FMO DATABASE

FMODB ID: 39JGL

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	OptH
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	-14073874.063381
FMO2-HF: Nuclear repulsion	13828788.042415
FMO2-HF: Total energy	-245086.020966
FMO2-MP2: Total energy	-245793.079314

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.
-16.285	-18.654	14.521	-4.408	-7.745	0.029

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 : 0.008 / q_NPA : -0.004

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	0.990	0.978	1.840	-13.115	-17.528	14.095	-4.058	-5.625	0.030
4	A	1007	LEU	0	-0.023	-0.012	2.554	-6.057	-4.565	0.426	-0.204	-1.714	-0.001
5	A	1008	ALA	0	-0.051	0.000	3.524	0.100	0.477	0.001	-0.138	-0.240	0.000
6	A	1009	THR	0	0.021	0.029	5.026	-0.383	-0.208	-0.001	-0.008	-0.166	0.000
7	A	1010	ALA	0	0.079	0.047	7.108	-0.465	-0.465	0.000	0.000	0.000	0.000
8	A	1011	TRP	0	-0.053	-0.037	7.498	-0.191	-0.191	0.000	0.000	0.000	0.000
9	A	1012	GLU	-1	-0.923	-0.974	9.591	0.217	0.217	0.000	0.000	0.000	0.000
10	A	1013	GLY	0	-0.050	-0.025	11.509	0.062	0.062	0.000	0.000	0.000	0.000
11	A	1014	PHE	0	-0.060	-0.018	11.777	-0.010	-0.010	0.000	0.000	0.000	0.000
12	A	1015	THR	0	-0.016	-0.009	12.813	-0.083	-0.083	0.000	0.000	0.000	0.000
13	A	1016	LYS	1	0.946	0.973	10.270	0.639	0.639	0.000	0.000	0.000	0.000
14	A	1017	GLY	0	-0.002	-0.016	12.613	0.063	0.063	0.000	0.000	0.000	0.000
15	A	1018	ASP	-1	-0.827	-0.898	12.785	-0.268	-0.268	0.000	0.000	0.000	0.000
16	A	1019	TRP	0	-0.100	-0.048	10.442	-0.036	-0.036	0.000	0.000	0.000	0.000
17	A	1020	GLN	0	-0.026	-0.001	8.214	-0.065	-0.065	0.000	0.000	0.000	0.000
18	A	1021	ASN	0	-0.094	-0.051	8.252	-0.003	-0.003	0.000	0.000	0.000	0.000
19	A	1022	GLU	-1	-0.921	-0.953	10.516	-0.240	-0.240	0.000	0.000	0.000	0.000
20	A	1023	VAL	0	-0.002	-0.003	12.789	0.028	0.028	0.000	0.000	0.000	0.000
21	A	1024	ASN	0	0.009	-0.004	14.282	0.036	0.036	0.000	0.000	0.000	0.000
22	A	1025	VAL	0	0.063	0.016	15.955	0.001	0.001	0.000	0.000	0.000	0.000
23	A	1026	ARG	1	0.872	0.934	17.175	0.061	0.061	0.000	0.000	0.000	0.000
24	A	1027	ASP	-1	-0.820	-0.931	16.493	-0.144	-0.144	0.000	0.000	0.000	0.000
25	A	1028	PHE	0	0.048	0.025	13.783	0.003	0.003	0.000	0.000	0.000	0.000
26	A	1029	ILE	0	0.015	0.002	16.660	0.008	0.008	0.000	0.000	0.000	0.000
27	A	1030	GLN	0	-0.024	-0.015	19.904	0.005	0.005	0.000	0.000	0.000	0.000
28	A	1031	LYS	1	0.871	0.932	16.746	0.135	0.135	0.000	0.000	0.000	0.000
29	A	1032	ASN	0	-0.079	-0.031	15.534	-0.025	-0.025	0.000	0.000	0.000	0.000
30	A	1033	TYR	0	-0.001	-0.038	19.210	0.027	0.027	0.000	0.000	0.000	0.000
31	A	1034	THR	0	-0.031	-0.030	22.001	-0.016	-0.016	0.000	0.000	0.000	0.000
32	A	1035	PRO	0	-0.039	0.002	25.148	0.009	0.009	0.000	0.000	0.000	0.000
33	A	1036	TYR	0	-0.070	-0.024	28.424	0.003	0.003	0.000	0.000	0.000	0.000
34	A	1037	GLU	-1	-0.939	-0.989	31.148	0.022	0.022	0.000	0.000	0.000	0.000
35	A	1038	GLY	0	-0.028	-0.031	34.128	-0.002	-0.002	0.000	0.000	0.000	0.000
36	A	1039	ASP	-1	-0.885	-0.968	35.963	0.060	0.060	0.000	0.000	0.000	0.000
37	A	1040	GLU	-1	-0.848	-0.934	36.639	0.066	0.066	0.000	0.000	0.000	0.000
38	A	1041	SER	0	-0.038	0.000	37.705	0.007	0.007	0.000	0.000	0.000	0.000
39	A	1042	PHE	0	-0.091	-0.041	31.228	0.004	0.004	0.000	0.000	0.000	0.000
40	A	1043	LEU	0	-0.032	0.003	33.586	0.010	0.010	0.000	0.000	0.000	0.000
41	A	1044	ALA	0	0.022	0.026	33.407	-0.001	-0.001	0.000	0.000	0.000	0.000
42	A	1045	GLY	0	-0.011	-0.018	35.478	-0.001	-0.001	0.000	0.000	0.000	0.000
43	A	1046	ALA	0	0.025	0.009	35.687	0.008	0.008	0.000	0.000	0.000	0.000
44	A	1047	THR	0	0.022	0.039	32.968	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	1048	GLU	-1	-0.895	-0.946	35.919	0.130	0.130	0.000	0.000	0.000	0.000
46	A	1049	ALA	0	0.062	0.029	33.077	-0.005	-0.005	0.000	0.000	0.000	0.000
47	A	1050	THR	0	0.021	0.003	33.134	0.001	0.001	0.000	0.000	0.000	0.000
48	A	1051	THR	0	-0.015	-0.005	34.808	-0.007	-0.007	0.000	0.000	0.000	0.000
49	A	1052	THR	0	-0.006	-0.028	37.500	-0.002	-0.002	0.000	0.000	0.000	0.000
50	A	1053	LEU	0	-0.062	-0.036	32.058	-0.005	-0.005	0.000	0.000	0.000	0.000
51	A	1054	TRP	0	0.105	0.027	36.454	-0.004	-0.004	0.000	0.000	0.000	0.000
52	A	1055	ASP	-1	-0.896	-0.942	38.039	0.096	0.096	0.000	0.000	0.000	0.000
53	A	1056	LYS	1	0.893	0.953	38.255	-0.118	-0.118	0.000	0.000	0.000	0.000
54	A	1057	VAL	0	-0.025	-0.018	36.039	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	1058	MET	0	-0.029	-0.023	39.277	-0.009	-0.009	0.000	0.000	0.000	0.000
56	A	1059	GLU	-1	-0.987	-0.974	42.362	0.089	0.089	0.000	0.000	0.000	0.000
57	A	1060	GLY	0	0.051	0.011	41.984	-0.005	-0.005	0.000	0.000	0.000	0.000
58	A	1061	VAL	0	0.038	0.025	41.013	-0.004	-0.004	0.000	0.000	0.000	0.000
59	A	1062	LYS	1	0.957	0.980	43.562	-0.083	-0.083	0.000	0.000	0.000	0.000
60	A	1063	LEU	0	-0.073	-0.038	45.681	-0.005	-0.005	0.000	0.000	0.000	0.000
61	A	1064	GLU	-1	-0.723	-0.829	42.014	0.069	0.069	0.000	0.000	0.000	0.000
62	A	1065	ASN	0	0.000	-0.007	46.078	-0.001	-0.001	0.000	0.000	0.000	0.000
63	A	1066	ARG	1	0.916	0.954	48.748	-0.062	-0.062	0.000	0.000	0.000	0.000
64	A	1067	THR	0	-0.096	-0.064	49.054	-0.003	-0.003	0.000	0.000	0.000	0.000
65	A	1068	HIS	0	-0.030	-0.003	49.371	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	1069	ALA	0	-0.016	-0.018	47.690	-0.003	-0.003	0.000	0.000	0.000	0.000
67	A	1070	PRO	0	-0.030	-0.016	42.518	0.003	0.003	0.000	0.000	0.000	0.000
68	A	1071	VAL	0	0.011	0.022	41.703	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	1072	ASP	-1	-0.833	-0.929	41.401	0.070	0.070	0.000	0.000	0.000	0.000
70	A	1073	PHE	0	-0.031	-0.029	40.054	0.002	0.002	0.000	0.000	0.000	0.000
71	A	1074	ASP	-1	-0.863	-0.919	36.478	0.074	0.074	0.000	0.000	0.000	0.000
72	A	1075	THR	0	-0.010	-0.015	39.857	-0.004	-0.004	0.000	0.000	0.000	0.000
73	A	1076	ALA	0	0.034	0.004	40.334	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	1077	VAL	0	0.014	0.015	33.878	-0.004	-0.004	0.000	0.000	0.000	0.000
75	A	1078	ALA	0	-0.032	-0.008	34.747	-0.001	-0.001	0.000	0.000	0.000	0.000
76	A	1079	SER	0	-0.047	-0.050	31.042	0.005	0.005	0.000	0.000	0.000	0.000
77	A	1080	THR	0	-0.016	-0.016	27.862	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	1081	ILE	0	0.028	0.012	22.178	0.008	0.008	0.000	0.000	0.000	0.000
79	A	1082	THR	0	-0.019	-0.018	22.375	0.016	0.016	0.000	0.000	0.000	0.000
80	A	1083	SER	0	-0.028	-0.013	25.375	0.006	0.006	0.000	0.000	0.000	0.000
81	A	1084	HIS	0	-0.030	0.006	28.818	0.002	0.002	0.000	0.000	0.000	0.000
82	A	1085	ASP	-1	-0.939	-0.959	27.630	0.151	0.151	0.000	0.000	0.000	0.000
83	A	1086	ALA	0	-0.033	-0.048	25.994	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	1087	GLY	0	0.041	0.015	27.748	-0.013	-0.013	0.000	0.000	0.000	0.000
85	A	1088	TYR	0	-0.075	-0.047	25.980	0.022	0.022	0.000	0.000	0.000	0.000
86	A	1089	ILE	0	-0.013	-0.001	31.380	-0.014	-0.014	0.000	0.000	0.000	0.000
87	A	1090	ASN	0	-0.011	-0.042	32.644	0.003	0.003	0.000	0.000	0.000	0.000
88	A	1091	LYS	1	0.949	0.982	27.249	-0.252	-0.252	0.000	0.000	0.000	0.000
89	A	1092	GLN	0	-0.050	-0.028	28.924	0.016	0.016	0.000	0.000	0.000	0.000
90	A	1093	LEU	0	-0.006	0.027	30.649	0.006	0.006	0.000	0.000	0.000	0.000
91	A	1094	GLU	-1	-0.787	-0.901	28.108	0.213	0.213	0.000	0.000	0.000	0.000
92	A	1095	LYS	1	0.886	0.949	25.153	-0.268	-0.268	0.000	0.000	0.000	0.000
93	A	1096	ILE	0	-0.003	0.004	22.876	0.034	0.034	0.000	0.000	0.000	0.000
94	A	1097	VAL	0	-0.028	-0.021	22.934	-0.031	-0.031	0.000	0.000	0.000	0.000
95	A	1098	GLY	0	0.044	0.008	24.274	0.012	0.012	0.000	0.000	0.000	0.000
96	A	1099	LEU	0	0.022	0.030	26.148	-0.013	-0.013	0.000	0.000	0.000	0.000
97	A	1100	GLN	0	0.038	0.016	28.557	0.009	0.009	0.000	0.000	0.000	0.000
98	A	1101	THR	0	0.002	0.000	30.443	0.000	0.000	0.000	0.000	0.000	0.000
99	A	1102	GLU	-1	-0.789	-0.912	31.511	0.114	0.114	0.000	0.000	0.000	0.000
100	A	1103	ALA	0	-0.007	0.004	32.954	0.009	0.009	0.000	0.000	0.000	0.000
101	A	1104	PRO	0	0.017	-0.002	34.282	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	1105	LEU	0	-0.033	-0.012	35.757	-0.006	-0.006	0.000	0.000	0.000	0.000
103	A	1106	LYS	1	0.831	0.963	36.712	-0.095	-0.095	0.000	0.000	0.000	0.000
104	A	1107	ARG	1	0.826	0.923	36.412	-0.058	-0.058	0.000	0.000	0.000	0.000
105	A	1108	ALA	0	0.066	0.029	34.621	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	1109	LEU	0	-0.017	0.002	36.485	-0.006	-0.006	0.000	0.000	0.000	0.000
107	A	1110	ILE	0	0.015	0.008	33.190	0.000	0.000	0.000	0.000	0.000	0.000
108	A	1111	PRO	0	-0.003	-0.009	35.208	-0.004	-0.004	0.000	0.000	0.000	0.000
109	A	1112	PHE	0	0.024	0.008	31.718	-0.006	-0.006	0.000	0.000	0.000	0.000
110	A	1113	GLY	0	0.064	0.037	36.254	-0.005	-0.005	0.000	0.000	0.000	0.000
111	A	1114	GLY	0	0.047	-0.006	38.270	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	1115	ILE	0	0.018	0.024	41.408	0.004	0.004	0.000	0.000	0.000	0.000
113	A	1116	LYS	1	0.980	0.983	43.162	0.000	0.000	0.000	0.000	0.000	0.000
114	A	1117	MET	0	0.003	0.017	42.908	0.001	0.001	0.000	0.000	0.000	0.000
115	A	1118	ILE	0	0.042	0.035	39.854	0.003	0.003	0.000	0.000	0.000	0.000
116	A	1119	GLU	-1	-0.882	-0.959	43.826	0.017	0.017	0.000	0.000	0.000	0.000
117	A	1120	GLY	0	0.007	0.008	47.235	0.001	0.001	0.000	0.000	0.000	0.000
118	A	1121	SER	0	0.027	-0.017	44.834	0.000	0.000	0.000	0.000	0.000	0.000
119	A	1122	CYS	0	-0.099	-0.033	45.321	0.002	0.002	0.000	0.000	0.000	0.000
120	A	1123	LYS	1	0.954	0.979	47.630	-0.020	-0.020	0.000	0.000	0.000	0.000
121	A	1124	ALA	0	0.019	0.014	49.838	0.001	0.001	0.000	0.000	0.000	0.000
122	A	1125	TYR	0	-0.049	-0.027	46.642	0.000	0.000	0.000	0.000	0.000	0.000
123	A	1126	ASN	0	-0.051	-0.023	49.936	0.001	0.001	0.000	0.000	0.000	0.000
124	A	1127	ARG	1	0.856	0.929	44.178	-0.052	-0.052	0.000	0.000	0.000	0.000
125	A	1128	GLU	-1	-0.916	-0.971	48.578	0.027	0.027	0.000	0.000	0.000	0.000
126	A	1129	LEU	0	-0.045	-0.030	42.786	0.003	0.003	0.000	0.000	0.000	0.000
127	A	1130	ASP	-1	-0.842	-0.915	42.833	0.032	0.032	0.000	0.000	0.000	0.000
128	A	1131	PRO	0	0.006	-0.009	44.446	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	1132	MET	0	-0.022	-0.007	41.022	-0.004	-0.004	0.000	0.000	0.000	0.000
130	A	1133	ILE	0	0.040	0.028	38.136	-0.004	-0.004	0.000	0.000	0.000	0.000
131	A	1134	LYS	1	0.910	0.960	41.355	-0.015	-0.015	0.000	0.000	0.000	0.000
132	A	1135	LYS	1	0.940	0.981	44.118	-0.009	-0.009	0.000	0.000	0.000	0.000
133	A	1136	ILE	0	0.022	0.000	37.554	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	1137	PHE	0	-0.064	-0.041	35.440	-0.004	-0.004	0.000	0.000	0.000	0.000
135	A	1138	THR	0	-0.053	-0.025	40.914	0.000	0.000	0.000	0.000	0.000	0.000
136	A	1139	GLU	-1	-0.943	-0.985	43.873	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	1140	TYR	0	-0.072	-0.013	39.199	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	1141	ARG	1	0.869	0.959	32.497	0.012	0.012	0.000	0.000	0.000	0.000
139	A	1142	LYS	1	0.870	0.940	38.545	0.023	0.023	0.000	0.000	0.000	0.000
140	A	1143	THR	0	0.016	0.009	38.564	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	1144	HIS	0	-0.019	-0.023	37.792	-0.005	-0.005	0.000	0.000	0.000	0.000
142	A	1145	ASN	0	-0.058	-0.035	39.613	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	1146	GLN	0	-0.079	-0.035	43.111	0.001	0.001	0.000	0.000	0.000	0.000
144	A	1147	GLY	0	0.006	-0.009	42.112	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	1148	VAL	0	0.023	0.012	42.072	-0.002	-0.002	0.000	0.000	0.000	0.000
146	A	1149	PHE	0	-0.058	-0.043	44.474	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	1150	ASP	-1	-0.839	-0.897	46.263	-0.013	-0.013	0.000	0.000	0.000	0.000
148	A	1151	VAL	0	-0.061	-0.040	45.001	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	1152	TYR	0	-0.073	-0.062	46.801	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	1153	THR	0	0.052	0.039	49.754	0.000	0.000	0.000	0.000	0.000	0.000
151	A	1154	PRO	0	0.038	-0.009	53.160	0.001	0.001	0.000	0.000	0.000	0.000
152	A	1155	ASP	-1	-0.873	-0.937	55.600	-0.011	-0.011	0.000	0.000	0.000	0.000
153	A	1156	ILE	0	0.033	0.027	49.418	0.001	0.001	0.000	0.000	0.000	0.000
154	A	1157	LEU	0	-0.011	-0.007	52.104	0.002	0.002	0.000	0.000	0.000	0.000
155	A	1158	ARG	1	0.839	0.931	54.439	0.010	0.010	0.000	0.000	0.000	0.000
156	A	1159	CYS	0	-0.029	-0.012	53.621	0.001	0.001	0.000	0.000	0.000	0.000
157	A	1160	ARG	1	0.893	0.944	48.360	0.000	0.000	0.000	0.000	0.000	0.000
158	A	1161	LYS	1	0.924	0.970	53.340	0.000	0.000	0.000	0.000	0.000	0.000
159	A	1162	SER	0	-0.002	0.012	56.517	0.001	0.001	0.000	0.000	0.000	0.000
160	A	1163	GLY	0	0.034	0.008	54.418	0.001	0.001	0.000	0.000	0.000	0.000
161	A	1164	VAL	0	-0.067	-0.012	54.163	0.000	0.000	0.000	0.000	0.000	0.000
162	A	1165	LEU	0	-0.014	0.010	49.867	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	1166	THR	0	-0.038	-0.026	49.732	0.001	0.001	0.000	0.000	0.000	0.000
164	A	1167	GLY	0	0.109	0.043	46.396	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	1168	LEU	0	-0.041	-0.028	44.518	0.000	0.000	0.000	0.000	0.000	0.000
166	A	1169	PRO	0	0.033	0.050	40.000	0.002	0.002	0.000	0.000	0.000	0.000
167	A	1170	ASP	-1	-0.770	-0.873	41.340	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	1171	ALA	0	0.025	0.002	43.116	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	1172	TYR	0	-0.071	-0.050	38.953	0.003	0.003	0.000	0.000	0.000	0.000
170	A	1173	GLY	0	0.029	0.033	36.139	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	1174	ARG	1	0.750	0.848	32.226	0.022	0.022	0.000	0.000	0.000	0.000
172	A	1175	GLY	0	-0.060	-0.044	33.205	0.002	0.002	0.000	0.000	0.000	0.000
173	A	1176	ARG	1	0.966	1.006	33.221	-0.011	-0.011	0.000	0.000	0.000	0.000
174	A	1177	ILE	0	-0.056	-0.016	27.494	-0.005	-0.005	0.000	0.000	0.000	0.000
175	A	1178	ILE	0	0.065	0.030	25.833	0.009	0.009	0.000	0.000	0.000	0.000
176	A	1179	GLY	0	0.001	0.008	23.623	-0.011	-0.011	0.000	0.000	0.000	0.000
177	A	1180	ASP	-1	-0.778	-0.884	19.618	0.050	0.050	0.000	0.000	0.000	0.000
178	A	1181	TYR	0	0.026	-0.007	19.027	0.001	0.001	0.000	0.000	0.000	0.000
179	A	1182	ARG	1	0.823	0.887	18.016	-0.007	-0.007	0.000	0.000	0.000	0.000
180	A	1183	ARG	1	0.848	0.937	14.818	0.090	0.090	0.000	0.000	0.000	0.000
181	A	1184	VAL	0	0.016	0.013	13.256	0.036	0.036	0.000	0.000	0.000	0.000
182	A	1185	ALA	0	-0.019	-0.013	12.709	0.113	0.113	0.000	0.000	0.000	0.000
183	A	1186	LEU	0	-0.028	-0.011	11.577	0.128	0.128	0.000	0.000	0.000	0.000
184	A	1187	TYR	0	0.005	-0.006	8.954	0.005	0.005	0.000	0.000	0.000	0.000
185	A	1188	GLY	0	0.015	0.023	8.165	0.107	0.107	0.000	0.000	0.000	0.000
186	A	1189	ILE	0	0.009	-0.017	10.088	-0.247	-0.247	0.000	0.000	0.000	0.000
187	A	1190	ASP	-1	-0.846	-0.945	7.161	-0.204	-0.204	0.000	0.000	0.000	0.000
188	A	1191	TYR	0	-0.050	-0.020	5.965	-0.418	-0.418	0.000	0.000	0.000	0.000
189	A	1192	LEU	0	0.048	0.021	8.474	-0.060	-0.060	0.000	0.000	0.000	0.000
190	A	1193	MET	0	-0.040	-0.018	11.430	-0.012	-0.012	0.000	0.000	0.000	0.000
191	A	1194	LYS	1	0.947	0.970	6.643	1.652	1.652	0.000	0.000	0.000	0.000
192	A	1195	ASP	-1	-0.882	-0.946	10.826	-0.297	-0.297	0.000	0.000	0.000	0.000
193	A	1196	LYS	1	0.834	0.909	12.860	0.194	0.194	0.000	0.000	0.000	0.000
194	A	1197	LEU	0	-0.020	-0.001	12.639	0.030	0.030	0.000	0.000	0.000	0.000
195	A	1198	ALA	0	-0.007	0.010	13.946	0.012	0.012	0.000	0.000	0.000	0.000
196	A	1199	GLN	0	0.044	0.030	15.804	0.069	0.069	0.000	0.000	0.000	0.000
197	A	1200	PHE	0	0.002	0.016	18.483	0.025	0.025	0.000	0.000	0.000	0.000
198	A	1201	THR	0	-0.011	-0.023	17.536	0.028	0.028	0.000	0.000	0.000	0.000
199	A	1202	SER	0	-0.090	-0.046	19.867	0.027	0.027	0.000	0.000	0.000	0.000
200	A	1203	LEU	0	0.023	0.007	21.570	0.018	0.018	0.000	0.000	0.000	0.000
201	A	1204	GLN	0	-0.086	-0.031	23.345	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	1205	ALA	0	0.037	0.016	25.268	0.014	0.014	0.000	0.000	0.000	0.000
203	A	1206	ASP	-1	-0.851	-0.943	27.595	-0.139	-0.139	0.000	0.000	0.000	0.000
204	A	1207	LEU	0	-0.049	-0.033	27.632	0.011	0.011	0.000	0.000	0.000	0.000
205	A	1208	GLU	-1	-0.961	-0.987	27.549	-0.185	-0.185	0.000	0.000	0.000	0.000
206	A	1209	ASN	0	-0.055	-0.031	30.767	0.009	0.009	0.000	0.000	0.000	0.000
207	A	1210	GLY	0	-0.020	0.002	33.268	0.008	0.008	0.000	0.000	0.000	0.000
208	A	1211	VAL	0	-0.041	0.015	32.112	0.009	0.009	0.000	0.000	0.000	0.000
209	A	1212	ASN	0	-0.006	-0.015	32.950	0.001	0.001	0.000	0.000	0.000	0.000
210	A	1213	LEU	0	0.048	0.023	33.345	-0.003	-0.003	0.000	0.000	0.000	0.000
211	A	1214	GLU	-1	-0.904	-0.965	32.982	-0.076	-0.076	0.000	0.000	0.000	0.000
212	A	1215	GLN	0	0.007	0.000	32.786	-0.004	-0.004	0.000	0.000	0.000	0.000
213	A	1216	THR	0	0.027	0.018	28.052	-0.004	-0.004	0.000	0.000	0.000	0.000
214	A	1217	ILE	0	-0.020	-0.013	28.447	-0.010	-0.010	0.000	0.000	0.000	0.000
215	A	1218	ARG	1	0.953	0.994	28.992	0.071	0.071	0.000	0.000	0.000	0.000
216	A	1219	LEU	0	0.006	0.002	24.953	0.000	0.000	0.000	0.000	0.000	0.000
217	A	1220	ARG	1	0.943	0.984	22.986	0.203	0.203	0.000	0.000	0.000	0.000
218	A	1221	GLU	-1	-0.947	-0.967	24.293	-0.096	-0.096	0.000	0.000	0.000	0.000
219	A	1222	GLU	-1	-0.790	-0.891	25.457	-0.077	-0.077	0.000	0.000	0.000	0.000
220	A	1223	ILE	0	0.011	-0.004	19.869	0.003	0.003	0.000	0.000	0.000	0.000
221	A	1224	ALA	0	-0.030	-0.001	20.765	-0.012	-0.012	0.000	0.000	0.000	0.000
222	A	1225	GLU	-1	-0.835	-0.922	21.234	-0.070	-0.070	0.000	0.000	0.000	0.000
223	A	1226	GLN	0	-0.005	0.016	20.329	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	1227	HIS	0	-0.012	-0.005	13.945	0.068	0.068	0.000	0.000	0.000	0.000
225	A	1228	ARG	1	0.912	0.937	17.801	0.113	0.113	0.000	0.000	0.000	0.000
226	A	1229	ALA	0	-0.012	-0.006	19.702	0.028	0.028	0.000	0.000	0.000	0.000
227	A	1230	LEU	0	0.004	-0.009	15.124	0.037	0.037	0.000	0.000	0.000	0.000
228	A	1231	GLY	0	0.013	0.001	15.753	0.048	0.048	0.000	0.000	0.000	0.000
229	A	1232	GLN	0	-0.018	-0.020	16.801	0.053	0.053	0.000	0.000	0.000	0.000
230	A	1233	MET	0	0.018	0.012	17.383	0.039	0.039	0.000	0.000	0.000	0.000
231	A	1234	LYS	1	0.883	0.964	11.037	-0.022	-0.022	0.000	0.000	0.000	0.000
232	A	1235	GLU	-1	-0.937	-0.957	16.313	0.128	0.128	0.000	0.000	0.000	0.000
233	A	1236	MET	0	-0.020	-0.001	19.045	0.008	0.008	0.000	0.000	0.000	0.000
234	A	1237	ALA	0	-0.006	-0.005	17.433	0.009	0.009	0.000	0.000	0.000	0.000
235	A	1238	ALA	0	0.046	0.019	17.498	0.029	0.029	0.000	0.000	0.000	0.000
236	A	1239	LYS	1	0.840	0.933	18.901	-0.143	-0.143	0.000	0.000	0.000	0.000
237	A	1240	TYR	0	-0.068	-0.011	21.631	-0.025	-0.025	0.000	0.000	0.000	0.000
238	A	1241	GLY	0	-0.033	-0.016	20.315	0.018	0.018	0.000	0.000	0.000	0.000
239	A	1242	TYR	0	-0.011	-0.008	16.423	0.083	0.083	0.000	0.000	0.000	0.000
240	A	1243	ASP	-1	-0.836	-0.893	11.092	1.124	1.124	0.000	0.000	0.000	0.000
241	A	1244	ILE	0	-0.006	0.001	12.287	0.181	0.181	0.000	0.000	0.000	0.000
242	A	1245	SER	0	-0.055	-0.048	8.646	0.071	0.071	0.000	0.000	0.000	0.000
243	A	1246	GLY	0	-0.048	-0.027	7.161	-0.041	-0.041	0.000	0.000	0.000	0.000
244	A	1247	PRO	0	-0.015	-0.004	6.059	-0.278	-0.278	0.000	0.000	0.000	0.000
245	A	1248	ALA	0	0.003	0.020	8.906	0.305	0.305	0.000	0.000	0.000	0.000
246	A	1249	THR	0	0.011	0.003	10.815	0.057	0.057	0.000	0.000	0.000	0.000
247	A	1250	ASN	0	-0.058	-0.019	12.273	-0.228	-0.228	0.000	0.000	0.000	0.000
248	A	1251	ALA	0	0.046	0.002	16.025	-0.005	-0.005	0.000	0.000	0.000	0.000
249	A	1252	GLN	0	0.021	0.006	18.760	-0.038	-0.038	0.000	0.000	0.000	0.000
250	A	1253	GLU	-1	-0.862	-0.929	13.144	1.239	1.239	0.000	0.000	0.000	0.000
251	A	1254	ALA	0	0.026	0.024	15.735	-0.040	-0.040	0.000	0.000	0.000	0.000
252	A	1255	ILE	0	0.004	-0.009	16.614	-0.050	-0.050	0.000	0.000	0.000	0.000
253	A	1256	GLN	0	0.027	0.012	18.543	-0.043	-0.043	0.000	0.000	0.000	0.000
254	A	1257	TRP	0	-0.035	-0.022	11.789	-0.128	-0.128	0.000	0.000	0.000	0.000
255	A	1258	THR	0	-0.009	-0.008	17.208	-0.061	-0.061	0.000	0.000	0.000	0.000
256	A	1259	TYR	0	-0.029	-0.024	19.210	-0.047	-0.047	0.000	0.000	0.000	0.000
257	A	1260	PHE	0	0.029	0.016	18.164	-0.031	-0.031	0.000	0.000	0.000	0.000
258	A	1261	GLY	0	0.015	0.003	19.729	-0.032	-0.032	0.000	0.000	0.000	0.000
259	A	1262	TYR	0	0.006	0.003	20.442	-0.032	-0.032	0.000	0.000	0.000	0.000
260	A	1263	LEU	0	-0.048	-0.021	23.752	-0.018	-0.018	0.000	0.000	0.000	0.000
261	A	1264	ALA	0	0.028	-0.003	22.214	-0.015	-0.015	0.000	0.000	0.000	0.000
262	A	1265	ALA	0	-0.014	0.004	24.330	-0.020	-0.020	0.000	0.000	0.000	0.000
263	A	1266	VAL	0	-0.006	0.000	26.419	-0.012	-0.012	0.000	0.000	0.000	0.000
264	A	1267	LYS	1	0.846	0.936	25.779	-0.145	-0.145	0.000	0.000	0.000	0.000
265	A	1268	SER	0	-0.075	-0.043	27.016	-0.012	-0.012	0.000	0.000	0.000	0.000
266	A	1269	GLN	0	0.003	0.003	29.240	-0.012	-0.012	0.000	0.000	0.000	0.000
267	A	1270	ASN	0	0.085	0.030	31.676	0.004	0.004	0.000	0.000	0.000	0.000
268	A	1271	GLY	0	-0.014	-0.027	33.642	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	1272	ALA	0	0.028	0.015	34.781	0.005	0.005	0.000	0.000	0.000	0.000
270	A	1273	ALA	0	0.000	0.001	34.726	0.005	0.005	0.000	0.000	0.000	0.000
271	A	1274	MET	0	-0.047	0.004	29.469	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	1275	SER	0	-0.054	-0.067	29.801	0.010	0.010	0.000	0.000	0.000	0.000
273	A	1276	PHE	0	-0.006	0.000	23.988	0.004	0.004	0.000	0.000	0.000	0.000
274	A	1277	GLY	0	0.017	0.000	25.358	0.004	0.004	0.000	0.000	0.000	0.000
275	A	1278	ARG	1	0.856	0.952	25.190	-0.020	-0.020	0.000	0.000	0.000	0.000
276	A	1279	THR	0	-0.012	-0.020	21.980	0.004	0.004	0.000	0.000	0.000	0.000
277	A	1280	SER	0	-0.006	-0.003	23.282	0.010	0.010	0.000	0.000	0.000	0.000
278	A	1281	THR	0	-0.013	-0.025	23.681	0.018	0.018	0.000	0.000	0.000	0.000
279	A	1282	PHE	0	0.003	0.013	15.657	0.004	0.004	0.000	0.000	0.000	0.000
280	A	1283	LEU	0	0.033	-0.008	19.398	0.016	0.016	0.000	0.000	0.000	0.000
281	A	1284	ASP	-1	-0.791	-0.918	20.867	0.154	0.154	0.000	0.000	0.000	0.000
282	A	1285	VAL	0	0.016	0.036	17.348	0.001	0.001	0.000	0.000	0.000	0.000
283	A	1286	TYR	0	-0.011	-0.017	13.172	0.026	0.026	0.000	0.000	0.000	0.000
284	A	1287	ILE	0	-0.004	-0.006	18.434	0.029	0.029	0.000	0.000	0.000	0.000
285	A	1288	GLU	-1	-0.855	-0.898	21.877	0.130	0.130	0.000	0.000	0.000	0.000
286	A	1289	ARG	1	0.802	0.896	12.059	-0.436	-0.436	0.000	0.000	0.000	0.000
287	A	1290	ASP	-1	-0.754	-0.880	18.275	0.487	0.487	0.000	0.000	0.000	0.000
288	A	1291	LEU	0	-0.003	0.028	20.835	-0.003	-0.003	0.000	0.000	0.000	0.000
289	A	1292	LYS	1	0.789	0.879	22.599	-0.108	-0.108	0.000	0.000	0.000	0.000
290	A	1293	ALA	0	-0.001	-0.015	20.671	-0.010	-0.010	0.000	0.000	0.000	0.000
291	A	1294	GLY	0	-0.056	-0.032	22.706	0.017	0.017	0.000	0.000	0.000	0.000
292	A	1295	LYS	1	0.784	0.895	16.551	-0.544	-0.544	0.000	0.000	0.000	0.000
293	A	1296	ILE	0	0.000	0.008	22.745	0.014	0.014	0.000	0.000	0.000	0.000
294	A	1297	THR	0	0.028	0.012	24.818	-0.032	-0.032	0.000	0.000	0.000	0.000
295	A	1298	GLU	-1	-0.805	-0.924	28.204	0.160	0.160	0.000	0.000	0.000	0.000
296	A	1299	GLN	0	0.036	0.002	29.785	0.005	0.005	0.000	0.000	0.000	0.000
297	A	1300	GLU	-1	-0.866	-0.931	26.860	0.280	0.280	0.000	0.000	0.000	0.000
298	A	1301	ALA	0	-0.040	-0.022	25.906	0.014	0.014	0.000	0.000	0.000	0.000
299	A	1302	GLN	0	0.001	0.000	26.897	-0.003	-0.003	0.000	0.000	0.000	0.000
300	A	1303	GLU	-1	-0.803	-0.873	29.102	0.225	0.225	0.000	0.000	0.000	0.000
301	A	1304	MET	0	-0.041	-0.018	22.516	0.016	0.016	0.000	0.000	0.000	0.000
302	A	1305	VAL	0	0.008	0.008	26.361	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	1306	ASP	-1	-0.770	-0.872	27.855	0.136	0.136	0.000	0.000	0.000	0.000
304	A	1307	HIS	0	0.020	-0.010	28.000	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	1308	LEU	0	-0.057	-0.019	24.599	-0.004	-0.004	0.000	0.000	0.000	0.000
306	A	1309	VAL	0	0.040	-0.008	27.515	-0.010	-0.010	0.000	0.000	0.000	0.000
307	A	1310	MET	0	0.008	0.022	30.413	-0.013	-0.013	0.000	0.000	0.000	0.000
308	A	1311	LYS	1	0.830	0.908	27.796	-0.211	-0.211	0.000	0.000	0.000	0.000
309	A	1312	LEU	0	-0.020	-0.001	27.477	-0.012	-0.012	0.000	0.000	0.000	0.000
310	A	1313	ARG	1	0.827	0.922	31.031	-0.112	-0.112	0.000	0.000	0.000	0.000
311	A	1314	MET	0	-0.109	-0.045	32.264	-0.006	-0.006	0.000	0.000	0.000	0.000
312	A	1315	VAL	0	-0.008	0.020	31.704	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	1316	ARG	1	0.823	0.903	33.693	-0.088	-0.088	0.000	0.000	0.000	0.000
314	A	1317	PHE	0	0.034	0.001	32.483	0.001	0.001	0.000	0.000	0.000	0.000
315	A	1318	LEU	0	-0.015	0.003	37.967	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	1319	ARG	1	0.911	0.968	37.647	-0.041	-0.041	0.000	0.000	0.000	0.000
317	A	1320	THR	0	0.002	0.009	43.508	0.001	0.001	0.000	0.000	0.000	0.000
318	A	1321	PRO	0	0.074	0.026	47.268	0.000	0.000	0.000	0.000	0.000	0.000
319	A	1322	GLU	-1	-0.944	-0.966	49.165	0.020	0.020	0.000	0.000	0.000	0.000
320	A	1323	TYR	0	-0.050	-0.047	44.814	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	1324	ASP	-1	-0.909	-0.939	44.275	0.049	0.049	0.000	0.000	0.000	0.000
322	A	1325	GLU	-1	-0.974	-1.004	42.104	0.054	0.054	0.000	0.000	0.000	0.000
323	A	1326	LEU	0	-0.022	0.002	44.602	-0.002	-0.002	0.000	0.000	0.000	0.000
324	A	1327	PHE	0	-0.035	-0.015	48.210	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	1328	SER	0	-0.016	-0.021	47.963	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	1329	GLY	0	-0.040	-0.023	45.410	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	1330	ASP	-1	-0.892	-0.924	41.084	0.025	0.025	0.000	0.000	0.000	0.000
328	A	1331	PRO	0	-0.002	0.002	40.052	0.002	0.002	0.000	0.000	0.000	0.000
329	A	1332	ILE	0	-0.072	-0.018	34.292	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	1333	TRP	0	0.069	0.017	35.233	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	1334	ALA	0	0.035	0.037	30.827	-0.003	-0.003	0.000	0.000	0.000	0.000
332	A	1335	THR	0	-0.043	-0.026	31.986	0.002	0.002	0.000	0.000	0.000	0.000
333	A	1336	GLU	-1	-0.773	-0.865	27.164	0.099	0.099	0.000	0.000	0.000	0.000
334	A	1337	SER	0	-0.050	-0.024	29.253	-0.008	-0.008	0.000	0.000	0.000	0.000
335	A	1338	ILE	0	0.035	-0.001	29.172	0.004	0.004	0.000	0.000	0.000	0.000
336	A	1339	GLY	0	0.004	0.000	29.964	-0.007	-0.007	0.000	0.000	0.000	0.000
337	A	1340	GLY	0	0.080	0.045	30.242	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	1341	MET	0	-0.115	-0.042	31.853	0.006	0.006	0.000	0.000	0.000	0.000
339	A	1342	GLY	0	0.066	0.023	28.687	-0.002	-0.002	0.000	0.000	0.000	0.000
340	A	1343	LEU	0	-0.036	-0.044	28.086	0.000	0.000	0.000	0.000	0.000	0.000
341	A	1344	ASP	-1	-0.858	-0.909	27.264	-0.029	-0.029	0.000	0.000	0.000	0.000
342	A	1345	GLY	0	-0.029	-0.006	30.266	0.000	0.000	0.000	0.000	0.000	0.000
343	A	1346	ARG	1	0.790	0.898	23.860	0.026	0.026	0.000	0.000	0.000	0.000
344	A	1347	THR	0	0.039	0.016	30.801	0.002	0.002	0.000	0.000	0.000	0.000
345	A	1348	LEU	0	0.020	0.033	26.023	0.000	0.000	0.000	0.000	0.000	0.000
346	A	1349	VAL	0	-0.013	0.016	28.436	0.010	0.010	0.000	0.000	0.000	0.000
347	A	1350	THR	0	0.023	-0.004	25.579	0.003	0.003	0.000	0.000	0.000	0.000
348	A	1351	LYS	1	0.968	0.986	27.998	-0.117	-0.117	0.000	0.000	0.000	0.000
349	A	1352	ASN	0	-0.003	-0.028	24.896	0.008	0.008	0.000	0.000	0.000	0.000
350	A	1353	SER	0	0.002	0.023	27.984	0.000	0.000	0.000	0.000	0.000	0.000
351	A	1354	PHE	0	0.017	0.010	30.519	-0.002	-0.002	0.000	0.000	0.000	0.000
352	A	1355	ARG	1	0.854	0.937	26.620	-0.157	-0.157	0.000	0.000	0.000	0.000
353	A	1356	PHE	0	0.019	-0.008	25.993	0.003	0.003	0.000	0.000	0.000	0.000
354	A	1357	LEU	0	-0.025	-0.004	31.476	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	1358	ASN	0	0.034	0.011	34.049	-0.012	-0.012	0.000	0.000	0.000	0.000
356	A	1359	THR	0	-0.043	-0.004	31.874	-0.002	-0.002	0.000	0.000	0.000	0.000
357	A	1360	LEU	0	-0.051	-0.022	35.136	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	1361	TYR	0	-0.108	-0.063	38.209	-0.006	-0.006	0.000	0.000	0.000	0.000
359	A	1362	THR	0	-0.118	-0.097	34.871	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	1363	MET	0	-0.008	-0.001	34.542	0.003	0.003	0.000	0.000	0.000	0.000
361	A	1364	GLY	0	-0.013	0.010	38.421	-0.004	-0.004	0.000	0.000	0.000	0.000
362	A	1365	PRO	0	0.015	0.013	39.707	0.004	0.004	0.000	0.000	0.000	0.000
363	A	1366	SER	0	0.002	-0.023	38.054	0.001	0.001	0.000	0.000	0.000	0.000
364	A	1367	PRO	0	0.002	-0.009	39.006	0.001	0.001	0.000	0.000	0.000	0.000
365	A	1368	GLU	-1	-0.796	-0.929	35.379	0.068	0.068	0.000	0.000	0.000	0.000
366	A	1369	PRO	0	-0.006	0.043	32.474	0.000	0.000	0.000	0.000	0.000	0.000
367	A	1370	ASN	0	0.053	-0.008	34.180	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	1371	MET	0	-0.032	-0.011	32.528	0.001	0.001	0.000	0.000	0.000	0.000
369	A	1372	THR	0	-0.023	-0.010	34.219	-0.006	-0.006	0.000	0.000	0.000	0.000
370	A	1373	ILE	0	-0.032	-0.046	34.038	0.003	0.003	0.000	0.000	0.000	0.000
371	A	1374	LEU	0	0.001	-0.002	30.776	-0.005	-0.005	0.000	0.000	0.000	0.000
372	A	1375	TRP	0	0.018	-0.010	34.886	0.001	0.001	0.000	0.000	0.000	0.000
373	A	1376	SER	0	0.007	-0.027	36.786	-0.004	-0.004	0.000	0.000	0.000	0.000
374	A	1377	GLU	-1	-0.934	-0.987	38.662	0.015	0.015	0.000	0.000	0.000	0.000
375	A	1378	LYS	1	0.877	0.928	37.618	0.004	0.004	0.000	0.000	0.000	0.000
376	A	1379	LEU	0	0.037	0.046	34.877	0.001	0.001	0.000	0.000	0.000	0.000
377	A	1380	PRO	0	0.034	0.023	34.534	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	1381	LEU	0	0.008	-0.003	37.808	0.003	0.003	0.000	0.000	0.000	0.000
379	A	1382	ASN	0	0.024	0.017	38.404	-0.003	-0.003	0.000	0.000	0.000	0.000
380	A	1383	PHE	0	0.066	0.032	34.589	0.003	0.003	0.000	0.000	0.000	0.000
381	A	1384	LYS	1	0.847	0.935	37.975	-0.019	-0.019	0.000	0.000	0.000	0.000
382	A	1385	LYS	1	0.911	0.944	40.764	-0.034	-0.034	0.000	0.000	0.000	0.000
383	A	1386	PHE	0	0.067	0.039	36.837	0.001	0.001	0.000	0.000	0.000	0.000
384	A	1387	ALA	0	0.049	0.042	38.907	0.002	0.002	0.000	0.000	0.000	0.000
385	A	1388	ALA	0	0.017	0.002	40.336	0.000	0.000	0.000	0.000	0.000	0.000
386	A	1389	LYS	1	0.845	0.917	43.093	-0.061	-0.061	0.000	0.000	0.000	0.000
387	A	1390	VAL	0	0.061	0.019	39.124	0.000	0.000	0.000	0.000	0.000	0.000
388	A	1391	SER	0	-0.034	0.008	42.197	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1392	ILE	0	-0.031	0.002	43.893	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	1393	ASP	-1	-0.838	-0.903	44.583	0.055	0.055	0.000	0.000	0.000	0.000
391	A	1394	THR	0	-0.080	-0.059	41.592	0.002	0.002	0.000	0.000	0.000	0.000
392	A	1395	SER	0	-0.031	-0.011	44.362	-0.001	-0.001	0.000	0.000	0.000	0.000
393	A	1396	SER	0	-0.045	-0.041	40.262	0.000	0.000	0.000	0.000	0.000	0.000
394	A	1397	LEU	0	-0.073	-0.011	37.210	0.002	0.002	0.000	0.000	0.000	0.000
395	A	1398	GLN	0	0.036	0.042	38.076	-0.006	-0.006	0.000	0.000	0.000	0.000
396	A	1399	TYR	0	-0.067	-0.052	38.394	0.003	0.003	0.000	0.000	0.000	0.000
397	A	1400	GLU	-1	-0.861	-0.923	36.992	0.015	0.015	0.000	0.000	0.000	0.000
398	A	1401	ASN	0	0.005	-0.005	38.463	0.000	0.000	0.000	0.000	0.000	0.000
399	A	1402	ASP	-1	-0.686	-0.864	33.923	0.002	0.002	0.000	0.000	0.000	0.000
400	A	1403	ASP	-1	-0.833	-0.889	36.453	-0.002	-0.002	0.000	0.000	0.000	0.000
401	A	1404	LEU	0	-0.062	-0.012	38.851	-0.003	-0.003	0.000	0.000	0.000	0.000
402	A	1405	MET	0	0.042	0.018	35.056	-0.003	-0.003	0.000	0.000	0.000	0.000
403	A	1406	ARG	1	0.852	0.949	32.094	0.000	0.000	0.000	0.000	0.000	0.000
404	A	1407	PRO	0	-0.101	-0.053	33.833	-0.006	-0.006	0.000	0.000	0.000	0.000
405	A	1408	ASP	-1	-0.955	-0.953	36.208	-0.026	-0.026	0.000	0.000	0.000	0.000
406	A	1409	PHE	0	-0.006	-0.017	31.660	-0.003	-0.003	0.000	0.000	0.000	0.000
407	A	1410	ASN	0	-0.048	-0.019	31.284	-0.004	-0.004	0.000	0.000	0.000	0.000
408	A	1411	ASN	0	-0.003	-0.008	25.872	0.001	0.001	0.000	0.000	0.000	0.000
409	A	1412	ASP	-1	-0.799	-0.881	26.206	-0.023	-0.023	0.000	0.000	0.000	0.000
410	A	1413	ASP	-1	-0.873	-0.940	22.809	0.013	0.013	0.000	0.000	0.000	0.000
411	A	1414	TYR	0	-0.053	-0.018	25.981	0.001	0.001	0.000	0.000	0.000	0.000
412	A	1415	ALA	0	0.016	0.000	27.575	0.009	0.009	0.000	0.000	0.000	0.000
413	A	1416	ILE	0	0.046	0.020	29.554	-0.008	-0.008	0.000	0.000	0.000	0.000
414	A	1417	ALA	0	0.039	0.050	32.061	0.006	0.006	0.000	0.000	0.000	0.000
415	A	1418	CYS	0	-0.017	-0.008	34.005	-0.004	-0.004	0.000	0.000	0.000	0.000
416	A	1419	CYS	0	-0.042	-0.022	37.466	-0.002	-0.002	0.000	0.000	0.000	0.000
417	A	1420	VAL	0	-0.031	-0.007	35.734	-0.003	-0.003	0.000	0.000	0.000	0.000
418	A	1421	SER	0	0.024	0.017	36.669	0.003	0.003	0.000	0.000	0.000	0.000
419	A	1422	PRO	0	0.036	0.031	33.484	0.001	0.001	0.000	0.000	0.000	0.000
420	A	1423	MET	0	-0.040	-0.013	29.605	-0.004	-0.004	0.000	0.000	0.000	0.000
421	A	1424	ILE	0	0.007	0.016	25.540	0.007	0.007	0.000	0.000	0.000	0.000
422	A	1425	VAL	0	0.037	0.009	22.346	-0.005	-0.005	0.000	0.000	0.000	0.000
423	A	1426	GLY	0	0.002	0.011	22.148	-0.008	-0.008	0.000	0.000	0.000	0.000
424	A	1427	LYS	1	0.866	0.920	20.887	0.088	0.088	0.000	0.000	0.000	0.000
425	A	1428	GLN	0	0.018	0.006	25.379	-0.008	-0.008	0.000	0.000	0.000	0.000
426	A	1429	MET	0	0.019	0.013	28.304	0.006	0.006	0.000	0.000	0.000	0.000
427	A	1430	GLN	0	0.022	-0.014	30.234	-0.007	-0.007	0.000	0.000	0.000	0.000
428	A	1431	PHE	0	-0.033	-0.027	33.572	0.003	0.003	0.000	0.000	0.000	0.000
429	A	1432	PHE	0	0.017	-0.001	36.287	0.000	0.000	0.000	0.000	0.000	0.000
430	A	1433	GLY	0	0.049	0.019	38.412	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	1434	ALA	0	-0.022	-0.006	42.003	0.002	0.002	0.000	0.000	0.000	0.000
432	A	1435	ARG	1	0.899	0.951	44.530	-0.008	-0.008	0.000	0.000	0.000	0.000
433	A	1436	ALA	0	0.033	0.027	47.667	0.000	0.000	0.000	0.000	0.000	0.000
434	A	1437	ASN	0	0.022	-0.020	50.805	0.000	0.000	0.000	0.000	0.000	0.000
435	A	1438	LEU	0	0.080	0.047	53.086	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	1439	ALA	0	0.014	0.024	55.835	0.000	0.000	0.000	0.000	0.000	0.000
437	A	1440	LYS	1	0.878	0.945	56.436	-0.003	-0.003	0.000	0.000	0.000	0.000
438	A	1441	THR	0	-0.014	-0.034	56.485	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	1442	MET	0	0.025	0.022	59.056	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	1443	LEU	0	0.004	0.007	61.676	0.000	0.000	0.000	0.000	0.000	0.000
441	A	1444	TYR	0	-0.053	-0.074	59.212	0.000	0.000	0.000	0.000	0.000	0.000
442	A	1445	ALA	0	-0.034	0.000	62.685	0.000	0.000	0.000	0.000	0.000	0.000
443	A	1446	ILE	0	-0.022	-0.004	64.463	0.000	0.000	0.000	0.000	0.000	0.000
444	A	1447	ASN	0	0.058	0.045	66.846	0.000	0.000	0.000	0.000	0.000	0.000
445	A	1448	GLY	0	0.110	0.060	68.219	0.000	0.000	0.000	0.000	0.000	0.000
446	A	1449	GLY	0	-0.037	-0.032	63.984	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	1450	VAL	0	-0.014	-0.015	64.040	0.000	0.000	0.000	0.000	0.000	0.000
448	A	1451	ASP	-1	-0.816	-0.852	61.836	0.002	0.002	0.000	0.000	0.000	0.000
449	A	1452	GLU	-1	-0.723	-0.879	64.551	0.002	0.002	0.000	0.000	0.000	0.000
450	A	1453	LYS	1	0.787	0.882	63.115	-0.003	-0.003	0.000	0.000	0.000	0.000
451	A	1454	LEU	0	-0.106	-0.060	60.569	0.001	0.001	0.000	0.000	0.000	0.000
452	A	1455	LYS	1	0.944	0.984	64.993	-0.003	-0.003	0.000	0.000	0.000	0.000
453	A	1456	MET	0	-0.032	-0.015	60.436	0.000	0.000	0.000	0.000	0.000	0.000
454	A	1457	GLN	0	0.009	0.030	64.540	0.001	0.001	0.000	0.000	0.000	0.000
455	A	1458	VAL	0	-0.063	-0.034	59.602	0.000	0.000	0.000	0.000	0.000	0.000
456	A	1459	GLY	0	0.028	0.004	60.480	-0.001	-0.001	0.000	0.000	0.000	0.000
457	A	1460	PRO	0	-0.046	-0.024	60.844	0.000	0.000	0.000	0.000	0.000	0.000
458	A	1461	LYS	1	0.866	0.910	63.677	0.007	0.007	0.000	0.000	0.000	0.000
459	A	1462	SER	0	-0.030	-0.014	67.038	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	1463	GLU	-1	-0.885	-0.952	69.313	-0.006	-0.006	0.000	0.000	0.000	0.000
461	A	1464	PRO	0	0.010	0.015	70.838	0.000	0.000	0.000	0.000	0.000	0.000
462	A	1465	ILE	0	0.595	-0.244	68.864	-0.001	-0.001	0.000	0.000	0.000	0.000
463	A	1466	LYN	0	-0.593	-0.197	72.620	0.001	0.001	0.000	0.000	0.000	0.000
464	A	1467	GLY	0	0.019	0.009	76.182	0.000	0.000	0.000	0.000	0.000	0.000
465	A	1468	ASP	-1	-0.945	-0.969	77.399	-0.002	-0.002	0.000	0.000	0.000	0.000
466	A	1469	VAL	0	-0.027	-0.020	75.897	0.001	0.001	0.000	0.000	0.000	0.000
467	A	1470	LEU	0	-0.005	0.008	69.596	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	1471	ASN	0	0.051	0.017	72.388	0.000	0.000	0.000	0.000	0.000	0.000
469	A	1472	TYR	0	0.019	-0.010	63.545	0.000	0.000	0.000	0.000	0.000	0.000
470	A	1473	ASP	-1	-0.910	-0.969	67.436	-0.009	-0.009	0.000	0.000	0.000	0.000
471	A	1474	GLU	-1	-0.823	-0.895	68.005	-0.007	-0.007	0.000	0.000	0.000	0.000
472	A	1475	VAL	0	-0.027	-0.021	65.277	0.000	0.000	0.000	0.000	0.000	0.000
473	A	1476	MET	0	0.020	-0.003	60.826	0.000	0.000	0.000	0.000	0.000	0.000
474	A	1477	GLU	-1	-0.950	-0.963	63.294	-0.012	-0.012	0.000	0.000	0.000	0.000
475	A	1478	ARG	0	-0.035	0.436	64.457	0.000	0.000	0.000	0.000	0.000	0.000
476	A	1479	MET	0	-0.012	-0.003	59.989	0.000	0.000	0.000	0.000	0.000	0.000
477	A	1480	ASP	-1	-0.918	-0.962	59.375	-0.016	-0.016	0.000	0.000	0.000	0.000
478	A	1481	HIS	0	0.026	0.010	59.374	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	1482	PHE	0	0.008	-0.003	59.202	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	1483	MET	0	-0.043	-0.021	54.798	0.000	0.000	0.000	0.000	0.000	0.000
481	A	1484	ASP	-1	-0.882	-0.931	55.096	-0.019	-0.019	0.000	0.000	0.000	0.000
482	A	1485	TRP	0	-0.041	-0.018	55.123	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	1486	LEU	0	0.007	-0.008	53.145	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	1487	ALA	0	0.017	0.020	51.220	0.000	0.000	0.000	0.000	0.000	0.000
485	A	1488	LYS	1	0.969	0.986	50.241	0.023	0.023	0.000	0.000	0.000	0.000
486	A	1489	GLN	0	0.021	0.016	50.592	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	1490	TYR	0	0.016	0.007	45.611	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	1491	ILE	0	0.042	0.018	44.550	0.000	0.000	0.000	0.000	0.000	0.000
489	A	1492	THR	0	-0.051	-0.030	45.630	-0.003	-0.003	0.000	0.000	0.000	0.000
490	A	1493	ALA	0	0.008	-0.005	46.388	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	1494	LEU	0	-0.013	0.006	42.377	0.000	0.000	0.000	0.000	0.000	0.000
492	A	1495	ASN	0	-0.003	0.002	41.729	-0.003	-0.003	0.000	0.000	0.000	0.000
493	A	1496	ILE	0	-0.013	-0.003	41.524	-0.002	-0.002	0.000	0.000	0.000	0.000
494	A	1497	ILE	0	0.009	0.002	40.140	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	1498	HIS	0	0.026	-0.009	37.047	0.000	0.000	0.000	0.000	0.000	0.000
496	A	1499	TYR	0	0.003	0.019	36.687	-0.003	-0.003	0.000	0.000	0.000	0.000
497	A	1500	MET	0	-0.048	-0.018	37.074	-0.003	-0.003	0.000	0.000	0.000	0.000
498	A	1501	HIS	0	0.033	0.015	33.810	0.004	0.004	0.000	0.000	0.000	0.000
499	A	1502	ASP	-1	-0.785	-0.864	32.879	-0.042	-0.042	0.000	0.000	0.000	0.000
500	A	1503	LYS	1	0.915	0.981	32.382	0.035	0.035	0.000	0.000	0.000	0.000
501	A	1504	TYR	0	-0.048	-0.060	33.755	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	1505	SER	0	0.004	-0.016	32.898	0.007	0.007	0.000	0.000	0.000	0.000
503	A	1506	TYR	0	0.077	0.063	25.397	0.002	0.002	0.000	0.000	0.000	0.000
504	A	1507	GLU	-1	-0.770	-0.856	28.245	-0.010	-0.010	0.000	0.000	0.000	0.000
505	A	1508	ALA	0	0.004	-0.008	23.998	0.000	0.000	0.000	0.000	0.000	0.000
506	A	1509	SER	0	-0.005	-0.010	22.308	-0.010	-0.010	0.000	0.000	0.000	0.000
507	A	1510	LEU	0	0.027	0.015	22.108	0.009	0.009	0.000	0.000	0.000	0.000
508	A	1511	MET	0	-0.018	-0.001	23.046	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	1512	ALA	0	-0.043	-0.015	19.086	-0.019	-0.019	0.000	0.000	0.000	0.000
510	A	1513	LEU	0	-0.088	-0.046	17.558	-0.011	-0.011	0.000	0.000	0.000	0.000
511	A	1514	HIS	0	-0.006	0.000	19.847	0.016	0.016	0.000	0.000	0.000	0.000
512	A	1515	ASP	-1	-0.827	-0.906	19.995	-0.133	-0.133	0.000	0.000	0.000	0.000
513	A	1516	ARG	1	0.808	0.877	20.711	0.189	0.189	0.000	0.000	0.000	0.000
514	A	1517	ASP	-1	-0.862	-0.911	22.131	-0.134	-0.134	0.000	0.000	0.000	0.000
515	A	1518	VAL	0	-0.037	-0.003	24.952	0.004	0.004	0.000	0.000	0.000	0.000
516	A	1519	ILE	0	0.035	0.008	27.106	0.001	0.001	0.000	0.000	0.000	0.000
517	A	1520	ARG	1	0.927	0.972	28.889	0.069	0.069	0.000	0.000	0.000	0.000
518	A	1521	THR	0	0.002	-0.002	33.040	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	1522	MET	0	0.005	-0.002	36.347	0.003	0.003	0.000	0.000	0.000	0.000
520	A	1523	ALA	0	0.049	0.026	38.017	0.001	0.001	0.000	0.000	0.000	0.000
521	A	1524	CYS	0	-0.054	-0.020	39.778	0.002	0.002	0.000	0.000	0.000	0.000
522	A	1525	GLY	0	0.066	0.033	43.564	0.001	0.001	0.000	0.000	0.000	0.000
523	A	1526	ILE	0	-0.030	-0.008	45.654	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	1527	ALA	0	-0.025	-0.027	49.299	0.002	0.002	0.000	0.000	0.000	0.000
525	A	1528	GLY	0	0.031	0.010	51.573	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	1529	LEU	0	0.030	0.019	51.557	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	1530	SER	0	0.074	0.033	54.611	0.000	0.000	0.000	0.000	0.000	0.000
528	A	1531	VAL	0	0.017	0.014	56.538	0.000	0.000	0.000	0.000	0.000	0.000
529	A	1532	ALA	0	0.007	0.003	57.628	0.000	0.000	0.000	0.000	0.000	0.000
530	A	1533	ALA	0	-0.002	-0.001	57.738	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	1534	ASP	-1	-0.790	-0.894	59.729	0.003	0.003	0.000	0.000	0.000	0.000
532	A	1535	SER	0	-0.034	-0.024	62.400	0.000	0.000	0.000	0.000	0.000	0.000
533	A	1536	LEU	0	-0.005	-0.012	60.453	0.000	0.000	0.000	0.000	0.000	0.000
534	A	1537	SER	0	-0.007	-0.021	63.689	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	1538	ALA	0	0.004	-0.011	65.322	0.000	0.000	0.000	0.000	0.000	0.000
536	A	1539	ILE	0	-0.036	0.002	66.629	0.000	0.000	0.000	0.000	0.000	0.000
537	A	1540	LYS	1	0.882	0.946	65.457	0.006	0.006	0.000	0.000	0.000	0.000
538	A	1541	TYR	0	-0.101	-0.056	65.420	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	1542	ALA	0	0.014	0.015	70.860	0.001	0.001	0.000	0.000	0.000	0.000
540	A	1543	LYS	1	0.926	0.973	73.202	0.002	0.002	0.000	0.000	0.000	0.000
541	A	1544	VAL	0	0.043	0.028	70.311	0.001	0.001	0.000	0.000	0.000	0.000
542	A	1545	LYS	1	0.966	0.981	73.612	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	1546	PRO	0	-0.039	-0.013	72.711	0.001	0.001	0.000	0.000	0.000	0.000
544	A	1547	ILE	0	0.002	0.011	74.178	0.000	0.000	0.000	0.000	0.000	0.000
545	A	1548	ARG	1	0.824	0.901	74.349	0.002	0.002	0.000	0.000	0.000	0.000
546	A	1549	ASP	-1	-0.793	-0.890	73.353	0.000	0.000	0.000	0.000	0.000	0.000
547	A	1550	GLU	-1	-0.976	-0.994	76.231	0.001	0.001	0.000	0.000	0.000	0.000
548	A	1551	ASP	-1	-0.975	-0.978	74.023	-0.002	-0.002	0.000	0.000	0.000	0.000
549	A	1552	GLY	0	-0.070	-0.042	75.107	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	1553	LEU	0	-0.053	-0.036	69.846	0.000	0.000	0.000	0.000	0.000	0.000
551	A	1554	ALA	0	-0.040	-0.039	69.846	0.001	0.001	0.000	0.000	0.000	0.000
552	A	1555	ILE	0	-0.037	-0.026	69.738	0.000	0.000	0.000	0.000	0.000	0.000
553	A	1556	ASP	-1	-0.891	-0.938	70.370	0.005	0.005	0.000	0.000	0.000	0.000
554	A	1557	PHE	0	-0.098	-0.065	67.937	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	1558	GLU	-1	-0.911	-0.938	72.378	0.003	0.003	0.000	0.000	0.000	0.000
556	A	1559	ILE	0	-0.018	-0.022	69.271	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	1560	GLU	-1	-0.985	-0.983	73.852	0.001	0.001	0.000	0.000	0.000	0.000
558	A	1561	GLY	0	0.000	-0.011	75.309	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	1562	GLU	-1	-0.971	-0.987	71.137	0.004	0.004	0.000	0.000	0.000	0.000
560	A	1563	TYR	0	-0.017	0.000	65.427	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	1564	PRO	0	-0.077	-0.007	64.503	0.001	0.001	0.000	0.000	0.000	0.000
562	A	1565	GLN	0	0.026	-0.005	62.702	0.000	0.000	0.000	0.000	0.000	0.000
563	A	1566	PHE	0	0.038	0.001	53.429	0.000	0.000	0.000	0.000	0.000	0.000
564	A	1567	GLY	0	-0.023	0.009	56.084	0.001	0.001	0.000	0.000	0.000	0.000
565	A	1568	ASN	0	-0.025	-0.024	57.161	0.000	0.000	0.000	0.000	0.000	0.000
566	A	1569	ASN	0	0.030	0.027	56.444	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	1570	ASP	-1	-0.835	-0.905	58.935	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	1571	PRO	0	0.037	0.011	59.498	0.000	0.000	0.000	0.000	0.000	0.000
569	A	1572	ARG	1	0.807	0.903	60.539	0.000	0.000	0.000	0.000	0.000	0.000
570	A	1573	VAL	0	0.002	-0.009	60.192	0.000	0.000	0.000	0.000	0.000	0.000
571	A	1574	ASP	-1	-0.838	-0.937	56.110	0.000	0.000	0.000	0.000	0.000	0.000
572	A	1575	ASP	-1	-0.909	-0.959	56.373	-0.008	-0.008	0.000	0.000	0.000	0.000
573	A	1576	LEU	0	-0.052	-0.015	57.719	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	1577	ALA	0	0.003	0.004	54.554	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	1578	VAL	0	0.024	0.002	52.335	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	1579	ASP	-1	-0.831	-0.915	53.588	-0.013	-0.013	0.000	0.000	0.000	0.000
577	A	1580	LEU	0	-0.016	-0.017	55.162	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	1581	VAL	0	-0.022	-0.017	48.973	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	1582	GLU	-1	-0.941	-0.972	50.557	-0.017	-0.017	0.000	0.000	0.000	0.000
580	A	1583	ARG	1	0.852	0.929	51.617	0.011	0.011	0.000	0.000	0.000	0.000
581	A	1584	PHE	0	-0.001	-0.017	49.399	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	1585	MET	0	-0.006	0.002	44.567	-0.001	-0.001	0.000	0.000	0.000	0.000
583	A	1586	LYS	1	0.977	1.003	48.409	0.023	0.023	0.000	0.000	0.000	0.000
584	A	1587	LYS	1	0.803	0.918	50.597	0.014	0.014	0.000	0.000	0.000	0.000
585	A	1588	ILE	0	0.004	-0.011	46.057	-0.002	-0.002	0.000	0.000	0.000	0.000
586	A	1589	GLN	0	-0.058	-0.031	43.977	-0.002	-0.002	0.000	0.000	0.000	0.000
587	A	1590	LYS	1	0.901	0.975	46.693	0.023	0.023	0.000	0.000	0.000	0.000
588	A	1591	LEU	0	-0.088	-0.041	47.637	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	1592	HIS	0	0.029	0.022	44.596	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	1593	THR	0	-0.013	-0.039	40.537	0.002	0.002	0.000	0.000	0.000	0.000
591	A	1594	TYR	0	-0.031	-0.040	34.825	-0.006	-0.006	0.000	0.000	0.000	0.000
592	A	1595	ARG	1	0.652	0.792	29.615	0.071	0.071	0.000	0.000	0.000	0.000
593	A	1596	ASP	-1	-0.882	-0.926	35.768	-0.062	-0.062	0.000	0.000	0.000	0.000
594	A	1597	ALA	0	-0.040	0.007	36.218	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	1598	ILE	0	0.035	0.031	36.533	0.004	0.004	0.000	0.000	0.000	0.000
596	A	1599	PRO	0	0.002	0.005	39.214	0.002	0.002	0.000	0.000	0.000	0.000
597	A	1600	THR	0	-0.027	-0.007	38.302	0.000	0.000	0.000	0.000	0.000	0.000
598	A	1601	GLN	0	0.068	0.003	41.578	0.003	0.003	0.000	0.000	0.000	0.000
599	A	1602	SER	0	0.007	0.007	40.549	0.000	0.000	0.000	0.000	0.000	0.000
600	A	1603	VAL	0	-0.049	-0.018	42.688	0.003	0.003	0.000	0.000	0.000	0.000
601	A	1604	LEU	0	-0.001	0.006	46.069	0.002	0.002	0.000	0.000	0.000	0.000
602	A	1605	THR	0	0.019	0.019	43.264	-0.003	-0.003	0.000	0.000	0.000	0.000
603	A	1606	ILE	0	0.005	0.011	45.829	0.001	0.001	0.000	0.000	0.000	0.000
604	A	1607	THR	0	0.036	0.008	43.708	-0.002	-0.002	0.000	0.000	0.000	0.000
605	A	1608	SER	0	-0.032	-0.034	46.839	0.001	0.001	0.000	0.000	0.000	0.000
606	A	1609	ASN	0	0.009	0.018	44.367	-0.002	-0.002	0.000	0.000	0.000	0.000
607	A	1610	VAL	0	-0.004	0.011	45.898	0.001	0.001	0.000	0.000	0.000	0.000
608	A	1611	VAL	0	0.027	0.015	47.036	0.001	0.001	0.000	0.000	0.000	0.000
609	A	1612	TYR	0	-0.017	-0.019	45.122	-0.002	-0.002	0.000	0.000	0.000	0.000
610	A	1613	GLY	0	0.010	0.015	50.012	0.002	0.002	0.000	0.000	0.000	0.000
611	A	1614	LYS	1	0.973	0.986	51.578	0.004	0.004	0.000	0.000	0.000	0.000

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