FMO DATABASE

FMODB ID: 9M4Y2

Calculation Name: 4J7R-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4J7R

Chain ID: A

ChEMBL ID:

UniProt ID: Q7X8Q2

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	800
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21286006.223704
FMO2-HF: Nuclear repulsion	20972647.184687
FMO2-HF: Total energy	-313359.039017
FMO2-MP2: Total energy	-314270.450039

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:76:LEU)

Summations of interaction energy for fragment #1(A:76:LEU)

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.
-23.986	-20.508	12.945	-7.94	-8.483	-0.06

Interaction energy analysis for fragmet #1(A:76:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.039 / q_NPA : 0.002

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	78	CYS	0	0.005	0.008	3.240	-2.130	0.775	0.617	-1.462	-2.061	0.005
4	A	79	GLU	-1	-0.877	-0.929	1.833	-21.971	-21.979	12.291	-6.312	-5.971	-0.065
5	A	80	PRO	0	-0.015	-0.025	4.668	0.131	0.175	-0.001	-0.012	-0.030	0.000
6	A	81	SER	0	-0.001	-0.004	7.226	-0.285	-0.285	0.000	0.000	0.000	0.000
7	A	82	GLY	0	-0.010	0.006	8.169	0.312	0.312	0.000	0.000	0.000	0.000
8	A	83	GLN	0	-0.035	-0.014	11.328	0.017	0.017	0.000	0.000	0.000	0.000
9	A	84	PRO	0	-0.021	-0.011	14.165	-0.071	-0.071	0.000	0.000	0.000	0.000
10	A	85	ALA	0	0.002	0.002	16.827	0.009	0.009	0.000	0.000	0.000	0.000
11	A	86	SER	0	0.016	0.008	18.267	0.058	0.058	0.000	0.000	0.000	0.000
12	A	87	THR	0	-0.043	-0.033	21.672	-0.003	-0.003	0.000	0.000	0.000	0.000
13	A	88	ALA	0	-0.017	-0.016	22.639	0.039	0.039	0.000	0.000	0.000	0.000
14	A	89	TYR	0	0.076	0.051	17.309	0.044	0.044	0.000	0.000	0.000	0.000
15	A	90	GLY	0	0.055	0.036	16.045	0.013	0.013	0.000	0.000	0.000	0.000
16	A	91	PRO	0	-0.041	-0.046	12.614	0.011	0.011	0.000	0.000	0.000	0.000
17	A	92	ALA	0	0.016	0.025	12.064	-0.058	-0.058	0.000	0.000	0.000	0.000
18	A	93	LEU	0	-0.054	-0.019	7.609	-0.233	-0.233	0.000	0.000	0.000	0.000
19	A	94	THR	0	0.012	0.001	2.898	0.146	0.683	0.038	-0.154	-0.421	0.000
20	A	95	GLY	0	0.028	0.015	5.862	0.816	0.816	0.000	0.000	0.000	0.000
21	A	96	ARG	1	0.785	0.859	6.021	-0.150	-0.150	0.000	0.000	0.000	0.000
22	A	97	PRO	0	0.024	0.011	7.928	-0.112	-0.112	0.000	0.000	0.000	0.000
23	A	98	ALA	0	-0.009	0.027	10.498	-0.034	-0.034	0.000	0.000	0.000	0.000
24	A	99	PRO	0	-0.024	-0.029	11.408	0.036	0.036	0.000	0.000	0.000	0.000
25	A	100	LEU	0	-0.001	0.002	14.437	-0.038	-0.038	0.000	0.000	0.000	0.000
26	A	101	GLY	0	0.050	0.026	16.911	0.006	0.006	0.000	0.000	0.000	0.000
27	A	102	ALA	0	-0.025	-0.002	16.582	-0.029	-0.029	0.000	0.000	0.000	0.000
28	A	103	SER	0	-0.053	-0.040	14.718	0.055	0.055	0.000	0.000	0.000	0.000
29	A	104	ILE	0	-0.033	-0.020	15.663	-0.056	-0.056	0.000	0.000	0.000	0.000
30	A	105	ASP	-1	-0.744	-0.824	10.330	-0.129	-0.129	0.000	0.000	0.000	0.000
31	A	106	ALA	0	-0.070	-0.039	12.888	-0.015	-0.015	0.000	0.000	0.000	0.000
32	A	107	ASP	-1	-0.955	-0.976	9.943	-0.019	-0.019	0.000	0.000	0.000	0.000
33	A	108	THR	0	-0.021	-0.050	9.323	-0.086	-0.086	0.000	0.000	0.000	0.000
34	A	109	GLY	0	-0.031	-0.005	12.464	-0.027	-0.027	0.000	0.000	0.000	0.000
35	A	110	ALA	0	-0.014	-0.002	11.997	0.015	0.015	0.000	0.000	0.000	0.000
36	A	111	ILE	0	-0.009	-0.001	14.136	0.084	0.084	0.000	0.000	0.000	0.000
37	A	112	ASN	0	0.033	0.020	10.084	-0.277	-0.277	0.000	0.000	0.000	0.000
38	A	113	PHE	0	0.007	-0.007	12.967	0.127	0.127	0.000	0.000	0.000	0.000
39	A	114	SER	0	-0.011	-0.019	12.898	-0.072	-0.072	0.000	0.000	0.000	0.000
40	A	115	VAL	0	0.022	0.017	14.588	0.039	0.039	0.000	0.000	0.000	0.000
41	A	116	PHE	0	0.019	0.005	16.511	0.005	0.005	0.000	0.000	0.000	0.000
42	A	117	SER	0	-0.033	-0.059	18.336	-0.024	-0.024	0.000	0.000	0.000	0.000
43	A	118	SER	0	-0.068	-0.043	18.707	0.001	0.001	0.000	0.000	0.000	0.000
44	A	119	SER	0	-0.037	-0.041	20.794	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	120	ALA	0	-0.011	0.021	19.669	-0.013	-0.013	0.000	0.000	0.000	0.000
46	A	121	GLU	-1	-0.803	-0.901	20.092	-0.051	-0.051	0.000	0.000	0.000	0.000
47	A	122	SER	0	-0.066	-0.049	18.159	-0.045	-0.045	0.000	0.000	0.000	0.000
48	A	123	VAL	0	0.010	0.018	16.609	0.031	0.031	0.000	0.000	0.000	0.000
49	A	124	SER	0	0.009	0.008	17.198	-0.069	-0.069	0.000	0.000	0.000	0.000
50	A	125	LEU	0	0.010	0.030	15.923	0.049	0.049	0.000	0.000	0.000	0.000
51	A	126	VAL	0	-0.033	-0.017	18.373	-0.020	-0.020	0.000	0.000	0.000	0.000
52	A	127	LEU	0	0.005	-0.003	19.598	0.010	0.010	0.000	0.000	0.000	0.000
53	A	128	PHE	0	0.036	0.009	23.455	0.004	0.004	0.000	0.000	0.000	0.000
54	A	129	THR	0	0.044	0.013	27.186	0.009	0.009	0.000	0.000	0.000	0.000
55	A	130	GLU	-1	-0.806	-0.904	29.720	-0.089	-0.089	0.000	0.000	0.000	0.000
56	A	131	ALA	0	-0.007	-0.001	32.673	0.009	0.009	0.000	0.000	0.000	0.000
57	A	132	ASP	-1	-0.774	-0.833	30.417	-0.172	-0.172	0.000	0.000	0.000	0.000
58	A	133	LEU	0	0.001	0.013	29.798	0.004	0.004	0.000	0.000	0.000	0.000
59	A	134	ASN	0	-0.058	-0.044	32.339	0.013	0.013	0.000	0.000	0.000	0.000
60	A	135	ALA	0	-0.047	-0.020	34.970	0.006	0.006	0.000	0.000	0.000	0.000
61	A	136	GLY	0	0.016	0.020	33.983	0.000	0.000	0.000	0.000	0.000	0.000
62	A	137	ARG	1	0.851	0.896	31.347	0.154	0.154	0.000	0.000	0.000	0.000
63	A	138	ALA	0	0.042	0.026	25.790	0.002	0.002	0.000	0.000	0.000	0.000
64	A	139	THR	0	-0.094	-0.072	26.157	0.009	0.009	0.000	0.000	0.000	0.000
65	A	140	PHE	0	-0.020	-0.026	22.029	-0.012	-0.012	0.000	0.000	0.000	0.000
66	A	141	GLU	-1	-0.809	-0.875	21.242	-0.223	-0.223	0.000	0.000	0.000	0.000
67	A	142	ILE	0	-0.036	-0.016	15.027	-0.027	-0.027	0.000	0.000	0.000	0.000
68	A	143	PRO	0	0.013	0.003	16.653	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	144	LEU	0	-0.039	-0.009	12.730	-0.114	-0.114	0.000	0.000	0.000	0.000
70	A	145	ASP	-1	-0.798	-0.902	10.240	-0.663	-0.663	0.000	0.000	0.000	0.000
71	A	146	PRO	0	-0.004	-0.023	11.227	-0.017	-0.017	0.000	0.000	0.000	0.000
72	A	147	TYR	0	-0.061	-0.024	10.590	0.168	0.168	0.000	0.000	0.000	0.000
73	A	148	VAL	0	-0.031	0.001	5.055	0.081	0.081	0.000	0.000	0.000	0.000
74	A	149	ASN	0	-0.029	-0.021	6.586	-0.106	-0.106	0.000	0.000	0.000	0.000
75	A	150	ARG	1	0.931	0.968	9.025	0.111	0.111	0.000	0.000	0.000	0.000
76	A	151	THR	0	-0.033	-0.008	8.042	0.118	0.118	0.000	0.000	0.000	0.000
77	A	152	GLY	0	0.024	0.025	10.540	0.001	0.001	0.000	0.000	0.000	0.000
78	A	153	ASP	-1	-0.850	-0.918	14.186	0.096	0.096	0.000	0.000	0.000	0.000
79	A	154	VAL	0	-0.028	-0.011	13.283	-0.037	-0.037	0.000	0.000	0.000	0.000
80	A	155	TRP	0	-0.009	-0.006	12.351	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	156	HIS	1	0.811	0.875	6.371	0.510	0.510	0.000	0.000	0.000	0.000
82	A	157	ILE	0	0.006	0.010	9.706	-0.181	-0.181	0.000	0.000	0.000	0.000
83	A	158	MET	0	-0.040	0.000	8.280	0.279	0.279	0.000	0.000	0.000	0.000
84	A	159	LEU	0	0.015	0.014	11.340	-0.178	-0.178	0.000	0.000	0.000	0.000
85	A	160	PRO	0	0.023	0.014	12.324	0.129	0.129	0.000	0.000	0.000	0.000
86	A	161	ASP	-1	-0.916	-0.972	14.760	-0.517	-0.517	0.000	0.000	0.000	0.000
87	A	162	LEU	0	-0.075	-0.024	18.027	0.026	0.026	0.000	0.000	0.000	0.000
88	A	163	ARG	1	0.820	0.884	19.797	0.285	0.285	0.000	0.000	0.000	0.000
89	A	164	ASP	-1	-0.921	-0.968	23.486	-0.174	-0.174	0.000	0.000	0.000	0.000
90	A	165	ASP	-1	-0.890	-0.924	25.307	-0.190	-0.190	0.000	0.000	0.000	0.000
91	A	166	LEU	0	-0.052	-0.023	23.214	0.004	0.004	0.000	0.000	0.000	0.000
92	A	167	LEU	0	-0.026	-0.014	25.247	0.011	0.011	0.000	0.000	0.000	0.000
93	A	168	TYR	0	-0.072	-0.072	20.158	-0.021	-0.021	0.000	0.000	0.000	0.000
94	A	169	GLY	0	0.025	0.017	22.352	0.034	0.034	0.000	0.000	0.000	0.000
95	A	170	TYR	0	0.013	-0.017	17.078	-0.047	-0.047	0.000	0.000	0.000	0.000
96	A	171	ARG	1	0.785	0.875	21.559	0.219	0.219	0.000	0.000	0.000	0.000
97	A	172	VAL	0	-0.005	-0.009	21.110	-0.025	-0.025	0.000	0.000	0.000	0.000
98	A	173	GLU	-1	-0.810	-0.895	22.163	-0.132	-0.132	0.000	0.000	0.000	0.000
99	A	174	GLY	0	0.028	0.012	22.826	0.002	0.002	0.000	0.000	0.000	0.000
100	A	175	VAL	0	-0.031	-0.002	25.285	-0.001	-0.001	0.000	0.000	0.000	0.000
101	A	176	HIS	0	0.030	0.013	28.672	0.009	0.009	0.000	0.000	0.000	0.000
102	A	177	GLN	0	0.049	0.021	31.689	0.002	0.002	0.000	0.000	0.000	0.000
103	A	178	GLU	-1	-0.846	-0.903	34.502	-0.019	-0.019	0.000	0.000	0.000	0.000
104	A	179	GLU	-1	-0.923	-0.949	31.287	-0.064	-0.064	0.000	0.000	0.000	0.000
105	A	180	ASP	-1	-0.829	-0.921	32.827	-0.026	-0.026	0.000	0.000	0.000	0.000
106	A	181	LYS	1	0.791	0.865	34.690	0.029	0.029	0.000	0.000	0.000	0.000
107	A	182	ASP	-1	-0.870	-0.922	34.180	0.003	0.003	0.000	0.000	0.000	0.000
108	A	183	TYR	0	-0.065	-0.028	29.581	0.007	0.007	0.000	0.000	0.000	0.000
109	A	184	PRO	0	0.017	0.023	32.463	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	185	GLY	0	0.072	0.021	32.683	0.007	0.007	0.000	0.000	0.000	0.000
111	A	186	MET	0	-0.035	0.015	26.469	0.001	0.001	0.000	0.000	0.000	0.000
112	A	187	ARG	1	0.809	0.872	29.508	0.014	0.014	0.000	0.000	0.000	0.000
113	A	188	HIS	0	0.018	0.028	24.296	-0.011	-0.011	0.000	0.000	0.000	0.000
114	A	189	ASP	-1	-0.773	-0.877	28.279	-0.083	-0.083	0.000	0.000	0.000	0.000
115	A	190	LYS	1	0.897	0.945	26.615	0.140	0.140	0.000	0.000	0.000	0.000
116	A	191	ARG	1	0.850	0.903	27.563	0.070	0.070	0.000	0.000	0.000	0.000
117	A	192	ARG	1	0.826	0.908	29.002	0.077	0.077	0.000	0.000	0.000	0.000
118	A	193	VAL	0	0.017	0.010	24.483	-0.012	-0.012	0.000	0.000	0.000	0.000
119	A	194	VAL	0	-0.018	0.015	23.756	0.011	0.011	0.000	0.000	0.000	0.000
120	A	195	LEU	0	0.017	0.001	24.511	-0.018	-0.018	0.000	0.000	0.000	0.000
121	A	196	ASP	-1	-0.750	-0.849	20.199	-0.068	-0.068	0.000	0.000	0.000	0.000
122	A	197	PRO	0	0.032	0.013	22.411	0.005	0.005	0.000	0.000	0.000	0.000
123	A	198	TYR	0	-0.024	-0.042	21.089	0.008	0.008	0.000	0.000	0.000	0.000
124	A	199	ALA	0	-0.061	-0.019	23.211	-0.004	-0.004	0.000	0.000	0.000	0.000
125	A	200	VAL	0	0.033	0.021	24.219	0.009	0.009	0.000	0.000	0.000	0.000
126	A	201	ALA	0	0.012	-0.007	25.957	0.007	0.007	0.000	0.000	0.000	0.000
127	A	202	VAL	0	0.005	0.010	27.706	-0.013	-0.013	0.000	0.000	0.000	0.000
128	A	203	LEU	0	-0.021	-0.001	30.192	0.006	0.006	0.000	0.000	0.000	0.000
129	A	204	ASN	0	0.004	-0.024	31.859	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	205	ARG	1	0.778	0.872	34.622	0.042	0.042	0.000	0.000	0.000	0.000
131	A	206	ARG	1	0.766	0.864	35.643	0.079	0.079	0.000	0.000	0.000	0.000
132	A	207	ARG	1	0.856	0.914	39.200	0.048	0.048	0.000	0.000	0.000	0.000
133	A	208	TRP	0	0.037	0.016	42.817	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	209	GLY	0	-0.012	-0.012	44.259	0.000	0.000	0.000	0.000	0.000	0.000
135	A	210	GLN	0	-0.055	-0.011	41.395	0.000	0.000	0.000	0.000	0.000	0.000
136	A	211	MET	0	0.009	0.020	42.923	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	212	GLY	0	0.031	0.011	40.395	-0.003	-0.003	0.000	0.000	0.000	0.000
138	A	213	PRO	0	-0.016	0.007	38.493	0.004	0.004	0.000	0.000	0.000	0.000
139	A	214	ASN	0	-0.026	-0.014	41.317	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	215	LEU	0	0.026	0.020	37.343	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	216	PRO	0	0.017	0.025	39.877	0.006	0.006	0.000	0.000	0.000	0.000
142	A	217	TYR	0	-0.049	-0.057	37.054	-0.004	-0.004	0.000	0.000	0.000	0.000
143	A	218	GLY	0	-0.012	-0.008	38.138	0.006	0.006	0.000	0.000	0.000	0.000
144	A	219	GLU	-1	-0.991	-0.989	38.823	-0.092	-0.092	0.000	0.000	0.000	0.000
145	A	220	GLU	-1	-0.894	-0.944	32.971	-0.131	-0.131	0.000	0.000	0.000	0.000
146	A	221	GLY	0	-0.044	-0.028	32.188	0.000	0.000	0.000	0.000	0.000	0.000
147	A	222	VAL	0	-0.071	-0.025	32.474	-0.008	-0.008	0.000	0.000	0.000	0.000
148	A	223	LEU	0	-0.049	-0.011	28.890	0.001	0.001	0.000	0.000	0.000	0.000
149	A	224	GLY	0	0.012	0.004	32.854	0.005	0.005	0.000	0.000	0.000	0.000
150	A	225	VAL	0	-0.083	-0.045	34.595	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	226	MET	0	0.018	0.011	37.247	0.004	0.004	0.000	0.000	0.000	0.000
152	A	227	PRO	0	0.037	0.025	39.792	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	228	THR	0	0.056	0.014	41.522	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	229	TRP	0	-0.041	-0.008	35.626	0.002	0.002	0.000	0.000	0.000	0.000
155	A	230	PRO	0	0.032	0.023	36.423	-0.004	-0.004	0.000	0.000	0.000	0.000
156	A	231	GLN	0	0.001	-0.026	29.029	0.005	0.005	0.000	0.000	0.000	0.000
157	A	232	ALA	0	-0.015	-0.006	30.599	0.002	0.002	0.000	0.000	0.000	0.000
158	A	233	ALA	0	-0.005	0.005	26.878	-0.011	-0.011	0.000	0.000	0.000	0.000
159	A	234	ALA	0	0.026	0.012	24.145	0.016	0.016	0.000	0.000	0.000	0.000
160	A	235	ALA	0	-0.012	-0.018	25.242	-0.022	-0.022	0.000	0.000	0.000	0.000
161	A	236	LEU	0	0.045	0.030	20.302	0.004	0.004	0.000	0.000	0.000	0.000
162	A	237	PRO	0	0.029	0.022	19.130	0.022	0.022	0.000	0.000	0.000	0.000
163	A	238	ALA	0	-0.009	-0.007	22.474	-0.014	-0.014	0.000	0.000	0.000	0.000
164	A	239	ALA	0	0.042	0.024	22.209	0.001	0.001	0.000	0.000	0.000	0.000
165	A	240	ARG	1	0.981	0.976	18.315	0.034	0.034	0.000	0.000	0.000	0.000
166	A	241	GLY	0	-0.004	-0.002	21.826	-0.009	-0.009	0.000	0.000	0.000	0.000
167	A	242	SER	0	-0.040	-0.009	25.123	0.004	0.004	0.000	0.000	0.000	0.000
168	A	243	ALA	0	-0.025	-0.021	26.603	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	244	PHE	0	0.024	0.013	28.434	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	245	ASP	-1	-0.855	-0.912	31.805	0.024	0.024	0.000	0.000	0.000	0.000
171	A	246	TRP	0	0.034	0.001	31.231	-0.003	-0.003	0.000	0.000	0.000	0.000
172	A	247	GLU	-1	-0.813	-0.884	35.572	0.012	0.012	0.000	0.000	0.000	0.000
173	A	248	GLY	0	-0.034	-0.016	36.753	0.001	0.001	0.000	0.000	0.000	0.000
174	A	249	ASP	-1	-0.838	-0.891	37.136	0.041	0.041	0.000	0.000	0.000	0.000
175	A	250	THR	0	-0.027	-0.021	36.224	0.007	0.007	0.000	0.000	0.000	0.000
176	A	251	PRO	0	0.006	0.002	35.490	-0.005	-0.005	0.000	0.000	0.000	0.000
177	A	252	LEU	0	-0.038	-0.007	38.510	0.002	0.002	0.000	0.000	0.000	0.000
178	A	253	ASN	0	-0.028	-0.003	40.324	0.006	0.006	0.000	0.000	0.000	0.000
179	A	254	LEU	0	-0.004	0.008	42.220	0.001	0.001	0.000	0.000	0.000	0.000
180	A	255	PRO	0	0.006	0.005	45.535	0.002	0.002	0.000	0.000	0.000	0.000
181	A	256	MET	0	0.059	0.048	45.378	-0.003	-0.003	0.000	0.000	0.000	0.000
182	A	257	GLU	-1	-0.840	-0.924	47.748	0.048	0.048	0.000	0.000	0.000	0.000
183	A	258	SER	0	-0.091	-0.058	49.823	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	259	LEU	0	-0.045	-0.008	46.047	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	260	VAL	0	-0.020	-0.020	50.710	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	261	ILE	0	0.004	0.009	47.058	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	262	TYR	0	-0.051	-0.055	49.254	-0.002	-0.002	0.000	0.000	0.000	0.000
188	A	263	GLU	-1	-0.724	-0.854	47.504	0.017	0.017	0.000	0.000	0.000	0.000
189	A	264	ALA	0	-0.009	-0.018	47.115	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	265	HIS	0	0.051	0.022	45.181	0.001	0.001	0.000	0.000	0.000	0.000
191	A	266	VAL	0	0.014	0.008	41.672	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	267	ARG	1	0.831	0.908	45.092	0.018	0.018	0.000	0.000	0.000	0.000
193	A	268	GLY	0	0.045	0.013	47.135	-0.001	-0.001	0.000	0.000	0.000	0.000
194	A	269	PHE	0	-0.004	0.001	48.552	0.000	0.000	0.000	0.000	0.000	0.000
195	A	270	THR	0	0.031	0.004	49.214	0.000	0.000	0.000	0.000	0.000	0.000
196	A	271	ALA	0	0.033	0.031	50.045	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	272	HIS	0	-0.005	0.027	51.784	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	273	ALA	0	0.020	0.004	55.585	0.000	0.000	0.000	0.000	0.000	0.000
199	A	274	SER	0	-0.041	-0.045	57.448	0.000	0.000	0.000	0.000	0.000	0.000
200	A	275	SER	0	-0.019	-0.010	53.626	0.001	0.001	0.000	0.000	0.000	0.000
201	A	276	GLY	0	0.012	0.006	55.726	0.001	0.001	0.000	0.000	0.000	0.000
202	A	277	VAL	0	-0.078	-0.017	50.374	0.000	0.000	0.000	0.000	0.000	0.000
203	A	278	ALA	0	-0.037	-0.027	49.626	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	279	ALA	0	-0.039	-0.026	46.146	-0.003	-0.003	0.000	0.000	0.000	0.000
205	A	280	PRO	0	-0.002	0.001	47.754	0.002	0.002	0.000	0.000	0.000	0.000
206	A	281	GLY	0	-0.017	0.010	47.785	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	282	THR	0	-0.032	-0.029	43.253	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	283	TYR	0	0.047	-0.006	37.412	0.005	0.005	0.000	0.000	0.000	0.000
209	A	284	ALA	0	0.008	0.000	42.354	0.003	0.003	0.000	0.000	0.000	0.000
210	A	285	GLY	0	0.011	0.005	44.015	0.002	0.002	0.000	0.000	0.000	0.000
211	A	286	MET	0	-0.040	-0.009	44.851	0.002	0.002	0.000	0.000	0.000	0.000
212	A	287	VAL	0	0.027	0.000	43.110	0.003	0.003	0.000	0.000	0.000	0.000
213	A	288	GLU	-1	-0.805	-0.887	46.224	-0.009	-0.009	0.000	0.000	0.000	0.000
214	A	289	ARG	1	0.765	0.874	49.517	0.006	0.006	0.000	0.000	0.000	0.000
215	A	290	LEU	0	0.030	0.022	45.260	0.002	0.002	0.000	0.000	0.000	0.000
216	A	291	ASP	-1	-0.846	-0.921	49.902	0.010	0.010	0.000	0.000	0.000	0.000
217	A	292	TYR	0	-0.047	-0.029	53.024	0.001	0.001	0.000	0.000	0.000	0.000
218	A	293	LEU	0	0.044	0.021	49.398	0.001	0.001	0.000	0.000	0.000	0.000
219	A	294	LYS	1	0.964	0.991	51.880	-0.015	-0.015	0.000	0.000	0.000	0.000
220	A	295	SER	0	-0.057	-0.047	53.384	0.001	0.001	0.000	0.000	0.000	0.000
221	A	296	LEU	0	-0.053	-0.021	55.026	0.000	0.000	0.000	0.000	0.000	0.000
222	A	297	GLY	0	0.039	0.008	55.777	0.001	0.001	0.000	0.000	0.000	0.000
223	A	298	VAL	0	-0.048	-0.011	50.028	0.002	0.002	0.000	0.000	0.000	0.000
224	A	299	ASN	0	-0.007	-0.024	49.393	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	300	ALA	0	0.017	0.018	46.183	0.003	0.003	0.000	0.000	0.000	0.000
226	A	301	ILE	0	-0.015	-0.001	44.111	-0.002	-0.002	0.000	0.000	0.000	0.000
227	A	302	GLU	-1	-0.827	-0.936	43.812	0.035	0.035	0.000	0.000	0.000	0.000
228	A	303	LEU	0	-0.032	-0.019	41.009	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	304	LEU	0	0.030	-0.003	41.918	0.002	0.002	0.000	0.000	0.000	0.000
230	A	305	PRO	0	-0.042	-0.009	38.887	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	306	VAL	0	0.036	0.016	36.032	-0.005	-0.005	0.000	0.000	0.000	0.000
232	A	307	PHE	0	-0.023	0.001	33.406	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	308	GLU	-1	-0.741	-0.852	32.866	-0.043	-0.043	0.000	0.000	0.000	0.000
234	A	309	PHE	0	0.069	0.054	34.888	0.001	0.001	0.000	0.000	0.000	0.000
235	A	310	ASN	0	0.020	0.002	37.619	-0.004	-0.004	0.000	0.000	0.000	0.000
236	A	311	GLU	-1	-0.682	-0.799	39.598	-0.032	-0.032	0.000	0.000	0.000	0.000
237	A	312	LEU	0	-0.023	-0.019	42.404	0.001	0.001	0.000	0.000	0.000	0.000
238	A	313	GLU	-1	-0.809	-0.862	41.044	-0.015	-0.015	0.000	0.000	0.000	0.000
239	A	314	TYR	0	-0.008	-0.010	42.508	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	315	TYR	0	-0.010	0.003	45.846	0.001	0.001	0.000	0.000	0.000	0.000
241	A	316	SER	0	-0.038	-0.027	47.818	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	317	GLN	0	-0.012	0.001	51.290	0.000	0.000	0.000	0.000	0.000	0.000
243	A	318	ILE	0	-0.012	0.001	54.123	0.001	0.001	0.000	0.000	0.000	0.000
244	A	319	PRO	0	-0.053	-0.036	56.382	0.000	0.000	0.000	0.000	0.000	0.000
245	A	320	GLY	0	-0.016	-0.005	59.507	0.001	0.001	0.000	0.000	0.000	0.000
246	A	321	SER	0	-0.063	-0.023	59.134	0.001	0.001	0.000	0.000	0.000	0.000
247	A	322	ASP	-1	-0.880	-0.942	59.963	-0.017	-0.017	0.000	0.000	0.000	0.000
248	A	323	GLN	0	0.033	0.030	54.442	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	324	TYR	0	-0.058	-0.048	51.637	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	325	ARG	1	0.814	0.898	49.768	0.013	0.013	0.000	0.000	0.000	0.000
251	A	326	PHE	0	0.028	0.001	46.970	-0.003	-0.003	0.000	0.000	0.000	0.000
252	A	327	ASN	0	-0.064	-0.021	43.344	0.004	0.004	0.000	0.000	0.000	0.000
253	A	328	PHE	0	-0.017	-0.031	45.127	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	329	TRP	0	0.021	-0.009	45.770	0.000	0.000	0.000	0.000	0.000	0.000
255	A	330	GLY	0	0.080	0.024	41.921	0.002	0.002	0.000	0.000	0.000	0.000
256	A	331	TYR	0	-0.096	-0.073	40.439	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	332	SER	0	-0.004	-0.040	39.428	0.001	0.001	0.000	0.000	0.000	0.000
258	A	333	THR	0	-0.023	0.003	33.177	-0.006	-0.006	0.000	0.000	0.000	0.000
259	A	334	VAL	0	-0.044	-0.021	32.308	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	335	ASN	0	-0.034	-0.023	26.746	0.002	0.002	0.000	0.000	0.000	0.000
261	A	336	TYR	0	0.055	0.007	28.864	0.000	0.000	0.000	0.000	0.000	0.000
262	A	337	PHE	0	0.020	0.023	24.104	0.010	0.010	0.000	0.000	0.000	0.000
263	A	338	SER	0	-0.017	0.000	28.219	-0.006	-0.006	0.000	0.000	0.000	0.000
264	A	339	PRO	0	0.006	-0.001	30.259	0.005	0.005	0.000	0.000	0.000	0.000
265	A	340	MET	0	-0.026	0.015	33.768	-0.010	-0.010	0.000	0.000	0.000	0.000
266	A	341	GLY	0	0.046	0.027	35.697	0.001	0.001	0.000	0.000	0.000	0.000
267	A	342	ARG	1	0.716	0.811	36.374	0.040	0.040	0.000	0.000	0.000	0.000
268	A	343	PHE	0	-0.005	0.002	39.364	0.002	0.002	0.000	0.000	0.000	0.000
269	A	344	SER	0	-0.060	-0.038	37.604	0.001	0.001	0.000	0.000	0.000	0.000
270	A	345	ALA	0	0.020	-0.004	39.658	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	346	ALA	0	-0.001	0.000	37.946	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	347	VAL	0	-0.001	0.000	35.302	-0.006	-0.006	0.000	0.000	0.000	0.000
273	A	348	GLY	0	0.056	0.035	38.000	-0.005	-0.005	0.000	0.000	0.000	0.000
274	A	349	GLN	0	-0.052	-0.036	41.506	-0.003	-0.003	0.000	0.000	0.000	0.000
275	A	350	GLY	0	0.004	0.010	39.165	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	351	ALA	0	-0.021	0.002	35.816	-0.007	-0.007	0.000	0.000	0.000	0.000
277	A	352	PRO	0	0.055	0.015	30.843	0.000	0.000	0.000	0.000	0.000	0.000
278	A	353	ALA	0	0.059	0.032	30.269	0.007	0.007	0.000	0.000	0.000	0.000
279	A	354	ARG	1	0.928	0.958	25.320	0.122	0.122	0.000	0.000	0.000	0.000
280	A	355	ALA	0	0.016	0.014	30.359	0.009	0.009	0.000	0.000	0.000	0.000
281	A	356	SER	0	-0.036	-0.032	32.888	0.008	0.008	0.000	0.000	0.000	0.000
282	A	357	CYS	0	-0.013	0.008	30.035	0.003	0.003	0.000	0.000	0.000	0.000
283	A	358	ASP	-1	-0.831	-0.935	31.835	-0.016	-0.016	0.000	0.000	0.000	0.000
284	A	359	GLU	-1	-0.779	-0.855	34.178	-0.020	-0.020	0.000	0.000	0.000	0.000
285	A	360	PHE	0	0.020	0.012	35.045	0.004	0.004	0.000	0.000	0.000	0.000
286	A	361	LYS	1	0.792	0.895	28.861	-0.009	-0.009	0.000	0.000	0.000	0.000
287	A	362	GLN	0	-0.028	0.000	35.665	0.005	0.005	0.000	0.000	0.000	0.000
288	A	363	LEU	0	0.011	-0.002	38.969	0.002	0.002	0.000	0.000	0.000	0.000
289	A	364	VAL	0	0.028	0.024	37.050	0.002	0.002	0.000	0.000	0.000	0.000
290	A	365	LYS	1	0.769	0.881	37.508	-0.007	-0.007	0.000	0.000	0.000	0.000
291	A	366	GLU	-1	-0.816	-0.888	40.299	0.008	0.008	0.000	0.000	0.000	0.000
292	A	367	CYS	0	-0.064	-0.026	42.834	0.000	0.000	0.000	0.000	0.000	0.000
293	A	368	HIS	1	0.828	0.877	38.293	-0.037	-0.037	0.000	0.000	0.000	0.000
294	A	369	ARG	1	0.762	0.851	42.577	-0.011	-0.011	0.000	0.000	0.000	0.000
295	A	370	ARG	1	0.721	0.845	45.712	-0.010	-0.010	0.000	0.000	0.000	0.000
296	A	371	GLY	0	-0.033	-0.010	47.129	0.000	0.000	0.000	0.000	0.000	0.000
297	A	372	ILE	0	-0.075	-0.039	46.140	0.001	0.001	0.000	0.000	0.000	0.000
298	A	373	GLU	-1	-0.772	-0.872	43.012	0.049	0.049	0.000	0.000	0.000	0.000
299	A	374	VAL	0	-0.005	-0.021	39.834	-0.004	-0.004	0.000	0.000	0.000	0.000
300	A	375	ILE	0	-0.025	-0.005	40.027	0.005	0.005	0.000	0.000	0.000	0.000
301	A	376	LEU	0	-0.011	-0.005	35.435	-0.005	-0.005	0.000	0.000	0.000	0.000
302	A	377	ASP	-1	-0.744	-0.842	39.325	0.029	0.029	0.000	0.000	0.000	0.000
303	A	378	VAL	0	-0.047	-0.018	35.331	-0.002	-0.002	0.000	0.000	0.000	0.000
304	A	379	VAL	0	0.037	0.017	37.134	0.004	0.004	0.000	0.000	0.000	0.000
305	A	380	PHE	0	0.040	-0.001	30.735	-0.003	-0.003	0.000	0.000	0.000	0.000
306	A	381	ASN	0	-0.032	-0.023	34.758	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	382	HIS	0	0.001	-0.013	36.720	-0.003	-0.003	0.000	0.000	0.000	0.000
308	A	383	THR	0	-0.002	-0.013	32.475	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	384	ALA	0	0.051	0.013	35.836	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	385	GLU	-1	-0.710	-0.814	31.123	-0.031	-0.031	0.000	0.000	0.000	0.000
311	A	386	GLY	0	0.027	0.028	35.641	-0.002	-0.002	0.000	0.000	0.000	0.000
312	A	387	ASN	0	0.018	0.002	37.585	0.001	0.001	0.000	0.000	0.000	0.000
313	A	388	GLU	-1	-0.811	-0.890	37.431	-0.012	-0.012	0.000	0.000	0.000	0.000
314	A	389	ARG	1	0.773	0.872	38.490	0.014	0.014	0.000	0.000	0.000	0.000
315	A	390	GLY	0	0.021	0.035	38.903	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	391	PRO	0	-0.024	-0.011	35.671	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	392	THR	0	-0.003	-0.013	29.959	0.007	0.007	0.000	0.000	0.000	0.000
318	A	393	ILE	0	-0.060	-0.031	30.866	-0.008	-0.008	0.000	0.000	0.000	0.000
319	A	394	SER	0	-0.035	-0.050	26.283	-0.005	-0.005	0.000	0.000	0.000	0.000
320	A	395	PHE	0	0.063	0.026	26.775	-0.006	-0.006	0.000	0.000	0.000	0.000
321	A	396	ARG	1	0.830	0.900	27.352	0.023	0.023	0.000	0.000	0.000	0.000
322	A	397	GLY	0	-0.008	-0.009	27.365	0.000	0.000	0.000	0.000	0.000	0.000
323	A	398	LEU	0	-0.023	0.012	21.589	-0.014	-0.014	0.000	0.000	0.000	0.000
324	A	399	ASP	-1	-0.724	-0.840	23.202	0.045	0.045	0.000	0.000	0.000	0.000
325	A	400	ASN	0	0.003	0.030	25.267	0.014	0.014	0.000	0.000	0.000	0.000
326	A	401	ARG	1	0.846	0.913	27.590	-0.026	-0.026	0.000	0.000	0.000	0.000
327	A	402	VAL	0	-0.036	0.011	24.166	0.011	0.011	0.000	0.000	0.000	0.000
328	A	403	TYR	0	0.023	-0.009	22.336	0.013	0.013	0.000	0.000	0.000	0.000
329	A	404	TYR	0	-0.053	-0.039	28.715	0.003	0.003	0.000	0.000	0.000	0.000
330	A	405	MET	0	-0.005	0.013	32.414	0.003	0.003	0.000	0.000	0.000	0.000
331	A	406	LEU	0	-0.037	0.009	32.214	-0.007	-0.007	0.000	0.000	0.000	0.000
332	A	407	ALA	0	0.032	0.028	35.917	0.008	0.008	0.000	0.000	0.000	0.000
333	A	408	PRO	0	0.050	-0.002	37.114	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	409	GLY	0	0.007	0.021	37.263	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	410	GLY	0	-0.052	-0.034	35.684	-0.006	-0.006	0.000	0.000	0.000	0.000
336	A	411	GLU	-1	-0.892	-0.943	36.524	0.011	0.011	0.000	0.000	0.000	0.000
337	A	412	TYR	0	-0.026	-0.037	33.330	0.002	0.002	0.000	0.000	0.000	0.000
338	A	413	TYR	0	0.045	0.017	38.399	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	414	ASN	0	-0.046	-0.010	39.844	0.000	0.000	0.000	0.000	0.000	0.000
340	A	415	TYR	0	0.057	0.020	40.478	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	416	SER	0	0.042	0.017	40.667	0.000	0.000	0.000	0.000	0.000	0.000
342	A	417	GLY	0	-0.013	0.012	42.986	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	418	CYS	0	-0.031	-0.027	41.672	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	419	GLY	0	-0.012	-0.004	41.564	-0.004	-0.004	0.000	0.000	0.000	0.000
345	A	420	ASN	0	-0.070	-0.043	36.209	0.004	0.004	0.000	0.000	0.000	0.000
346	A	421	THR	0	0.041	0.001	37.340	0.001	0.001	0.000	0.000	0.000	0.000
347	A	422	LEU	0	0.030	0.027	30.568	0.001	0.001	0.000	0.000	0.000	0.000
348	A	423	ASN	0	0.011	0.010	30.176	0.002	0.002	0.000	0.000	0.000	0.000
349	A	424	CYS	0	-0.047	-0.041	31.401	0.010	0.010	0.000	0.000	0.000	0.000
350	A	425	ASN	0	0.040	-0.006	31.317	0.014	0.014	0.000	0.000	0.000	0.000
351	A	426	GLN	0	0.032	0.042	26.105	0.026	0.026	0.000	0.000	0.000	0.000
352	A	427	PRO	0	-0.002	-0.019	24.562	-0.002	-0.002	0.000	0.000	0.000	0.000
353	A	428	VAL	0	0.023	0.015	21.832	0.008	0.008	0.000	0.000	0.000	0.000
354	A	429	VAL	0	0.002	0.011	24.062	-0.007	-0.007	0.000	0.000	0.000	0.000
355	A	430	ARG	1	0.900	0.967	27.275	-0.160	-0.160	0.000	0.000	0.000	0.000
356	A	431	GLN	0	-0.063	-0.031	21.092	0.011	0.011	0.000	0.000	0.000	0.000
357	A	432	PHE	0	-0.001	0.001	24.246	-0.006	-0.006	0.000	0.000	0.000	0.000
358	A	433	ILE	0	0.006	0.001	25.206	-0.009	-0.009	0.000	0.000	0.000	0.000
359	A	434	LEU	0	0.004	-0.002	26.203	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	435	ASP	-1	-0.832	-0.897	21.897	0.172	0.172	0.000	0.000	0.000	0.000
361	A	436	CYS	0	-0.055	0.004	25.161	-0.010	-0.010	0.000	0.000	0.000	0.000
362	A	437	LEU	0	-0.007	-0.005	27.859	-0.007	-0.007	0.000	0.000	0.000	0.000
363	A	438	LYS	1	0.873	0.924	24.407	-0.182	-0.182	0.000	0.000	0.000	0.000
364	A	439	HIS	0	-0.054	-0.006	25.779	0.007	0.007	0.000	0.000	0.000	0.000
365	A	440	TRP	0	-0.003	-0.024	27.416	-0.006	-0.006	0.000	0.000	0.000	0.000
366	A	441	VAL	0	-0.006	0.008	30.939	-0.005	-0.005	0.000	0.000	0.000	0.000
367	A	442	THR	0	-0.066	-0.058	26.357	0.000	0.000	0.000	0.000	0.000	0.000
368	A	443	GLU	-1	-0.865	-0.941	25.955	0.023	0.023	0.000	0.000	0.000	0.000
369	A	444	TYR	0	-0.028	-0.010	29.127	-0.016	-0.016	0.000	0.000	0.000	0.000
370	A	445	HIS	1	0.781	0.892	31.921	-0.056	-0.056	0.000	0.000	0.000	0.000
371	A	446	VAL	0	0.048	0.025	34.532	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	447	ASP	-1	-0.733	-0.843	36.079	0.051	0.051	0.000	0.000	0.000	0.000
373	A	448	GLY	0	-0.016	-0.018	38.664	0.005	0.005	0.000	0.000	0.000	0.000
374	A	449	PHE	0	-0.017	-0.004	33.129	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	450	ARG	1	0.771	0.873	38.748	-0.025	-0.025	0.000	0.000	0.000	0.000
376	A	451	PHE	0	0.007	-0.021	34.657	-0.003	-0.003	0.000	0.000	0.000	0.000
377	A	452	ASP	-1	-0.724	-0.860	39.832	0.024	0.024	0.000	0.000	0.000	0.000
378	A	453	LEU	0	-0.024	-0.007	40.486	0.003	0.003	0.000	0.000	0.000	0.000
379	A	454	ALA	0	0.013	0.016	40.166	0.003	0.003	0.000	0.000	0.000	0.000
380	A	455	SER	0	0.002	-0.019	40.424	0.004	0.004	0.000	0.000	0.000	0.000
381	A	456	ILE	0	-0.025	0.009	37.930	0.004	0.004	0.000	0.000	0.000	0.000
382	A	457	LEU	0	-0.010	-0.008	35.465	0.003	0.003	0.000	0.000	0.000	0.000
383	A	458	THR	0	-0.005	-0.017	36.817	0.007	0.007	0.000	0.000	0.000	0.000
384	A	459	ARG	1	0.677	0.822	39.132	-0.040	-0.040	0.000	0.000	0.000	0.000
385	A	460	ALA	0	0.006	0.009	36.665	0.005	0.005	0.000	0.000	0.000	0.000
386	A	461	HIS	0	-0.013	-0.009	31.807	-0.010	-0.010	0.000	0.000	0.000	0.000
387	A	462	SER	0	0.016	-0.012	33.459	0.000	0.000	0.000	0.000	0.000	0.000
388	A	463	ALA	0	-0.037	-0.013	30.907	0.006	0.006	0.000	0.000	0.000	0.000
389	A	464	TRP	0	0.032	-0.003	28.922	-0.010	-0.010	0.000	0.000	0.000	0.000
390	A	465	HIS	0	-0.004	-0.003	28.512	0.019	0.019	0.000	0.000	0.000	0.000
391	A	466	PRO	0	-0.016	-0.004	23.476	-0.010	-0.010	0.000	0.000	0.000	0.000
392	A	467	GLN	0	-0.011	-0.022	24.034	-0.003	-0.003	0.000	0.000	0.000	0.000
393	A	468	GLN	0	0.026	0.011	23.691	0.006	0.006	0.000	0.000	0.000	0.000
394	A	469	TYR	0	-0.055	-0.062	22.596	-0.010	-0.010	0.000	0.000	0.000	0.000
395	A	470	ASP	-1	-0.831	-0.893	24.736	0.018	0.018	0.000	0.000	0.000	0.000
396	A	471	GLN	0	-0.086	-0.054	23.283	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	472	GLU	-1	-0.921	-0.943	23.436	0.008	0.008	0.000	0.000	0.000	0.000
398	A	473	THR	0	-0.102	-0.074	25.457	-0.020	-0.020	0.000	0.000	0.000	0.000
399	A	474	GLY	0	-0.005	0.001	23.204	-0.016	-0.016	0.000	0.000	0.000	0.000
400	A	475	GLN	0	-0.043	-0.022	23.598	0.000	0.000	0.000	0.000	0.000	0.000
401	A	476	ARG	1	0.850	0.924	25.571	0.055	0.055	0.000	0.000	0.000	0.000
402	A	477	VAL	0	-0.027	-0.017	26.617	-0.005	-0.005	0.000	0.000	0.000	0.000
403	A	478	ALA	0	0.037	0.034	29.651	0.007	0.007	0.000	0.000	0.000	0.000
404	A	479	MET	0	-0.019	-0.005	28.585	0.010	0.010	0.000	0.000	0.000	0.000
405	A	480	SER	0	0.025	0.005	33.330	-0.006	-0.006	0.000	0.000	0.000	0.000
406	A	481	SER	0	-0.019	-0.010	35.422	0.003	0.003	0.000	0.000	0.000	0.000
407	A	482	GLY	0	0.081	0.051	34.358	0.000	0.000	0.000	0.000	0.000	0.000
408	A	483	GLY	0	-0.013	-0.008	31.389	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	484	ALA	0	-0.039	-0.003	32.174	0.009	0.009	0.000	0.000	0.000	0.000
410	A	485	ILE	0	-0.028	-0.015	30.730	0.001	0.001	0.000	0.000	0.000	0.000
411	A	486	VAL	0	-0.025	-0.017	35.013	-0.003	-0.003	0.000	0.000	0.000	0.000
412	A	487	THR	0	-0.015	-0.026	38.840	0.003	0.003	0.000	0.000	0.000	0.000
413	A	488	ALA	0	-0.018	-0.010	42.024	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	489	GLU	-1	-0.917	-0.946	44.437	0.046	0.046	0.000	0.000	0.000	0.000
415	A	490	GLY	0	-0.014	-0.003	42.339	-0.004	-0.004	0.000	0.000	0.000	0.000
416	A	491	ILE	0	-0.038	-0.015	42.071	-0.002	-0.002	0.000	0.000	0.000	0.000
417	A	492	MET	0	0.021	0.020	34.501	0.003	0.003	0.000	0.000	0.000	0.000
418	A	493	THR	0	-0.024	-0.006	36.981	0.001	0.001	0.000	0.000	0.000	0.000
419	A	494	ASP	-1	-0.719	-0.861	34.487	0.101	0.101	0.000	0.000	0.000	0.000
420	A	495	GLY	0	-0.022	-0.015	32.250	0.009	0.009	0.000	0.000	0.000	0.000
421	A	496	ALA	0	-0.089	-0.044	33.269	0.008	0.008	0.000	0.000	0.000	0.000
422	A	497	GLY	0	-0.034	-0.017	35.009	0.000	0.000	0.000	0.000	0.000	0.000
423	A	498	VAL	0	-0.053	-0.015	37.951	-0.007	-0.007	0.000	0.000	0.000	0.000
424	A	499	PRO	0	0.000	0.004	38.676	0.001	0.001	0.000	0.000	0.000	0.000
425	A	500	THR	0	-0.007	-0.044	36.942	0.000	0.000	0.000	0.000	0.000	0.000
426	A	501	GLY	0	0.005	-0.002	39.207	-0.005	-0.005	0.000	0.000	0.000	0.000
427	A	502	TYR	0	-0.040	-0.008	41.108	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	503	PRO	0	-0.009	-0.007	41.036	0.005	0.005	0.000	0.000	0.000	0.000
429	A	504	LEU	0	0.016	0.006	36.629	0.000	0.000	0.000	0.000	0.000	0.000
430	A	505	ALA	0	0.013	-0.004	40.981	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	506	ASP	-1	-0.860	-0.901	38.305	0.103	0.103	0.000	0.000	0.000	0.000
432	A	507	PRO	0	-0.028	0.014	36.617	0.005	0.005	0.000	0.000	0.000	0.000
433	A	508	PRO	0	0.091	0.033	31.423	0.000	0.000	0.000	0.000	0.000	0.000
434	A	509	LEU	0	-0.034	-0.010	30.879	0.009	0.009	0.000	0.000	0.000	0.000
435	A	510	VAL	0	0.001	-0.002	32.684	0.001	0.001	0.000	0.000	0.000	0.000
436	A	511	GLU	-1	-0.889	-0.911	32.202	0.149	0.149	0.000	0.000	0.000	0.000
437	A	512	SER	0	-0.028	-0.033	29.383	0.008	0.008	0.000	0.000	0.000	0.000
438	A	513	ILE	0	-0.030	-0.023	31.252	0.003	0.003	0.000	0.000	0.000	0.000
439	A	514	SER	0	-0.036	-0.024	33.000	-0.007	-0.007	0.000	0.000	0.000	0.000
440	A	515	GLU	-1	-0.931	-0.964	33.102	0.130	0.130	0.000	0.000	0.000	0.000
441	A	516	ASP	-1	-0.792	-0.873	27.281	0.181	0.181	0.000	0.000	0.000	0.000
442	A	517	PRO	0	-0.040	-0.044	28.439	-0.012	-0.012	0.000	0.000	0.000	0.000
443	A	518	VAL	0	-0.050	-0.024	26.663	-0.007	-0.007	0.000	0.000	0.000	0.000
444	A	519	LEU	0	0.053	0.022	30.085	-0.012	-0.012	0.000	0.000	0.000	0.000
445	A	520	ARG	1	0.879	0.964	32.191	-0.136	-0.136	0.000	0.000	0.000	0.000
446	A	521	ASN	0	-0.046	-0.043	35.336	0.003	0.003	0.000	0.000	0.000	0.000
447	A	522	THR	0	-0.009	0.023	34.956	-0.003	-0.003	0.000	0.000	0.000	0.000
448	A	523	LYS	1	0.809	0.871	37.272	-0.050	-0.050	0.000	0.000	0.000	0.000
449	A	524	MET	0	-0.011	0.014	34.764	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	525	ILE	0	0.010	0.005	40.231	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	526	ALA	0	0.017	0.009	41.910	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	527	GLU	-1	-0.789	-0.879	43.291	0.026	0.026	0.000	0.000	0.000	0.000
453	A	528	ALA	0	-0.025	-0.005	44.702	0.001	0.001	0.000	0.000	0.000	0.000
454	A	529	TRP	0	-0.034	-0.044	46.074	0.000	0.000	0.000	0.000	0.000	0.000
455	A	530	ASP	-1	-0.791	-0.884	44.217	0.039	0.039	0.000	0.000	0.000	0.000
456	A	531	CYS	0	-0.036	-0.029	45.921	-0.001	-0.001	0.000	0.000	0.000	0.000
457	A	532	ASP	-1	-0.886	-0.916	46.453	0.032	0.032	0.000	0.000	0.000	0.000
458	A	533	GLY	0	-0.027	-0.004	48.319	0.000	0.000	0.000	0.000	0.000	0.000
459	A	534	LEU	0	-0.059	-0.009	44.609	0.001	0.001	0.000	0.000	0.000	0.000
460	A	535	ASN	0	0.000	-0.020	48.690	0.000	0.000	0.000	0.000	0.000	0.000
461	A	536	GLN	0	0.047	0.021	43.559	0.001	0.001	0.000	0.000	0.000	0.000
462	A	537	VAL	0	0.027	0.013	48.528	0.002	0.002	0.000	0.000	0.000	0.000
463	A	538	GLY	0	-0.042	-0.035	50.279	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	539	ALA	0	-0.100	-0.052	48.694	0.002	0.002	0.000	0.000	0.000	0.000
465	A	540	PHE	0	0.061	0.033	39.982	0.002	0.002	0.000	0.000	0.000	0.000
466	A	541	PRO	0	0.015	-0.013	40.440	0.001	0.001	0.000	0.000	0.000	0.000
467	A	542	HIS	0	-0.010	0.020	41.191	0.005	0.005	0.000	0.000	0.000	0.000
468	A	543	TYR	0	-0.005	-0.051	37.694	-0.002	-0.002	0.000	0.000	0.000	0.000
469	A	544	GLY	0	-0.009	0.008	41.118	0.003	0.003	0.000	0.000	0.000	0.000
470	A	545	GLY	0	-0.048	-0.042	43.993	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	546	ARG	1	0.750	0.882	35.381	-0.098	-0.098	0.000	0.000	0.000	0.000
472	A	547	TRP	0	0.007	-0.001	36.906	-0.003	-0.003	0.000	0.000	0.000	0.000
473	A	548	SER	0	-0.034	-0.028	43.022	0.000	0.000	0.000	0.000	0.000	0.000
474	A	549	GLU	-1	-0.733	-0.842	44.866	0.052	0.052	0.000	0.000	0.000	0.000
475	A	550	TRP	0	0.026	0.019	46.819	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	551	ASN	0	-0.012	-0.010	49.181	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	552	GLY	0	0.051	0.009	52.438	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	553	LYS	1	0.813	0.898	54.157	-0.030	-0.030	0.000	0.000	0.000	0.000
479	A	554	PHE	0	-0.017	-0.008	56.326	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	555	ARG	1	0.892	0.936	54.757	-0.022	-0.022	0.000	0.000	0.000	0.000
481	A	556	ASP	-1	-0.786	-0.874	58.298	0.020	0.020	0.000	0.000	0.000	0.000
482	A	557	VAL	0	-0.032	-0.009	60.757	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	558	VAL	0	-0.026	-0.005	61.333	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	559	ARG	1	0.803	0.892	58.740	-0.016	-0.016	0.000	0.000	0.000	0.000
485	A	560	ASN	0	-0.010	-0.008	64.058	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	561	PHE	0	0.030	0.024	66.436	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	562	ILE	0	-0.007	-0.001	66.130	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	563	LYS	1	0.845	0.921	67.287	-0.015	-0.015	0.000	0.000	0.000	0.000
489	A	564	GLY	0	0.017	0.026	70.548	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	565	THR	0	-0.072	-0.051	69.637	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	566	ASP	-1	-0.793	-0.873	71.936	0.015	0.015	0.000	0.000	0.000	0.000
492	A	567	GLY	0	-0.002	0.004	70.774	0.000	0.000	0.000	0.000	0.000	0.000
493	A	568	PRO	0	0.044	0.011	67.421	0.000	0.000	0.000	0.000	0.000	0.000
494	A	569	TRP	0	-0.026	-0.021	63.877	0.002	0.002	0.000	0.000	0.000	0.000
495	A	570	ALA	0	0.053	0.043	67.518	0.001	0.001	0.000	0.000	0.000	0.000
496	A	571	GLY	0	0.055	0.019	68.272	0.001	0.001	0.000	0.000	0.000	0.000
497	A	572	ASP	-1	-0.798	-0.889	62.527	0.029	0.029	0.000	0.000	0.000	0.000
498	A	573	PHE	0	0.014	0.002	63.400	0.001	0.001	0.000	0.000	0.000	0.000
499	A	574	ALA	0	-0.001	0.002	64.407	0.001	0.001	0.000	0.000	0.000	0.000
500	A	575	SER	0	-0.024	-0.019	61.795	0.002	0.002	0.000	0.000	0.000	0.000
501	A	576	ALA	0	-0.001	-0.001	59.917	0.002	0.002	0.000	0.000	0.000	0.000
502	A	577	ILE	0	0.018	0.017	59.953	0.001	0.001	0.000	0.000	0.000	0.000
503	A	578	CYS	0	-0.076	-0.039	61.223	0.001	0.001	0.000	0.000	0.000	0.000
504	A	579	GLY	0	0.042	0.009	57.056	0.002	0.002	0.000	0.000	0.000	0.000
505	A	580	SER	0	-0.012	-0.007	56.000	0.001	0.001	0.000	0.000	0.000	0.000
506	A	581	PRO	0	0.044	0.026	56.616	0.002	0.002	0.000	0.000	0.000	0.000
507	A	582	ASN	0	-0.027	-0.030	57.911	0.002	0.002	0.000	0.000	0.000	0.000
508	A	583	ILE	0	-0.019	0.013	53.400	0.000	0.000	0.000	0.000	0.000	0.000
509	A	584	TYR	0	0.006	-0.021	49.706	0.001	0.001	0.000	0.000	0.000	0.000
510	A	585	ALA	0	-0.038	-0.004	53.067	0.002	0.002	0.000	0.000	0.000	0.000
511	A	586	ASN	0	-0.016	0.005	55.668	0.002	0.002	0.000	0.000	0.000	0.000
512	A	587	ASN	0	0.024	-0.009	54.743	0.002	0.002	0.000	0.000	0.000	0.000
513	A	588	THR	0	-0.053	-0.025	56.309	0.001	0.001	0.000	0.000	0.000	0.000
514	A	589	PRO	0	0.002	0.014	55.254	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	590	HIS	0	0.029	0.008	57.365	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	591	GLU	-1	-0.921	-0.959	58.312	0.036	0.036	0.000	0.000	0.000	0.000
517	A	592	THR	0	-0.006	-0.014	58.489	0.000	0.000	0.000	0.000	0.000	0.000
518	A	593	ASP	-1	-0.876	-0.923	53.110	0.043	0.043	0.000	0.000	0.000	0.000
519	A	594	TRP	0	0.036	0.016	45.935	0.001	0.001	0.000	0.000	0.000	0.000
520	A	595	TRP	0	0.057	0.050	43.559	0.002	0.002	0.000	0.000	0.000	0.000
521	A	596	ALA	0	-0.009	-0.006	49.923	0.003	0.003	0.000	0.000	0.000	0.000
522	A	597	ASN	0	-0.052	-0.041	52.109	0.002	0.002	0.000	0.000	0.000	0.000
523	A	598	ASN	0	-0.076	-0.051	48.789	0.003	0.003	0.000	0.000	0.000	0.000
524	A	599	GLY	0	0.044	0.022	45.719	0.002	0.002	0.000	0.000	0.000	0.000
525	A	600	GLY	0	0.059	0.026	45.843	0.003	0.003	0.000	0.000	0.000	0.000
526	A	601	ARG	1	0.832	0.912	48.082	-0.054	-0.054	0.000	0.000	0.000	0.000
527	A	602	GLN	0	-0.080	-0.041	42.277	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	603	TRP	0	-0.020	-0.002	41.133	0.002	0.002	0.000	0.000	0.000	0.000
529	A	604	LYS	1	0.790	0.887	47.530	-0.050	-0.050	0.000	0.000	0.000	0.000
530	A	605	GLY	0	0.041	0.040	50.546	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	606	GLY	0	-0.028	-0.016	49.363	0.003	0.003	0.000	0.000	0.000	0.000
532	A	607	ARG	1	0.795	0.888	46.558	-0.056	-0.056	0.000	0.000	0.000	0.000
533	A	608	GLY	0	0.031	0.014	50.293	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	609	PRO	0	-0.021	-0.001	52.023	0.000	0.000	0.000	0.000	0.000	0.000
535	A	610	HIS	0	0.031	0.021	47.789	-0.004	-0.004	0.000	0.000	0.000	0.000
536	A	611	ALA	0	0.008	0.022	48.392	0.001	0.001	0.000	0.000	0.000	0.000
537	A	612	SER	0	-0.001	-0.002	49.223	0.000	0.000	0.000	0.000	0.000	0.000
538	A	613	ILE	0	0.013	0.007	47.203	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	614	ASN	0	-0.013	0.004	50.824	0.000	0.000	0.000	0.000	0.000	0.000
540	A	615	PHE	0	0.069	0.025	52.404	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	616	VAL	0	0.009	-0.007	54.982	0.000	0.000	0.000	0.000	0.000	0.000
542	A	617	ALA	0	0.001	-0.011	56.313	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	618	ALA	0	0.033	0.031	51.315	0.002	0.002	0.000	0.000	0.000	0.000
544	A	619	HIS	1	0.916	0.945	47.705	-0.017	-0.017	0.000	0.000	0.000	0.000
545	A	620	ASP	-1	-0.962	-0.964	50.661	0.013	0.013	0.000	0.000	0.000	0.000
546	A	621	GLY	0	0.062	0.020	52.867	0.001	0.001	0.000	0.000	0.000	0.000
547	A	622	PHE	0	-0.092	-0.053	56.562	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	623	THR	0	0.047	0.003	57.763	0.001	0.001	0.000	0.000	0.000	0.000
549	A	624	LEU	0	0.011	-0.023	59.476	0.000	0.000	0.000	0.000	0.000	0.000
550	A	625	ALA	0	0.011	0.009	61.672	0.000	0.000	0.000	0.000	0.000	0.000
551	A	626	ASP	-1	-0.764	-0.851	62.015	0.003	0.003	0.000	0.000	0.000	0.000
552	A	627	MET	0	-0.075	-0.025	61.370	0.000	0.000	0.000	0.000	0.000	0.000
553	A	628	VAL	0	-0.013	-0.009	64.468	0.001	0.001	0.000	0.000	0.000	0.000
554	A	629	ALA	0	-0.032	-0.019	67.227	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	630	TYR	0	0.025	0.016	65.408	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	631	ASN	0	0.003	0.002	67.094	0.002	0.002	0.000	0.000	0.000	0.000
557	A	632	ASN	0	-0.077	-0.037	65.594	0.000	0.000	0.000	0.000	0.000	0.000
558	A	633	LYS	1	0.844	0.939	59.383	-0.006	-0.006	0.000	0.000	0.000	0.000
559	A	634	HIS	1	0.788	0.886	62.670	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	635	ASN	0	0.077	0.029	57.762	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	636	GLU	-1	-0.860	-0.921	60.143	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	637	ALA	0	0.007	0.000	60.549	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	638	ASN	0	0.033	0.020	55.903	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	639	GLY	0	0.006	0.017	56.543	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	640	GLU	-1	-0.894	-0.945	54.131	-0.005	-0.005	0.000	0.000	0.000	0.000
566	A	641	ASN	0	-0.058	-0.051	58.173	0.001	0.001	0.000	0.000	0.000	0.000
567	A	642	ASN	0	0.030	0.013	60.974	0.001	0.001	0.000	0.000	0.000	0.000
568	A	643	ARG	1	0.938	0.982	57.404	0.004	0.004	0.000	0.000	0.000	0.000
569	A	644	ASP	-1	-0.774	-0.857	55.060	0.002	0.002	0.000	0.000	0.000	0.000
570	A	645	GLY	0	0.070	0.029	55.230	0.000	0.000	0.000	0.000	0.000	0.000
571	A	646	GLU	-1	-0.824	-0.890	56.332	0.015	0.015	0.000	0.000	0.000	0.000
572	A	647	GLN	0	0.026	0.007	57.779	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	648	HIS	0	-0.019	-0.020	60.516	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	649	ASN	0	-0.010	-0.003	60.499	0.001	0.001	0.000	0.000	0.000	0.000
575	A	650	ASN	0	-0.018	0.003	61.039	0.000	0.000	0.000	0.000	0.000	0.000
576	A	651	SER	0	0.003	0.005	64.291	0.001	0.001	0.000	0.000	0.000	0.000
577	A	652	TRP	0	0.014	-0.008	65.920	0.000	0.000	0.000	0.000	0.000	0.000
578	A	653	ASN	0	-0.034	-0.012	69.572	0.000	0.000	0.000	0.000	0.000	0.000
579	A	654	CYS	0	-0.024	-0.010	70.914	0.000	0.000	0.000	0.000	0.000	0.000
580	A	655	GLY	0	0.022	0.005	73.614	0.000	0.000	0.000	0.000	0.000	0.000
581	A	656	GLU	-1	-0.837	-0.885	74.677	0.002	0.002	0.000	0.000	0.000	0.000
582	A	657	GLU	-1	-0.757	-0.856	69.044	0.005	0.005	0.000	0.000	0.000	0.000
583	A	658	GLY	0	0.065	0.046	69.761	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	659	PRO	0	-0.006	-0.013	69.440	0.001	0.001	0.000	0.000	0.000	0.000
585	A	660	THR	0	-0.016	-0.029	72.244	0.000	0.000	0.000	0.000	0.000	0.000
586	A	661	THR	0	0.001	-0.002	76.047	0.000	0.000	0.000	0.000	0.000	0.000
587	A	662	LYS	1	0.848	0.919	78.481	-0.003	-0.003	0.000	0.000	0.000	0.000
588	A	663	TRP	0	0.042	0.019	78.313	0.000	0.000	0.000	0.000	0.000	0.000
589	A	664	GLU	-1	-0.898	-0.978	78.880	0.005	0.005	0.000	0.000	0.000	0.000
590	A	665	VAL	0	0.034	0.032	74.644	0.001	0.001	0.000	0.000	0.000	0.000
591	A	666	ASN	0	-0.007	-0.012	74.129	0.001	0.001	0.000	0.000	0.000	0.000
592	A	667	ARG	1	0.918	0.967	74.173	-0.005	-0.005	0.000	0.000	0.000	0.000
593	A	668	LEU	0	-0.065	-0.013	73.894	0.001	0.001	0.000	0.000	0.000	0.000
594	A	669	ARG	1	0.833	0.904	70.439	-0.004	-0.004	0.000	0.000	0.000	0.000
595	A	670	GLN	0	-0.005	-0.003	70.053	0.001	0.001	0.000	0.000	0.000	0.000
596	A	671	ARG	1	0.814	0.919	70.680	-0.009	-0.009	0.000	0.000	0.000	0.000
597	A	672	GLN	0	0.027	0.007	69.125	0.001	0.001	0.000	0.000	0.000	0.000
598	A	673	MET	0	0.003	0.016	64.992	0.001	0.001	0.000	0.000	0.000	0.000
599	A	674	ARG	1	0.742	0.864	65.302	-0.009	-0.009	0.000	0.000	0.000	0.000
600	A	675	ASN	0	0.001	-0.017	66.448	0.001	0.001	0.000	0.000	0.000	0.000
601	A	676	LEU	0	0.006	0.003	63.308	0.001	0.001	0.000	0.000	0.000	0.000
602	A	677	THR	0	0.020	-0.002	61.047	0.001	0.001	0.000	0.000	0.000	0.000
603	A	678	GLY	0	0.005	-0.002	62.202	0.001	0.001	0.000	0.000	0.000	0.000
604	A	679	ALA	0	0.006	-0.006	63.585	0.001	0.001	0.000	0.000	0.000	0.000
605	A	680	LEU	0	-0.041	0.005	56.022	0.002	0.002	0.000	0.000	0.000	0.000
606	A	681	LEU	0	0.005	-0.003	57.472	0.002	0.002	0.000	0.000	0.000	0.000
607	A	682	LEU	0	-0.029	-0.018	60.006	0.001	0.001	0.000	0.000	0.000	0.000
608	A	683	SER	0	-0.005	0.004	59.238	0.000	0.000	0.000	0.000	0.000	0.000
609	A	684	CYS	0	-0.052	-0.019	57.781	0.001	0.001	0.000	0.000	0.000	0.000
610	A	685	GLY	0	0.041	0.030	53.745	0.000	0.000	0.000	0.000	0.000	0.000
611	A	686	VAL	0	-0.010	-0.013	49.204	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	687	PRO	0	-0.046	-0.012	52.442	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	688	MET	0	0.020	0.017	49.485	0.001	0.001	0.000	0.000	0.000	0.000
614	A	689	ILE	0	-0.052	-0.026	52.562	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	690	ASN	0	0.002	-0.005	52.437	0.000	0.000	0.000	0.000	0.000	0.000
616	A	691	MET	0	-0.015	0.010	49.706	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	692	GLY	0	0.033	0.015	53.592	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	693	ASP	-1	-0.794	-0.895	56.937	0.011	0.011	0.000	0.000	0.000	0.000
619	A	694	GLU	-1	-0.776	-0.858	56.389	0.009	0.009	0.000	0.000	0.000	0.000
620	A	695	TYR	0	0.005	0.001	57.765	0.000	0.000	0.000	0.000	0.000	0.000
621	A	696	GLY	0	-0.044	-0.025	61.611	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	697	HIS	0	0.004	0.020	57.249	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	698	SER	0	-0.051	-0.037	60.991	0.001	0.001	0.000	0.000	0.000	0.000
624	A	699	LYS	1	0.843	0.923	54.732	-0.008	-0.008	0.000	0.000	0.000	0.000
625	A	700	ASN	0	-0.070	-0.046	60.235	0.000	0.000	0.000	0.000	0.000	0.000
626	A	701	GLY	0	0.029	0.016	62.905	0.000	0.000	0.000	0.000	0.000	0.000
627	A	702	ASN	0	-0.001	-0.013	57.587	0.002	0.002	0.000	0.000	0.000	0.000
628	A	703	ASN	0	-0.078	-0.058	58.176	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	704	ASN	0	-0.005	-0.026	52.783	0.003	0.003	0.000	0.000	0.000	0.000
630	A	705	THR	0	0.009	0.002	54.014	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	706	TYR	0	0.023	-0.006	48.601	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	707	CYS	0	-0.008	0.004	49.171	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	708	HIS	0	-0.034	-0.014	50.890	-0.003	-0.003	0.000	0.000	0.000	0.000
634	A	709	ASP	-1	-0.738	-0.806	49.730	-0.016	-0.016	0.000	0.000	0.000	0.000
635	A	710	SER	0	0.014	-0.002	51.643	-0.001	-0.001	0.000	0.000	0.000	0.000
636	A	711	GLU	-1	-0.798	-0.893	54.791	-0.006	-0.006	0.000	0.000	0.000	0.000
637	A	712	LEU	0	-0.006	0.005	56.531	0.001	0.001	0.000	0.000	0.000	0.000
638	A	713	ASN	0	-0.057	-0.020	51.841	0.004	0.004	0.000	0.000	0.000	0.000
639	A	714	TYR	0	-0.072	-0.062	51.431	0.000	0.000	0.000	0.000	0.000	0.000
640	A	715	LEU	0	0.003	0.002	53.516	0.001	0.001	0.000	0.000	0.000	0.000
641	A	716	ARG	1	0.742	0.839	55.493	0.003	0.003	0.000	0.000	0.000	0.000
642	A	717	TRP	0	0.032	-0.011	53.160	0.002	0.002	0.000	0.000	0.000	0.000
643	A	718	ASP	-1	-0.795	-0.876	59.388	-0.004	-0.004	0.000	0.000	0.000	0.000
644	A	719	GLN	0	0.012	-0.006	62.603	0.001	0.001	0.000	0.000	0.000	0.000
645	A	720	LEU	0	-0.063	-0.018	58.380	0.001	0.001	0.000	0.000	0.000	0.000
646	A	721	ALA	0	-0.039	-0.023	62.407	0.001	0.001	0.000	0.000	0.000	0.000
647	A	722	GLU	-1	-0.975	-0.976	64.394	0.000	0.000	0.000	0.000	0.000	0.000
648	A	723	ASP	-1	-0.793	-0.890	65.812	0.007	0.007	0.000	0.000	0.000	0.000
649	A	724	PRO	0	0.044	0.027	67.347	0.001	0.001	0.000	0.000	0.000	0.000
650	A	725	HIS	0	-0.036	-0.025	68.070	0.001	0.001	0.000	0.000	0.000	0.000
651	A	726	GLY	0	0.013	0.017	69.165	0.001	0.001	0.000	0.000	0.000	0.000
652	A	727	PHE	0	-0.038	-0.018	63.207	0.001	0.001	0.000	0.000	0.000	0.000
653	A	728	ASN	0	0.057	0.008	60.171	0.001	0.001	0.000	0.000	0.000	0.000
654	A	729	ARG	1	0.747	0.844	63.323	-0.010	-0.010	0.000	0.000	0.000	0.000
655	A	730	PHE	0	-0.006	-0.006	65.187	0.001	0.001	0.000	0.000	0.000	0.000
656	A	731	VAL	0	0.030	0.012	59.896	0.001	0.001	0.000	0.000	0.000	0.000
657	A	732	ARG	1	0.919	0.978	60.354	-0.009	-0.009	0.000	0.000	0.000	0.000
658	A	733	LEU	0	-0.023	-0.001	61.219	0.001	0.001	0.000	0.000	0.000	0.000
659	A	734	LEU	0	-0.005	-0.001	62.435	0.001	0.001	0.000	0.000	0.000	0.000
660	A	735	ILE	0	0.007	0.014	56.492	0.002	0.002	0.000	0.000	0.000	0.000
661	A	736	HIS	0	-0.068	-0.037	58.683	0.002	0.002	0.000	0.000	0.000	0.000
662	A	737	PHE	0	-0.025	-0.017	60.316	0.001	0.001	0.000	0.000	0.000	0.000
663	A	738	ARG	1	0.861	0.941	54.951	-0.030	-0.030	0.000	0.000	0.000	0.000
664	A	739	ARG	1	0.940	0.968	52.429	-0.027	-0.027	0.000	0.000	0.000	0.000
665	A	740	ALA	0	-0.044	-0.006	57.894	0.001	0.001	0.000	0.000	0.000	0.000
666	A	741	THR	0	-0.044	-0.031	60.493	0.000	0.000	0.000	0.000	0.000	0.000
667	A	742	PRO	0	0.003	-0.006	58.687	0.001	0.001	0.000	0.000	0.000	0.000
668	A	743	ALA	0	-0.011	0.001	59.074	0.001	0.001	0.000	0.000	0.000	0.000
669	A	744	LEU	0	-0.022	-0.006	59.635	0.000	0.000	0.000	0.000	0.000	0.000
670	A	745	GLN	0	-0.083	-0.047	55.075	0.001	0.001	0.000	0.000	0.000	0.000
671	A	746	ARG	1	0.788	0.864	55.478	-0.038	-0.038	0.000	0.000	0.000	0.000
672	A	747	THR	0	0.062	0.015	49.784	0.000	0.000	0.000	0.000	0.000	0.000
673	A	748	THR	0	-0.046	-0.028	52.726	0.001	0.001	0.000	0.000	0.000	0.000
674	A	749	PHE	0	0.041	0.019	54.677	-0.002	-0.002	0.000	0.000	0.000	0.000
675	A	750	VAL	0	-0.011	0.014	58.439	0.000	0.000	0.000	0.000	0.000	0.000
676	A	751	ASN	0	0.020	0.001	62.036	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	752	ASP	-1	-0.760	-0.871	64.927	0.031	0.031	0.000	0.000	0.000	0.000
678	A	753	LYS	1	0.795	0.889	67.345	-0.034	-0.034	0.000	0.000	0.000	0.000
679	A	754	ASP	-1	-0.796	-0.864	63.352	0.036	0.036	0.000	0.000	0.000	0.000
680	A	755	ILE	0	-0.009	-0.011	65.256	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	756	GLN	0	-0.038	-0.012	67.990	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	757	TRP	0	0.051	0.019	66.179	-0.001	-0.001	0.000	0.000	0.000	0.000
683	A	758	HIS	0	-0.001	-0.008	72.678	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	759	GLY	0	0.081	0.033	75.312	0.000	0.000	0.000	0.000	0.000	0.000
685	A	760	GLU	-1	-0.865	-0.929	77.996	0.015	0.015	0.000	0.000	0.000	0.000
686	A	761	LEU	0	0.017	0.023	80.885	0.000	0.000	0.000	0.000	0.000	0.000
687	A	762	PRO	0	0.032	0.004	79.062	0.001	0.001	0.000	0.000	0.000	0.000
688	A	763	ASN	0	-0.055	-0.038	76.837	0.000	0.000	0.000	0.000	0.000	0.000
689	A	764	THR	0	-0.053	-0.019	77.916	0.000	0.000	0.000	0.000	0.000	0.000
690	A	765	PRO	0	-0.024	0.004	74.073	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	766	ASP	-1	-0.799	-0.885	75.682	0.018	0.018	0.000	0.000	0.000	0.000
692	A	767	TRP	0	-0.035	-0.022	70.332	0.000	0.000	0.000	0.000	0.000	0.000
693	A	768	THR	0	-0.040	-0.038	73.574	0.000	0.000	0.000	0.000	0.000	0.000
694	A	769	ASP	-1	-0.883	-0.943	73.367	0.020	0.020	0.000	0.000	0.000	0.000
695	A	770	THR	0	0.006	-0.008	74.877	0.000	0.000	0.000	0.000	0.000	0.000
696	A	771	SER	0	-0.073	-0.019	74.079	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	772	ARG	1	0.760	0.844	74.772	-0.015	-0.015	0.000	0.000	0.000	0.000
698	A	773	LEU	0	-0.047	-0.019	74.642	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	774	VAL	0	0.006	0.031	68.932	0.001	0.001	0.000	0.000	0.000	0.000
700	A	775	ALA	0	0.013	-0.002	71.969	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	776	PHE	0	0.014	-0.002	66.096	0.001	0.001	0.000	0.000	0.000	0.000
702	A	777	THR	0	-0.033	-0.006	71.316	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	778	LEU	0	-0.005	-0.003	63.614	0.001	0.001	0.000	0.000	0.000	0.000
704	A	779	HIS	0	-0.026	-0.016	67.651	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	780	ASP	-1	-0.749	-0.882	65.715	0.028	0.028	0.000	0.000	0.000	0.000
706	A	781	GLY	0	-0.007	0.011	65.587	0.001	0.001	0.000	0.000	0.000	0.000
707	A	782	LYS	1	0.809	0.872	64.773	-0.031	-0.031	0.000	0.000	0.000	0.000
708	A	783	GLY	0	-0.012	0.011	68.945	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	784	GLY	0	-0.028	-0.026	70.862	-0.001	-0.001	0.000	0.000	0.000	0.000
710	A	785	GLY	0	0.040	0.020	68.947	0.001	0.001	0.000	0.000	0.000	0.000
711	A	786	LEU	0	-0.039	-0.016	66.166	-0.001	-0.001	0.000	0.000	0.000	0.000
712	A	787	TYR	0	0.045	0.018	70.396	0.001	0.001	0.000	0.000	0.000	0.000
713	A	788	VAL	0	-0.008	0.000	67.740	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	789	ALA	0	-0.005	-0.001	71.029	0.000	0.000	0.000	0.000	0.000	0.000
715	A	790	PHE	0	0.038	0.015	66.250	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	791	ASN	0	-0.005	-0.012	72.024	0.001	0.001	0.000	0.000	0.000	0.000
717	A	792	THR	0	0.009	0.007	70.757	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	793	SER	0	0.021	0.030	73.998	0.000	0.000	0.000	0.000	0.000	0.000
719	A	794	HIS	0	0.055	0.022	77.659	0.000	0.000	0.000	0.000	0.000	0.000
720	A	795	LEU	0	-0.047	-0.033	79.656	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	796	PRO	0	-0.014	-0.011	80.774	0.000	0.000	0.000	0.000	0.000	0.000
722	A	797	LYS	1	0.831	0.909	78.940	-0.015	-0.015	0.000	0.000	0.000	0.000
723	A	798	LEU	0	-0.016	-0.014	82.489	0.000	0.000	0.000	0.000	0.000	0.000
724	A	799	LEU	0	0.002	0.009	77.229	0.000	0.000	0.000	0.000	0.000	0.000
725	A	800	GLN	0	0.024	0.015	81.381	0.000	0.000	0.000	0.000	0.000	0.000
726	A	801	LEU	0	-0.025	-0.011	77.780	0.001	0.001	0.000	0.000	0.000	0.000
727	A	802	PRO	0	0.027	0.015	76.331	0.000	0.000	0.000	0.000	0.000	0.000
728	A	803	LYS	1	0.822	0.915	79.595	-0.018	-0.018	0.000	0.000	0.000	0.000
729	A	804	TRP	0	0.000	-0.005	71.979	0.001	0.001	0.000	0.000	0.000	0.000
730	A	805	GLY	0	0.025	0.001	79.678	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	806	GLY	0	0.030	0.012	80.382	0.001	0.001	0.000	0.000	0.000	0.000
732	A	807	ARG	1	0.845	0.916	73.223	-0.023	-0.023	0.000	0.000	0.000	0.000
733	A	808	VAL	0	0.019	0.018	79.429	0.000	0.000	0.000	0.000	0.000	0.000
734	A	809	TRP	0	-0.036	-0.017	73.131	0.000	0.000	0.000	0.000	0.000	0.000
735	A	810	GLN	0	0.009	-0.008	75.769	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	811	PRO	0	0.030	0.025	75.109	0.001	0.001	0.000	0.000	0.000	0.000
737	A	812	LEU	0	-0.074	-0.015	68.030	0.000	0.000	0.000	0.000	0.000	0.000
738	A	813	VAL	0	0.020	0.015	68.197	-0.001	-0.001	0.000	0.000	0.000	0.000
739	A	814	ASP	-1	-0.735	-0.833	71.636	0.013	0.013	0.000	0.000	0.000	0.000
740	A	815	THR	0	0.006	-0.007	70.288	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	816	SER	0	-0.051	-0.043	73.338	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	817	LYS	1	0.779	0.894	76.046	-0.012	-0.012	0.000	0.000	0.000	0.000
743	A	818	VAL	0	0.022	0.010	75.434	0.000	0.000	0.000	0.000	0.000	0.000
744	A	819	ALA	0	0.015	0.030	72.005	0.000	0.000	0.000	0.000	0.000	0.000
745	A	820	PRO	0	-0.005	-0.009	72.567	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	821	TYR	0	0.000	-0.028	73.284	0.001	0.001	0.000	0.000	0.000	0.000
747	A	822	ASP	-1	-0.790	-0.877	70.728	0.011	0.011	0.000	0.000	0.000	0.000
748	A	823	PHE	0	0.036	0.003	66.103	0.001	0.001	0.000	0.000	0.000	0.000
749	A	824	LEU	0	-0.003	0.020	71.118	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	825	ALA	0	-0.010	-0.019	68.522	0.001	0.001	0.000	0.000	0.000	0.000
751	A	826	VAL	0	-0.023	-0.013	70.028	-0.001	-0.001	0.000	0.000	0.000	0.000
752	A	827	ASP	-1	-0.770	-0.874	67.197	0.010	0.010	0.000	0.000	0.000	0.000
753	A	828	GLY	0	-0.027	-0.011	68.170	0.000	0.000	0.000	0.000	0.000	0.000
754	A	829	VAL	0	-0.049	-0.017	69.831	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	830	LEU	0	-0.052	-0.009	72.246	0.000	0.000	0.000	0.000	0.000	0.000
756	A	831	SER	0	0.027	-0.015	72.823	0.001	0.001	0.000	0.000	0.000	0.000
757	A	832	ALA	0	0.036	-0.001	74.117	0.000	0.000	0.000	0.000	0.000	0.000
758	A	833	GLU	-1	-0.900	-0.962	75.417	0.011	0.011	0.000	0.000	0.000	0.000
759	A	834	ASP	-1	-0.804	-0.857	77.003	0.009	0.009	0.000	0.000	0.000	0.000
760	A	835	VAL	0	0.012	0.012	73.249	0.000	0.000	0.000	0.000	0.000	0.000
761	A	836	ALA	0	-0.004	-0.004	76.667	0.000	0.000	0.000	0.000	0.000	0.000
762	A	837	ALA	0	-0.029	-0.018	79.254	0.000	0.000	0.000	0.000	0.000	0.000
763	A	838	ALA	0	0.014	0.002	78.430	0.000	0.000	0.000	0.000	0.000	0.000
764	A	839	ARG	1	0.825	0.894	72.561	-0.016	-0.016	0.000	0.000	0.000	0.000
765	A	840	ARG	1	0.848	0.924	80.073	-0.012	-0.012	0.000	0.000	0.000	0.000
766	A	841	GLN	0	-0.044	-0.015	82.966	0.000	0.000	0.000	0.000	0.000	0.000
767	A	842	MET	0	-0.032	-0.007	80.992	0.000	0.000	0.000	0.000	0.000	0.000
768	A	843	ALA	0	0.024	0.020	83.811	0.000	0.000	0.000	0.000	0.000	0.000
769	A	844	MET	0	-0.010	-0.003	85.145	0.000	0.000	0.000	0.000	0.000	0.000
770	A	845	TRP	0	0.049	0.025	84.445	0.000	0.000	0.000	0.000	0.000	0.000
771	A	846	THR	0	-0.010	-0.009	80.556	0.000	0.000	0.000	0.000	0.000	0.000
772	A	847	ALA	0	-0.015	0.003	83.218	0.001	0.001	0.000	0.000	0.000	0.000
773	A	848	ASP	-1	-0.913	-0.954	85.949	0.014	0.014	0.000	0.000	0.000	0.000
774	A	849	HIS	0	-0.102	-0.059	80.381	0.000	0.000	0.000	0.000	0.000	0.000
775	A	850	THR	0	-0.023	-0.008	83.333	0.000	0.000	0.000	0.000	0.000	0.000
776	A	851	TYR	0	-0.020	-0.053	78.476	-0.001	-0.001	0.000	0.000	0.000	0.000
777	A	852	PRO	0	-0.036	0.001	81.704	0.000	0.000	0.000	0.000	0.000	0.000
778	A	853	VAL	0	-0.009	-0.003	77.377	0.000	0.000	0.000	0.000	0.000	0.000
779	A	854	LEU	0	0.036	0.016	78.296	0.000	0.000	0.000	0.000	0.000	0.000
780	A	855	PRO	0	0.002	0.031	78.315	0.001	0.001	0.000	0.000	0.000	0.000
781	A	856	TRP	0	0.028	0.014	73.249	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	857	SER	0	-0.069	-0.037	73.639	0.000	0.000	0.000	0.000	0.000	0.000
783	A	858	CYS	0	-0.008	-0.005	69.593	0.001	0.001	0.000	0.000	0.000	0.000
784	A	859	ILE	0	-0.021	0.002	72.142	-0.001	-0.001	0.000	0.000	0.000	0.000
785	A	860	VAL	0	0.026	0.009	67.946	0.001	0.001	0.000	0.000	0.000	0.000
786	A	861	LEU	0	0.004	0.003	71.326	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	862	GLN	0	0.085	0.041	68.870	0.000	0.000	0.000	0.000	0.000	0.000
788	A	863	SER	0	0.019	0.020	72.704	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	864	ALA	0	-0.006	0.013	74.079	0.001	0.001	0.000	0.000	0.000	0.000
790	A	865	PRO	0	0.013	-0.013	75.919	0.000	0.000	0.000	0.000	0.000	0.000
791	A	866	GLU	-1	-0.911	-0.934	78.987	0.017	0.017	0.000	0.000	0.000	0.000
792	A	867	ASP	-1	-0.837	-0.923	82.617	0.015	0.015	0.000	0.000	0.000	0.000
793	A	868	PRO	0	0.010	-0.002	84.811	0.000	0.000	0.000	0.000	0.000	0.000
794	A	869	ALA	0	0.008	0.013	87.293	-0.001	-0.001	0.000	0.000	0.000	0.000
795	A	870	ALA	0	0.022	0.024	84.470	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	871	THR	0	-0.026	-0.019	86.246	-0.001	-0.001	0.000	0.000	0.000	0.000
797	A	872	SER	0	-0.069	-0.036	89.246	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	873	MET	0	0.029	0.011	89.982	0.000	0.000	0.000	0.000	0.000	0.000
799	A	874	ILE	0	-0.006	-0.006	85.531	0.000	0.000	0.000	0.000	0.000	0.000
800	A	875	LYS	1	0.879	0.940	82.057	-0.010	-0.010	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:76:LEU)