	A	1592	HIS	0	0.028	0.023	44.605	0.000	0.000	0.000	0.000	0.000	0.000
590	A	1593	THR	0	0.009	-0.014	40.677	0.001	0.001	0.000	0.000	0.000	0.000
591	A	1594	TYR	0	-0.031	-0.049	34.722	-0.003	-0.003	0.000	0.000	0.000	0.000
592	A	1595	ARG	1	0.665	0.786	29.578	-0.014	-0.014	0.000	0.000	0.000	0.000
593	A	1596	ASP	-1	-0.885	-0.933	35.770	-0.006	-0.006	0.000	0.000	0.000	0.000
594	A	1597	ALA	0	-0.035	0.012	36.196	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	1598	ILE	0	0.046	0.029	37.022	0.001	0.001	0.000	0.000	0.000	0.000
596	A	1599	PRO	0	0.004	0.008	39.230	0.002	0.002	0.000	0.000	0.000	0.000
597	A	1600	THR	0	-0.006	0.004	38.440	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	1601	GLN	0	0.053	0.001	41.560	0.003	0.003	0.000	0.000	0.000	0.000
599	A	1602	SER	0	0.025	0.014	40.552	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	1603	VAL	0	-0.067	-0.023	42.688	0.001	0.001	0.000	0.000	0.000	0.000
601	A	1604	LEU	0	0.004	0.000	46.072	0.000	0.000	0.000	0.000	0.000	0.000
602	A	1605	THR	0	0.012	0.017	43.021	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	1606	ILE	0	0.012	0.006	45.833	0.000	0.000	0.000	0.000	0.000	0.000
604	A	1607	THR	0	0.026	0.000	43.716	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	1608	SER	0	-0.021	0.006	46.846	0.001	0.001	0.000	0.000	0.000	0.000
606	A	1609	ASN	0	-0.006	-0.011	44.327	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	1610	VAL	0	0.007	0.010	45.903	0.000	0.000	0.000	0.000	0.000	0.000
608	A	1611	VAL	0	0.010	0.007	46.893	0.000	0.000	0.000	0.000	0.000	0.000
609	A	1612	TYR	0	-0.005	-0.011	45.363	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	1613	GLY	0	0.007	0.014	49.892	0.001	0.001	0.000	0.000	0.000	0.000
611	A	1614	LYS	1	0.979	0.989	51.512	0.011	0.011	0.000	0.000	0.000	0.000

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