FMO DATABASE

FMODB ID: L7ZL9

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	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

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

Total energy (hartree)

FMO2-HF: Electronic energy	-21244937.508324
FMO2-HF: Nuclear repulsion	20931579.169305
FMO2-HF: Total energy	-313358.339019
FMO2-MP2: Total energy	-314269.495338

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.
-25.082	-19.847	10.416	-7.209	-8.441	-0.057

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 : 0.032 / 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	0.001	0.004	3.175	-2.403	0.780	0.279	-1.473	-1.990	0.006
4	A	79	GLU	-1	-0.890	-0.938	1.921	-22.367	-20.849	10.113	-5.587	-6.043	-0.063
5	A	80	PRO	0	-0.006	-0.021	4.640	0.066	0.110	-0.001	-0.013	-0.029	0.000
6	A	81	SER	0	0.000	-0.009	7.339	-0.333	-0.333	0.000	0.000	0.000	0.000
7	A	82	GLY	0	-0.004	0.007	8.506	0.286	0.286	0.000	0.000	0.000	0.000
8	A	83	GLN	0	-0.050	-0.017	11.559	0.019	0.019	0.000	0.000	0.000	0.000
9	A	84	PRO	0	-0.009	-0.007	14.479	-0.061	-0.061	0.000	0.000	0.000	0.000
10	A	85	ALA	0	-0.005	0.003	17.092	-0.002	-0.002	0.000	0.000	0.000	0.000
11	A	86	SER	0	-0.006	-0.003	18.471	0.056	0.056	0.000	0.000	0.000	0.000
12	A	87	THR	0	-0.045	-0.044	21.748	-0.003	-0.003	0.000	0.000	0.000	0.000
13	A	88	ALA	0	-0.053	-0.023	23.055	0.025	0.025	0.000	0.000	0.000	0.000
14	A	89	TYR	0	0.082	0.043	17.566	0.041	0.041	0.000	0.000	0.000	0.000
15	A	90	GLY	0	0.035	0.025	16.039	0.008	0.008	0.000	0.000	0.000	0.000
16	A	91	PRO	0	-0.028	-0.032	12.775	0.015	0.015	0.000	0.000	0.000	0.000
17	A	92	ALA	0	0.017	0.025	12.036	-0.060	-0.060	0.000	0.000	0.000	0.000
18	A	93	LEU	0	-0.056	-0.021	7.404	-0.222	-0.222	0.000	0.000	0.000	0.000
19	A	94	THR	0	0.020	0.017	2.996	0.130	0.620	0.025	-0.136	-0.379	0.000
20	A	95	GLY	0	0.013	0.011	5.815	0.900	0.900	0.000	0.000	0.000	0.000
21	A	96	ARG	1	0.807	0.868	5.989	-0.282	-0.282	0.000	0.000	0.000	0.000
22	A	97	PRO	0	0.031	0.021	8.098	-0.111	-0.111	0.000	0.000	0.000	0.000
23	A	98	ALA	0	-0.008	0.053	10.768	-0.079	-0.079	0.000	0.000	0.000	0.000
24	A	99	PRO	0	-0.026	-0.029	11.639	0.040	0.040	0.000	0.000	0.000	0.000
25	A	100	LEU	0	0.005	-0.007	15.010	-0.046	-0.046	0.000	0.000	0.000	0.000
26	A	101	GLY	0	0.041	0.023	17.111	0.008	0.008	0.000	0.000	0.000	0.000
27	A	102	ALA	0	-0.018	-0.004	16.564	-0.032	-0.032	0.000	0.000	0.000	0.000
28	A	103	SER	0	-0.028	-0.030	14.973	0.044	0.044	0.000	0.000	0.000	0.000
29	A	104	ILE	0	-0.040	-0.010	15.475	-0.055	-0.055	0.000	0.000	0.000	0.000
30	A	105	ASP	-1	-0.765	-0.845	10.169	-0.045	-0.045	0.000	0.000	0.000	0.000
31	A	106	ALA	0	-0.051	-0.035	13.260	-0.029	-0.029	0.000	0.000	0.000	0.000
32	A	107	ASP	-1	-0.942	-0.970	10.247	0.015	0.015	0.000	0.000	0.000	0.000
33	A	108	THR	0	-0.042	-0.049	9.902	-0.078	-0.078	0.000	0.000	0.000	0.000
34	A	109	GLY	0	0.003	0.011	12.968	-0.013	-0.013	0.000	0.000	0.000	0.000
35	A	110	ALA	0	-0.044	-0.012	12.323	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	111	ILE	0	-0.012	-0.011	14.473	0.088	0.088	0.000	0.000	0.000	0.000
37	A	112	ASN	0	0.021	0.007	10.356	-0.292	-0.292	0.000	0.000	0.000	0.000
38	A	113	PHE	0	-0.005	-0.008	12.998	0.116	0.116	0.000	0.000	0.000	0.000
39	A	114	SER	0	-0.037	-0.042	12.975	-0.074	-0.074	0.000	0.000	0.000	0.000
40	A	115	VAL	0	0.037	0.022	14.632	0.041	0.041	0.000	0.000	0.000	0.000
41	A	116	PHE	0	0.007	-0.001	16.458	-0.003	-0.003	0.000	0.000	0.000	0.000
42	A	117	SER	0	-0.043	-0.062	18.059	-0.026	-0.026	0.000	0.000	0.000	0.000
43	A	118	SER	0	-0.061	-0.042	18.526	-0.003	-0.003	0.000	0.000	0.000	0.000
44	A	119	SER	0	-0.062	-0.054	20.414	-0.008	-0.008	0.000	0.000	0.000	0.000
45	A	120	ALA	0	-0.025	0.013	19.651	-0.012	-0.012	0.000	0.000	0.000	0.000
46	A	121	GLU	-1	-0.833	-0.916	19.750	-0.078	-0.078	0.000	0.000	0.000	0.000
47	A	122	SER	0	-0.069	-0.051	18.351	-0.051	-0.051	0.000	0.000	0.000	0.000
48	A	123	VAL	0	0.020	0.030	16.575	0.034	0.034	0.000	0.000	0.000	0.000
49	A	124	SER	0	0.016	0.009	17.190	-0.072	-0.072	0.000	0.000	0.000	0.000
50	A	125	LEU	0	-0.003	0.020	16.087	0.051	0.051	0.000	0.000	0.000	0.000
51	A	126	VAL	0	-0.025	-0.012	18.662	-0.022	-0.022	0.000	0.000	0.000	0.000
52	A	127	LEU	0	0.011	0.001	19.515	0.014	0.014	0.000	0.000	0.000	0.000
53	A	128	PHE	0	0.019	0.002	23.535	0.004	0.004	0.000	0.000	0.000	0.000
54	A	129	THR	0	0.063	0.026	27.207	0.007	0.007	0.000	0.000	0.000	0.000
55	A	130	GLU	-1	-0.779	-0.888	29.793	-0.089	-0.089	0.000	0.000	0.000	0.000
56	A	131	ALA	0	-0.017	0.001	32.642	0.008	0.008	0.000	0.000	0.000	0.000
57	A	132	ASP	-1	-0.768	-0.840	30.622	-0.172	-0.172	0.000	0.000	0.000	0.000
58	A	133	LEU	0	-0.005	0.004	29.657	0.004	0.004	0.000	0.000	0.000	0.000
59	A	134	ASN	0	-0.071	-0.056	32.239	0.013	0.013	0.000	0.000	0.000	0.000
60	A	135	ALA	0	-0.050	-0.021	35.303	0.007	0.007	0.000	0.000	0.000	0.000
61	A	136	GLY	0	0.022	0.023	33.795	0.001	0.001	0.000	0.000	0.000	0.000
62	A	137	ARG	1	0.848	0.908	31.639	0.151	0.151	0.000	0.000	0.000	0.000
63	A	138	ALA	0	0.038	0.022	26.070	0.002	0.002	0.000	0.000	0.000	0.000
64	A	139	THR	0	-0.071	-0.059	26.310	0.007	0.007	0.000	0.000	0.000	0.000
65	A	140	PHE	0	-0.033	-0.029	22.171	-0.012	-0.012	0.000	0.000	0.000	0.000
66	A	141	GLU	-1	-0.800	-0.878	21.338	-0.235	-0.235	0.000	0.000	0.000	0.000
67	A	142	ILE	0	-0.034	-0.011	14.956	-0.029	-0.029	0.000	0.000	0.000	0.000
68	A	143	PRO	0	0.009	0.002	16.935	0.006	0.006	0.000	0.000	0.000	0.000
69	A	144	LEU	0	-0.043	-0.001	12.769	-0.111	-0.111	0.000	0.000	0.000	0.000
70	A	145	ASP	-1	-0.821	-0.916	10.428	-0.810	-0.810	0.000	0.000	0.000	0.000
71	A	146	PRO	0	0.013	-0.008	11.124	-0.040	-0.040	0.000	0.000	0.000	0.000
72	A	147	TYR	0	-0.068	-0.029	10.755	0.169	0.169	0.000	0.000	0.000	0.000
73	A	148	VAL	0	-0.011	0.001	5.409	-0.040	-0.040	0.000	0.000	0.000	0.000
74	A	149	ASN	0	-0.042	-0.021	6.597	-0.079	-0.079	0.000	0.000	0.000	0.000
75	A	150	ARG	1	0.995	1.004	8.716	0.180	0.180	0.000	0.000	0.000	0.000
76	A	151	THR	0	-0.050	-0.006	7.822	0.057	0.057	0.000	0.000	0.000	0.000
77	A	152	GLY	0	-0.013	0.002	10.354	-0.003	-0.003	0.000	0.000	0.000	0.000
78	A	153	ASP	-1	-0.836	-0.923	13.908	0.087	0.087	0.000	0.000	0.000	0.000
79	A	154	VAL	0	-0.051	-0.022	13.128	-0.045	-0.045	0.000	0.000	0.000	0.000
80	A	155	TRP	0	-0.007	-0.002	12.192	-0.018	-0.018	0.000	0.000	0.000	0.000
81	A	156	HIS	1	0.806	0.867	6.338	0.605	0.605	0.000	0.000	0.000	0.000
82	A	157	ILE	0	0.012	0.007	9.694	-0.173	-0.173	0.000	0.000	0.000	0.000
83	A	158	MET	0	-0.024	0.003	8.508	0.273	0.273	0.000	0.000	0.000	0.000
84	A	159	LEU	0	0.011	0.007	11.312	-0.159	-0.159	0.000	0.000	0.000	0.000
85	A	160	PRO	0	0.019	0.012	12.683	0.120	0.120	0.000	0.000	0.000	0.000
86	A	161	ASP	-1	-0.918	-0.970	15.077	-0.471	-0.471	0.000	0.000	0.000	0.000
87	A	162	LEU	0	-0.041	-0.003	18.369	0.009	0.009	0.000	0.000	0.000	0.000
88	A	163	ARG	1	0.873	0.908	20.054	0.274	0.274	0.000	0.000	0.000	0.000
89	A	164	ASP	-1	-0.929	-0.973	23.825	-0.163	-0.163	0.000	0.000	0.000	0.000
90	A	165	ASP	-1	-0.875	-0.915	25.467	-0.186	-0.186	0.000	0.000	0.000	0.000
91	A	166	LEU	0	-0.061	-0.025	23.028	0.004	0.004	0.000	0.000	0.000	0.000
92	A	167	LEU	0	-0.051	-0.023	25.111	0.010	0.010	0.000	0.000	0.000	0.000
93	A	168	TYR	0	-0.078	-0.075	20.170	-0.025	-0.025	0.000	0.000	0.000	0.000
94	A	169	GLY	0	0.034	0.017	22.657	0.034	0.034	0.000	0.000	0.000	0.000
95	A	170	TYR	0	0.017	-0.001	17.212	-0.050	-0.050	0.000	0.000	0.000	0.000
96	A	171	ARG	1	0.787	0.877	21.784	0.234	0.234	0.000	0.000	0.000	0.000
97	A	172	VAL	0	-0.004	-0.007	21.153	-0.028	-0.028	0.000	0.000	0.000	0.000
98	A	173	GLU	-1	-0.821	-0.902	22.201	-0.136	-0.136	0.000	0.000	0.000	0.000
99	A	174	GLY	0	0.036	0.014	22.815	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	175	VAL	0	-0.002	0.016	25.252	-0.001	-0.001	0.000	0.000	0.000	0.000
101	A	176	HIS	0	0.028	0.000	28.609	0.011	0.011	0.000	0.000	0.000	0.000
102	A	177	GLN	0	0.059	0.036	31.738	0.002	0.002	0.000	0.000	0.000	0.000
103	A	178	GLU	-1	-0.835	-0.912	34.615	-0.025	-0.025	0.000	0.000	0.000	0.000
104	A	179	GLU	-1	-0.917	-0.949	31.158	-0.072	-0.072	0.000	0.000	0.000	0.000
105	A	180	ASP	-1	-0.810	-0.897	33.154	-0.036	-0.036	0.000	0.000	0.000	0.000
106	A	181	LYS	1	0.787	0.861	34.716	0.033	0.033	0.000	0.000	0.000	0.000
107	A	182	ASP	-1	-0.877	-0.926	34.227	-0.005	-0.005	0.000	0.000	0.000	0.000
108	A	183	TYR	0	-0.061	-0.032	29.408	0.006	0.006	0.000	0.000	0.000	0.000
109	A	184	PRO	0	0.015	0.022	32.472	-0.004	-0.004	0.000	0.000	0.000	0.000
110	A	185	GLY	0	0.056	0.017	32.502	0.007	0.007	0.000	0.000	0.000	0.000
111	A	186	MET	0	-0.032	0.014	26.260	0.002	0.002	0.000	0.000	0.000	0.000
112	A	187	ARG	1	0.810	0.881	29.402	0.020	0.020	0.000	0.000	0.000	0.000
113	A	188	HIS	0	0.047	0.051	23.844	-0.013	-0.013	0.000	0.000	0.000	0.000
114	A	189	ASP	-1	-0.776	-0.884	28.065	-0.090	-0.090	0.000	0.000	0.000	0.000
115	A	190	LYS	1	0.909	0.950	26.471	0.161	0.161	0.000	0.000	0.000	0.000
116	A	191	ARG	1	0.818	0.875	27.567	0.074	0.074	0.000	0.000	0.000	0.000
117	A	192	ARG	1	0.873	0.954	29.016	0.088	0.088	0.000	0.000	0.000	0.000
118	A	193	VAL	0	0.018	0.012	24.622	-0.011	-0.011	0.000	0.000	0.000	0.000
119	A	194	VAL	0	-0.013	0.000	24.077	0.012	0.012	0.000	0.000	0.000	0.000
120	A	195	LEU	0	0.011	0.000	24.687	-0.018	-0.018	0.000	0.000	0.000	0.000
121	A	196	ASP	-1	-0.727	-0.854	20.196	-0.066	-0.066	0.000	0.000	0.000	0.000
122	A	197	PRO	0	0.006	0.002	22.451	0.004	0.004	0.000	0.000	0.000	0.000
123	A	198	TYR	0	-0.038	-0.051	21.318	0.009	0.009	0.000	0.000	0.000	0.000
124	A	199	ALA	0	-0.065	-0.015	23.436	-0.004	-0.004	0.000	0.000	0.000	0.000
125	A	200	VAL	0	0.024	0.013	24.170	0.013	0.013	0.000	0.000	0.000	0.000
126	A	201	ALA	0	0.004	-0.017	25.972	0.008	0.008	0.000	0.000	0.000	0.000
127	A	202	VAL	0	0.013	0.012	28.054	-0.014	-0.014	0.000	0.000	0.000	0.000
128	A	203	LEU	0	-0.034	-0.011	30.374	0.007	0.007	0.000	0.000	0.000	0.000
129	A	204	ASN	0	0.008	-0.018	31.946	-0.003	-0.003	0.000	0.000	0.000	0.000
130	A	205	ARG	1	0.808	0.898	34.677	0.041	0.041	0.000	0.000	0.000	0.000
131	A	206	ARG	1	0.776	0.867	35.406	0.079	0.079	0.000	0.000	0.000	0.000
132	A	207	ARG	1	0.869	0.923	39.160	0.047	0.047	0.000	0.000	0.000	0.000
133	A	208	TRP	0	0.010	0.003	42.773	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	209	GLY	0	0.008	-0.006	44.276	0.000	0.000	0.000	0.000	0.000	0.000
135	A	210	GLN	0	-0.070	-0.020	41.708	0.000	0.000	0.000	0.000	0.000	0.000
136	A	211	MET	0	-0.005	0.008	43.060	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	212	GLY	0	0.052	0.019	40.668	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	213	PRO	0	-0.009	0.006	39.056	0.004	0.004	0.000	0.000	0.000	0.000
139	A	214	ASN	0	-0.044	-0.021	41.828	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	215	LEU	0	0.015	0.020	37.399	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	216	PRO	0	0.016	0.018	40.210	0.005	0.005	0.000	0.000	0.000	0.000
142	A	217	TYR	0	-0.019	-0.045	37.429	-0.004	-0.004	0.000	0.000	0.000	0.000
143	A	218	GLY	0	-0.035	-0.018	38.034	0.005	0.005	0.000	0.000	0.000	0.000
144	A	219	GLU	-1	-0.983	-0.981	38.610	-0.097	-0.097	0.000	0.000	0.000	0.000
145	A	220	GLU	-1	-0.887	-0.954	33.359	-0.139	-0.139	0.000	0.000	0.000	0.000
146	A	221	GLY	0	-0.045	-0.020	32.790	0.000	0.000	0.000	0.000	0.000	0.000
147	A	222	VAL	0	-0.084	-0.029	32.776	-0.007	-0.007	0.000	0.000	0.000	0.000
148	A	223	LEU	0	-0.038	-0.009	28.726	0.003	0.003	0.000	0.000	0.000	0.000
149	A	224	GLY	0	0.011	-0.004	32.937	0.005	0.005	0.000	0.000	0.000	0.000
150	A	225	VAL	0	-0.071	-0.037	34.811	0.000	0.000	0.000	0.000	0.000	0.000
151	A	226	MET	0	0.016	0.004	37.288	0.004	0.004	0.000	0.000	0.000	0.000
152	A	227	PRO	0	0.038	0.021	39.812	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	228	THR	0	0.050	0.015	41.469	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	229	TRP	0	-0.034	-0.008	35.626	0.003	0.003	0.000	0.000	0.000	0.000
155	A	230	PRO	0	0.000	0.010	36.750	-0.005	-0.005	0.000	0.000	0.000	0.000
156	A	231	GLN	0	-0.014	-0.030	29.129	0.005	0.005	0.000	0.000	0.000	0.000
157	A	232	ALA	0	0.007	0.011	30.936	0.002	0.002	0.000	0.000	0.000	0.000
158	A	233	ALA	0	0.001	0.003	27.025	-0.011	-0.011	0.000	0.000	0.000	0.000
159	A	234	ALA	0	0.009	0.013	24.137	0.016	0.016	0.000	0.000	0.000	0.000
160	A	235	ALA	0	-0.010	-0.013	25.164	-0.021	-0.021	0.000	0.000	0.000	0.000
161	A	236	LEU	0	0.047	0.028	20.488	0.005	0.005	0.000	0.000	0.000	0.000
162	A	237	PRO	0	0.033	0.027	19.071	0.024	0.024	0.000	0.000	0.000	0.000
163	A	238	ALA	0	-0.017	-0.015	22.410	-0.016	-0.016	0.000	0.000	0.000	0.000
164	A	239	ALA	0	0.036	0.022	22.463	0.000	0.000	0.000	0.000	0.000	0.000
165	A	240	ARG	1	0.992	0.976	18.904	0.008	0.008	0.000	0.000	0.000	0.000
166	A	241	GLY	0	-0.022	-0.012	22.361	-0.007	-0.007	0.000	0.000	0.000	0.000
167	A	242	SER	0	-0.009	0.004	25.450	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	243	ALA	0	-0.039	-0.014	27.095	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	244	PHE	0	0.024	0.011	28.821	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	245	ASP	-1	-0.863	-0.920	32.118	0.030	0.030	0.000	0.000	0.000	0.000
171	A	246	TRP	0	0.012	-0.022	31.663	-0.004	-0.004	0.000	0.000	0.000	0.000
172	A	247	GLU	-1	-0.829	-0.882	36.104	0.017	0.017	0.000	0.000	0.000	0.000
173	A	248	GLY	0	-0.041	-0.022	37.086	0.001	0.001	0.000	0.000	0.000	0.000
174	A	249	ASP	-1	-0.821	-0.875	37.281	0.046	0.046	0.000	0.000	0.000	0.000
175	A	250	THR	0	-0.014	-0.014	36.450	0.008	0.008	0.000	0.000	0.000	0.000
176	A	251	PRO	0	-0.001	-0.005	35.547	-0.005	-0.005	0.000	0.000	0.000	0.000
177	A	252	LEU	0	-0.052	-0.012	38.571	0.002	0.002	0.000	0.000	0.000	0.000
178	A	253	ASN	0	-0.048	-0.020	40.360	0.002	0.002	0.000	0.000	0.000	0.000
179	A	254	LEU	0	-0.014	0.002	42.143	0.000	0.000	0.000	0.000	0.000	0.000
180	A	255	PRO	0	0.020	0.011	45.279	0.002	0.002	0.000	0.000	0.000	0.000
181	A	256	MET	0	0.047	0.039	45.768	-0.003	-0.003	0.000	0.000	0.000	0.000
182	A	257	GLU	-1	-0.868	-0.958	47.524	0.052	0.052	0.000	0.000	0.000	0.000
183	A	258	SER	0	-0.107	-0.063	49.607	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	259	LEU	0	-0.057	-0.011	45.767	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	260	VAL	0	-0.015	-0.021	50.477	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	261	ILE	0	0.012	0.011	47.043	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	262	TYR	0	-0.061	-0.049	49.382	-0.002	-0.002	0.000	0.000	0.000	0.000
188	A	263	GLU	-1	-0.740	-0.865	47.618	0.019	0.019	0.000	0.000	0.000	0.000
189	A	264	ALA	0	-0.001	-0.014	47.442	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	265	HIS	0	0.055	0.024	45.447	0.001	0.001	0.000	0.000	0.000	0.000
191	A	266	VAL	0	0.022	0.000	41.972	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	267	ARG	1	0.838	0.911	45.388	0.017	0.017	0.000	0.000	0.000	0.000
193	A	268	GLY	0	0.054	0.017	47.235	-0.001	-0.001	0.000	0.000	0.000	0.000
194	A	269	PHE	0	-0.021	0.000	48.633	0.000	0.000	0.000	0.000	0.000	0.000
195	A	270	THR	0	0.022	-0.002	49.050	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	271	ALA	0	0.023	0.037	50.503	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	272	HIS	0	-0.010	0.013	52.042	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	273	ALA	0	0.039	0.012	55.665	0.000	0.000	0.000	0.000	0.000	0.000
199	A	274	SER	0	-0.060	-0.040	57.812	0.000	0.000	0.000	0.000	0.000	0.000
200	A	275	SER	0	-0.015	-0.008	53.567	0.001	0.001	0.000	0.000	0.000	0.000
201	A	276	GLY	0	0.020	0.008	55.791	0.001	0.001	0.000	0.000	0.000	0.000
202	A	277	VAL	0	-0.080	-0.016	50.462	0.000	0.000	0.000	0.000	0.000	0.000
203	A	278	ALA	0	-0.017	-0.017	49.458	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	279	ALA	0	-0.038	-0.020	46.164	-0.003	-0.003	0.000	0.000	0.000	0.000
205	A	280	PRO	0	0.014	0.011	47.638	0.002	0.002	0.000	0.000	0.000	0.000
206	A	281	GLY	0	-0.016	-0.005	47.728	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	282	THR	0	-0.048	-0.036	43.247	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	283	TYR	0	0.034	-0.004	37.703	0.005	0.005	0.000	0.000	0.000	0.000
209	A	284	ALA	0	0.022	0.007	42.610	0.003	0.003	0.000	0.000	0.000	0.000
210	A	285	GLY	0	0.013	0.006	44.250	0.001	0.001	0.000	0.000	0.000	0.000
211	A	286	MET	0	-0.022	-0.014	45.266	0.002	0.002	0.000	0.000	0.000	0.000
212	A	287	VAL	0	0.012	0.001	43.634	0.003	0.003	0.000	0.000	0.000	0.000
213	A	288	GLU	-1	-0.839	-0.918	46.751	-0.007	-0.007	0.000	0.000	0.000	0.000
214	A	289	ARG	1	0.809	0.911	50.003	0.003	0.003	0.000	0.000	0.000	0.000
215	A	290	LEU	0	0.024	0.019	45.586	0.002	0.002	0.000	0.000	0.000	0.000
216	A	291	ASP	-1	-0.852	-0.922	50.275	0.013	0.013	0.000	0.000	0.000	0.000
217	A	292	TYR	0	-0.048	-0.034	53.321	0.001	0.001	0.000	0.000	0.000	0.000
218	A	293	LEU	0	0.054	0.021	49.521	0.001	0.001	0.000	0.000	0.000	0.000
219	A	294	LYS	1	0.994	1.000	51.895	-0.019	-0.019	0.000	0.000	0.000	0.000
220	A	295	SER	0	-0.085	-0.060	53.420	0.001	0.001	0.000	0.000	0.000	0.000
221	A	296	LEU	0	-0.035	-0.007	55.149	0.000	0.000	0.000	0.000	0.000	0.000
222	A	297	GLY	0	0.033	0.004	55.727	0.000	0.000	0.000	0.000	0.000	0.000
223	A	298	VAL	0	-0.051	-0.004	50.343	0.002	0.002	0.000	0.000	0.000	0.000
224	A	299	ASN	0	-0.005	-0.012	49.470	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	300	ALA	0	0.018	0.018	46.171	0.003	0.003	0.000	0.000	0.000	0.000
226	A	301	ILE	0	-0.018	-0.003	44.391	-0.002	-0.002	0.000	0.000	0.000	0.000
227	A	302	GLU	-1	-0.852	-0.953	43.744	0.037	0.037	0.000	0.000	0.000	0.000
228	A	303	LEU	0	-0.047	-0.023	40.813	-0.004	-0.004	0.000	0.000	0.000	0.000
229	A	304	LEU	0	0.034	-0.003	42.258	0.002	0.002	0.000	0.000	0.000	0.000
230	A	305	PRO	0	-0.027	0.001	39.209	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	306	VAL	0	0.036	0.017	36.341	-0.005	-0.005	0.000	0.000	0.000	0.000
232	A	307	PHE	0	-0.054	-0.016	33.444	-0.004	-0.004	0.000	0.000	0.000	0.000
233	A	308	GLU	-1	-0.761	-0.877	33.079	-0.041	-0.041	0.000	0.000	0.000	0.000
234	A	309	PHE	0	0.067	0.036	35.186	0.001	0.001	0.000	0.000	0.000	0.000
235	A	310	ASN	0	0.025	0.002	37.695	-0.005	-0.005	0.000	0.000	0.000	0.000
236	A	311	GLU	-1	-0.681	-0.804	39.605	-0.032	-0.032	0.000	0.000	0.000	0.000
237	A	312	LEU	0	-0.046	-0.029	42.482	0.002	0.002	0.000	0.000	0.000	0.000
238	A	313	GLU	-1	-0.828	-0.869	40.709	-0.016	-0.016	0.000	0.000	0.000	0.000
239	A	314	TYR	0	0.005	-0.009	42.619	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	315	TYR	0	-0.006	0.002	45.929	0.001	0.001	0.000	0.000	0.000	0.000
241	A	316	SER	0	-0.034	-0.024	47.899	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	317	GLN	0	-0.051	-0.022	51.395	0.000	0.000	0.000	0.000	0.000	0.000
243	A	318	ILE	0	0.004	0.018	54.461	0.000	0.000	0.000	0.000	0.000	0.000
244	A	319	PRO	0	-0.053	-0.039	56.535	0.000	0.000	0.000	0.000	0.000	0.000
245	A	320	GLY	0	-0.020	0.010	59.635	0.001	0.001	0.000	0.000	0.000	0.000
246	A	321	SER	0	-0.025	-0.020	58.929	0.001	0.001	0.000	0.000	0.000	0.000
247	A	322	ASP	-1	-0.913	-0.947	60.011	-0.017	-0.017	0.000	0.000	0.000	0.000
248	A	323	GLN	0	0.038	0.031	54.554	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	324	TYR	0	-0.040	-0.038	51.763	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	325	ARG	1	0.820	0.910	50.176	0.013	0.013	0.000	0.000	0.000	0.000
251	A	326	PHE	0	0.014	-0.011	46.889	-0.003	-0.003	0.000	0.000	0.000	0.000
252	A	327	ASN	0	-0.072	-0.029	43.073	0.004	0.004	0.000	0.000	0.000	0.000
253	A	328	PHE	0	-0.013	-0.025	44.913	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	329	TRP	0	0.016	-0.015	45.653	0.000	0.000	0.000	0.000	0.000	0.000
255	A	330	GLY	0	0.083	0.039	42.104	0.002	0.002	0.000	0.000	0.000	0.000
256	A	331	TYR	0	-0.084	-0.067	40.580	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	332	SER	0	-0.014	-0.041	39.293	0.001	0.001	0.000	0.000	0.000	0.000
258	A	333	THR	0	-0.005	0.010	33.371	-0.003	-0.003	0.000	0.000	0.000	0.000
259	A	334	VAL	0	-0.049	-0.021	32.210	0.000	0.000	0.000	0.000	0.000	0.000
260	A	335	ASN	0	-0.025	-0.025	26.945	0.003	0.003	0.000	0.000	0.000	0.000
261	A	336	TYR	0	0.051	0.002	29.407	0.000	0.000	0.000	0.000	0.000	0.000
262	A	337	PHE	0	0.035	0.026	24.296	0.009	0.009	0.000	0.000	0.000	0.000
263	A	338	SER	0	-0.013	0.009	28.520	-0.006	-0.006	0.000	0.000	0.000	0.000
264	A	339	PRO	0	0.003	0.000	30.590	0.003	0.003	0.000	0.000	0.000	0.000
265	A	340	MET	0	-0.019	0.026	34.021	-0.010	-0.010	0.000	0.000	0.000	0.000
266	A	341	GLY	0	0.053	0.029	36.097	0.001	0.001	0.000	0.000	0.000	0.000
267	A	342	ARG	1	0.718	0.828	36.490	0.040	0.040	0.000	0.000	0.000	0.000
268	A	343	PHE	0	-0.007	-0.003	39.715	0.002	0.002	0.000	0.000	0.000	0.000
269	A	344	SER	0	-0.072	-0.054	37.918	0.001	0.001	0.000	0.000	0.000	0.000
270	A	345	ALA	0	0.005	-0.012	39.977	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	346	ALA	0	0.012	0.003	38.124	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	347	VAL	0	0.009	0.015	35.605	-0.006	-0.006	0.000	0.000	0.000	0.000
273	A	348	GLY	0	0.057	0.039	38.311	-0.005	-0.005	0.000	0.000	0.000	0.000
274	A	349	GLN	0	-0.066	-0.040	41.543	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	350	GLY	0	-0.016	-0.004	39.021	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	351	ALA	0	-0.020	0.000	36.348	-0.006	-0.006	0.000	0.000	0.000	0.000
277	A	352	PRO	0	0.070	0.021	31.177	-0.002	-0.002	0.000	0.000	0.000	0.000
278	A	353	ALA	0	0.059	0.033	30.304	0.008	0.008	0.000	0.000	0.000	0.000
279	A	354	ARG	1	0.940	0.947	25.636	0.107	0.107	0.000	0.000	0.000	0.000
280	A	355	ALA	0	-0.013	0.008	30.601	0.009	0.009	0.000	0.000	0.000	0.000
281	A	356	SER	0	-0.003	-0.010	33.184	0.008	0.008	0.000	0.000	0.000	0.000
282	A	357	CYS	0	-0.024	0.005	30.292	0.004	0.004	0.000	0.000	0.000	0.000
283	A	358	ASP	-1	-0.834	-0.934	32.229	-0.009	-0.009	0.000	0.000	0.000	0.000
284	A	359	GLU	-1	-0.794	-0.866	34.430	-0.017	-0.017	0.000	0.000	0.000	0.000
285	A	360	PHE	0	0.020	0.002	35.200	0.004	0.004	0.000	0.000	0.000	0.000
286	A	361	LYS	1	0.854	0.926	28.982	-0.020	-0.020	0.000	0.000	0.000	0.000
287	A	362	GLN	0	-0.005	0.007	36.014	0.005	0.005	0.000	0.000	0.000	0.000
288	A	363	LEU	0	0.009	-0.004	39.211	0.002	0.002	0.000	0.000	0.000	0.000
289	A	364	VAL	0	0.022	0.027	37.070	0.002	0.002	0.000	0.000	0.000	0.000
290	A	365	LYS	1	0.775	0.888	38.048	-0.012	-0.012	0.000	0.000	0.000	0.000
291	A	366	GLU	-1	-0.835	-0.909	40.543	0.013	0.013	0.000	0.000	0.000	0.000
292	A	367	CYS	0	-0.063	-0.027	42.859	0.000	0.000	0.000	0.000	0.000	0.000
293	A	368	HIS	1	0.820	0.870	38.309	-0.043	-0.043	0.000	0.000	0.000	0.000
294	A	369	ARG	1	0.796	0.893	42.970	-0.016	-0.016	0.000	0.000	0.000	0.000
295	A	370	ARG	1	0.706	0.838	45.902	-0.013	-0.013	0.000	0.000	0.000	0.000
296	A	371	GLY	0	-0.028	-0.011	47.115	0.000	0.000	0.000	0.000	0.000	0.000
297	A	372	ILE	0	-0.073	-0.037	46.081	0.001	0.001	0.000	0.000	0.000	0.000
298	A	373	GLU	-1	-0.766	-0.879	43.093	0.054	0.054	0.000	0.000	0.000	0.000
299	A	374	VAL	0	-0.014	-0.023	39.798	-0.004	-0.004	0.000	0.000	0.000	0.000
300	A	375	ILE	0	-0.029	-0.008	40.150	0.005	0.005	0.000	0.000	0.000	0.000
301	A	376	LEU	0	0.015	0.005	35.461	-0.005	-0.005	0.000	0.000	0.000	0.000
302	A	377	ASP	-1	-0.722	-0.822	39.084	0.032	0.032	0.000	0.000	0.000	0.000
303	A	378	VAL	0	-0.060	-0.024	35.276	-0.003	-0.003	0.000	0.000	0.000	0.000
304	A	379	VAL	0	0.030	0.007	36.962	0.003	0.003	0.000	0.000	0.000	0.000
305	A	380	PHE	0	0.023	0.001	30.866	-0.003	-0.003	0.000	0.000	0.000	0.000
306	A	381	ASN	0	-0.013	-0.015	35.156	0.000	0.000	0.000	0.000	0.000	0.000
307	A	382	HIS	0	0.008	-0.020	36.747	-0.003	-0.003	0.000	0.000	0.000	0.000
308	A	383	THR	0	-0.020	-0.019	32.453	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	384	ALA	0	0.066	0.019	35.642	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	385	GLU	-1	-0.728	-0.821	31.285	-0.033	-0.033	0.000	0.000	0.000	0.000
311	A	386	GLY	0	0.045	0.044	35.705	-0.003	-0.003	0.000	0.000	0.000	0.000
312	A	387	ASN	0	0.021	0.003	37.412	0.001	0.001	0.000	0.000	0.000	0.000
313	A	388	GLU	-1	-0.794	-0.889	37.389	-0.014	-0.014	0.000	0.000	0.000	0.000
314	A	389	ARG	1	0.766	0.874	38.462	0.016	0.016	0.000	0.000	0.000	0.000
315	A	390	GLY	0	0.003	0.024	38.771	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	391	PRO	0	-0.021	-0.005	35.746	-0.005	-0.005	0.000	0.000	0.000	0.000
317	A	392	THR	0	-0.019	-0.024	30.109	0.008	0.008	0.000	0.000	0.000	0.000
318	A	393	ILE	0	-0.055	-0.028	30.953	-0.009	-0.009	0.000	0.000	0.000	0.000
319	A	394	SER	0	-0.039	-0.052	26.415	-0.005	-0.005	0.000	0.000	0.000	0.000
320	A	395	PHE	0	0.049	0.026	26.875	-0.006	-0.006	0.000	0.000	0.000	0.000
321	A	396	ARG	1	0.819	0.893	27.451	0.025	0.025	0.000	0.000	0.000	0.000
322	A	397	GLY	0	-0.014	-0.014	27.557	0.000	0.000	0.000	0.000	0.000	0.000
323	A	398	LEU	0	-0.004	0.021	21.558	-0.011	-0.011	0.000	0.000	0.000	0.000
324	A	399	ASP	-1	-0.732	-0.834	23.217	0.036	0.036	0.000	0.000	0.000	0.000
325	A	400	ASN	0	0.013	0.026	25.324	0.013	0.013	0.000	0.000	0.000	0.000
326	A	401	ARG	1	0.836	0.907	27.810	-0.020	-0.020	0.000	0.000	0.000	0.000
327	A	402	VAL	0	-0.043	0.010	24.130	0.011	0.011	0.000	0.000	0.000	0.000
328	A	403	TYR	0	0.053	0.006	22.682	0.015	0.015	0.000	0.000	0.000	0.000
329	A	404	TYR	0	-0.056	-0.033	28.959	0.004	0.004	0.000	0.000	0.000	0.000
330	A	405	MET	0	-0.014	0.008	32.571	0.002	0.002	0.000	0.000	0.000	0.000
331	A	406	LEU	0	-0.035	-0.004	32.518	-0.007	-0.007	0.000	0.000	0.000	0.000
332	A	407	ALA	0	0.031	0.018	36.164	0.007	0.007	0.000	0.000	0.000	0.000
333	A	408	PRO	0	0.043	0.007	36.849	-0.003	-0.003	0.000	0.000	0.000	0.000
334	A	409	GLY	0	0.005	0.016	37.140	-0.002	-0.002	0.000	0.000	0.000	0.000
335	A	410	GLY	0	-0.062	-0.045	35.961	-0.006	-0.006	0.000	0.000	0.000	0.000
336	A	411	GLU	-1	-0.906	-0.954	36.871	0.008	0.008	0.000	0.000	0.000	0.000
337	A	412	TYR	0	-0.013	-0.025	33.507	0.002	0.002	0.000	0.000	0.000	0.000
338	A	413	TYR	0	0.034	0.011	38.533	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	414	ASN	0	-0.021	0.001	40.022	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	415	TYR	0	0.057	0.020	40.661	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	416	SER	0	0.027	-0.002	40.692	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	417	GLY	0	-0.012	0.012	42.934	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	418	CYS	0	-0.039	-0.021	41.703	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	419	GLY	0	-0.054	-0.025	41.559	-0.004	-0.004	0.000	0.000	0.000	0.000
345	A	420	ASN	0	-0.052	-0.037	36.122	0.005	0.005	0.000	0.000	0.000	0.000
346	A	421	THR	0	0.052	0.016	37.323	0.001	0.001	0.000	0.000	0.000	0.000
347	A	422	LEU	0	0.005	0.017	30.729	0.000	0.000	0.000	0.000	0.000	0.000
348	A	423	ASN	0	0.021	0.007	30.317	0.003	0.003	0.000	0.000	0.000	0.000
349	A	424	CYS	0	-0.036	-0.030	31.297	0.009	0.009	0.000	0.000	0.000	0.000
350	A	425	ASN	0	0.034	-0.018	31.137	0.016	0.016	0.000	0.000	0.000	0.000
351	A	426	GLN	0	0.030	0.038	26.145	0.025	0.025	0.000	0.000	0.000	0.000
352	A	427	PRO	0	0.000	-0.015	24.658	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	428	VAL	0	0.039	0.023	21.818	0.011	0.011	0.000	0.000	0.000	0.000
354	A	429	VAL	0	0.014	0.019	23.989	-0.005	-0.005	0.000	0.000	0.000	0.000
355	A	430	ARG	1	0.911	0.971	27.186	-0.165	-0.165	0.000	0.000	0.000	0.000
356	A	431	GLN	0	-0.076	-0.033	21.209	0.013	0.013	0.000	0.000	0.000	0.000
357	A	432	PHE	0	-0.011	-0.003	24.435	-0.006	-0.006	0.000	0.000	0.000	0.000
358	A	433	ILE	0	-0.008	-0.003	25.393	-0.007	-0.007	0.000	0.000	0.000	0.000
359	A	434	LEU	0	0.034	0.002	26.431	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	435	ASP	-1	-0.844	-0.893	21.953	0.179	0.179	0.000	0.000	0.000	0.000
361	A	436	CYS	0	-0.060	-0.003	25.199	-0.010	-0.010	0.000	0.000	0.000	0.000
362	A	437	LEU	0	0.005	0.001	27.907	-0.007	-0.007	0.000	0.000	0.000	0.000
363	A	438	LYS	1	0.886	0.924	24.738	-0.193	-0.193	0.000	0.000	0.000	0.000
364	A	439	HIS	0	-0.030	0.020	25.840	0.007	0.007	0.000	0.000	0.000	0.000
365	A	440	TRP	0	0.016	-0.011	27.423	-0.006	-0.006	0.000	0.000	0.000	0.000
366	A	441	VAL	0	-0.008	0.004	30.960	-0.005	-0.005	0.000	0.000	0.000	0.000
367	A	442	THR	0	-0.059	-0.058	26.229	0.002	0.002	0.000	0.000	0.000	0.000
368	A	443	GLU	-1	-0.922	-0.963	26.315	0.048	0.048	0.000	0.000	0.000	0.000
369	A	444	TYR	0	-0.034	-0.023	29.228	-0.015	-0.015	0.000	0.000	0.000	0.000
370	A	445	HIS	1	0.775	0.893	31.942	-0.064	-0.064	0.000	0.000	0.000	0.000
371	A	446	VAL	0	0.048	0.026	34.447	-0.003	-0.003	0.000	0.000	0.000	0.000
372	A	447	ASP	-1	-0.747	-0.858	36.198	0.057	0.057	0.000	0.000	0.000	0.000
373	A	448	GLY	0	-0.004	-0.011	38.779	0.005	0.005	0.000	0.000	0.000	0.000
374	A	449	PHE	0	-0.032	-0.006	33.031	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	450	ARG	1	0.760	0.868	38.652	-0.028	-0.028	0.000	0.000	0.000	0.000
376	A	451	PHE	0	-0.011	-0.025	34.887	-0.002	-0.002	0.000	0.000	0.000	0.000
377	A	452	ASP	-1	-0.712	-0.870	40.184	0.025	0.025	0.000	0.000	0.000	0.000
378	A	453	LEU	0	-0.034	0.000	40.891	0.003	0.003	0.000	0.000	0.000	0.000
379	A	454	ALA	0	0.035	0.015	40.422	0.002	0.002	0.000	0.000	0.000	0.000
380	A	455	SER	0	-0.003	-0.022	40.536	0.004	0.004	0.000	0.000	0.000	0.000
381	A	456	ILE	0	-0.044	0.009	37.945	0.004	0.004	0.000	0.000	0.000	0.000
382	A	457	LEU	0	-0.003	-0.008	35.550	0.003	0.003	0.000	0.000	0.000	0.000
383	A	458	THR	0	-0.019	-0.019	36.826	0.008	0.008	0.000	0.000	0.000	0.000
384	A	459	ARG	1	0.712	0.868	38.844	-0.041	-0.041	0.000	0.000	0.000	0.000
385	A	460	ALA	0	0.004	0.009	36.564	0.004	0.004	0.000	0.000	0.000	0.000
386	A	461	HIS	0	-0.005	-0.004	31.559	-0.009	-0.009	0.000	0.000	0.000	0.000
387	A	462	SER	0	0.014	-0.003	33.542	0.001	0.001	0.000	0.000	0.000	0.000
388	A	463	ALA	0	-0.040	-0.014	30.809	0.004	0.004	0.000	0.000	0.000	0.000
389	A	464	TRP	0	0.031	-0.007	28.941	-0.009	-0.009	0.000	0.000	0.000	0.000
390	A	465	HIS	0	-0.016	-0.010	28.441	0.019	0.019	0.000	0.000	0.000	0.000
391	A	466	PRO	0	0.001	0.003	23.411	-0.010	-0.010	0.000	0.000	0.000	0.000
392	A	467	GLN	0	-0.032	-0.018	23.812	-0.004	-0.004	0.000	0.000	0.000	0.000
393	A	468	GLN	0	0.002	-0.003	23.605	0.008	0.008	0.000	0.000	0.000	0.000
394	A	469	TYR	0	-0.048	-0.054	22.263	-0.006	-0.006	0.000	0.000	0.000	0.000
395	A	470	ASP	-1	-0.853	-0.906	24.651	-0.003	-0.003	0.000	0.000	0.000	0.000
396	A	471	GLN	0	-0.075	-0.045	23.098	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	472	GLU	-1	-0.910	-0.938	23.193	-0.017	-0.017	0.000	0.000	0.000	0.000
398	A	473	THR	0	-0.105	-0.072	24.999	-0.020	-0.020	0.000	0.000	0.000	0.000
399	A	474	GLY	0	0.009	0.010	23.308	-0.020	-0.020	0.000	0.000	0.000	0.000
400	A	475	GLN	0	-0.052	-0.043	24.093	0.009	0.009	0.000	0.000	0.000	0.000
401	A	476	ARG	1	0.877	0.938	25.933	0.065	0.065	0.000	0.000	0.000	0.000
402	A	477	VAL	0	-0.010	-0.003	26.856	-0.004	-0.004	0.000	0.000	0.000	0.000
403	A	478	ALA	0	0.019	0.030	29.584	0.008	0.008	0.000	0.000	0.000	0.000
404	A	479	MET	0	-0.013	-0.004	28.470	0.009	0.009	0.000	0.000	0.000	0.000
405	A	480	SER	0	0.011	-0.007	33.357	-0.006	-0.006	0.000	0.000	0.000	0.000
406	A	481	SER	0	0.011	0.004	35.582	0.004	0.004	0.000	0.000	0.000	0.000
407	A	482	GLY	0	0.065	0.041	34.200	0.000	0.000	0.000	0.000	0.000	0.000
408	A	483	GLY	0	-0.016	-0.012	31.401	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	484	ALA	0	-0.044	0.001	31.954	0.010	0.010	0.000	0.000	0.000	0.000
410	A	485	ILE	0	-0.025	-0.015	30.598	0.000	0.000	0.000	0.000	0.000	0.000
411	A	486	VAL	0	-0.016	-0.011	34.938	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	487	THR	0	-0.028	-0.031	38.738	0.003	0.003	0.000	0.000	0.000	0.000
413	A	488	ALA	0	-0.014	-0.013	41.914	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	489	GLU	-1	-0.928	-0.956	44.362	0.044	0.044	0.000	0.000	0.000	0.000
415	A	490	GLY	0	-0.018	-0.005	42.431	-0.004	-0.004	0.000	0.000	0.000	0.000
416	A	491	ILE	0	-0.032	-0.008	42.034	-0.002	-0.002	0.000	0.000	0.000	0.000
417	A	492	MET	0	0.025	0.020	34.208	0.003	0.003	0.000	0.000	0.000	0.000
418	A	493	THR	0	-0.023	0.002	36.929	0.000	0.000	0.000	0.000	0.000	0.000
419	A	494	ASP	-1	-0.739	-0.879	34.304	0.099	0.099	0.000	0.000	0.000	0.000
420	A	495	GLY	0	-0.041	-0.032	32.310	0.010	0.010	0.000	0.000	0.000	0.000
421	A	496	ALA	0	-0.078	-0.037	33.367	0.007	0.007	0.000	0.000	0.000	0.000
422	A	497	GLY	0	-0.022	-0.011	35.175	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	498	VAL	0	-0.022	0.002	37.957	-0.007	-0.007	0.000	0.000	0.000	0.000
424	A	499	PRO	0	-0.006	0.007	38.666	0.000	0.000	0.000	0.000	0.000	0.000
425	A	500	THR	0	0.017	-0.029	36.827	0.001	0.001	0.000	0.000	0.000	0.000
426	A	501	GLY	0	-0.014	-0.012	39.078	-0.005	-0.005	0.000	0.000	0.000	0.000
427	A	502	TYR	0	-0.043	-0.013	41.008	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	503	PRO	0	0.001	-0.001	40.934	0.005	0.005	0.000	0.000	0.000	0.000
429	A	504	LEU	0	0.011	-0.006	36.886	0.000	0.000	0.000	0.000	0.000	0.000
430	A	505	ALA	0	0.009	-0.003	41.058	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	506	ASP	-1	-0.859	-0.905	38.357	0.113	0.113	0.000	0.000	0.000	0.000
432	A	507	PRO	0	-0.046	0.010	36.341	0.006	0.006	0.000	0.000	0.000	0.000
433	A	508	PRO	0	0.115	0.042	31.185	0.001	0.001	0.000	0.000	0.000	0.000
434	A	509	LEU	0	-0.042	-0.004	30.675	0.008	0.008	0.000	0.000	0.000	0.000
435	A	510	VAL	0	0.010	0.001	32.463	0.002	0.002	0.000	0.000	0.000	0.000
436	A	511	GLU	-1	-0.888	-0.920	32.762	0.151	0.151	0.000	0.000	0.000	0.000
437	A	512	SER	0	-0.014	-0.029	29.544	0.009	0.009	0.000	0.000	0.000	0.000
438	A	513	ILE	0	-0.058	-0.033	31.581	0.003	0.003	0.000	0.000	0.000	0.000
439	A	514	SER	0	-0.050	-0.038	33.129	-0.006	-0.006	0.000	0.000	0.000	0.000
440	A	515	GLU	-1	-0.929	-0.964	33.010	0.140	0.140	0.000	0.000	0.000	0.000
441	A	516	ASP	-1	-0.811	-0.879	27.537	0.191	0.191	0.000	0.000	0.000	0.000
442	A	517	PRO	0	-0.027	-0.037	28.690	-0.012	-0.012	0.000	0.000	0.000	0.000
443	A	518	VAL	0	-0.055	-0.032	26.641	-0.009	-0.009	0.000	0.000	0.000	0.000
444	A	519	LEU	0	0.051	0.023	30.097	-0.011	-0.011	0.000	0.000	0.000	0.000
445	A	520	ARG	1	0.918	0.987	32.649	-0.147	-0.147	0.000	0.000	0.000	0.000
446	A	521	ASN	0	-0.051	-0.027	35.455	0.000	0.000	0.000	0.000	0.000	0.000
447	A	522	THR	0	-0.009	0.012	35.104	-0.004	-0.004	0.000	0.000	0.000	0.000
448	A	523	LYS	1	0.796	0.882	37.425	-0.056	-0.056	0.000	0.000	0.000	0.000
449	A	524	MET	0	0.021	0.029	34.890	-0.004	-0.004	0.000	0.000	0.000	0.000
450	A	525	ILE	0	0.017	0.010	40.200	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	526	ALA	0	0.013	0.008	42.082	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	527	GLU	-1	-0.788	-0.885	43.511	0.028	0.028	0.000	0.000	0.000	0.000
453	A	528	ALA	0	-0.030	-0.009	45.032	0.000	0.000	0.000	0.000	0.000	0.000
454	A	529	TRP	0	-0.016	-0.026	46.105	0.001	0.001	0.000	0.000	0.000	0.000
455	A	530	ASP	-1	-0.776	-0.888	44.277	0.040	0.040	0.000	0.000	0.000	0.000
456	A	531	CYS	0	-0.062	-0.031	46.024	-0.001	-0.001	0.000	0.000	0.000	0.000
457	A	532	ASP	-1	-0.875	-0.934	46.754	0.030	0.030	0.000	0.000	0.000	0.000
458	A	533	GLY	0	-0.031	-0.004	48.662	0.001	0.001	0.000	0.000	0.000	0.000
459	A	534	LEU	0	-0.068	-0.009	44.662	0.001	0.001	0.000	0.000	0.000	0.000
460	A	535	ASN	0	0.011	-0.016	48.532	0.001	0.001	0.000	0.000	0.000	0.000
461	A	536	GLN	0	0.043	0.022	43.682	0.001	0.001	0.000	0.000	0.000	0.000
462	A	537	VAL	0	0.022	0.016	48.636	0.002	0.002	0.000	0.000	0.000	0.000
463	A	538	GLY	0	-0.048	-0.042	50.274	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	539	ALA	0	-0.116	-0.062	48.602	0.002	0.002	0.000	0.000	0.000	0.000
465	A	540	PHE	0	0.069	0.040	40.157	0.001	0.001	0.000	0.000	0.000	0.000
466	A	541	PRO	0	0.011	-0.016	40.605	0.001	0.001	0.000	0.000	0.000	0.000
467	A	542	HIS	0	-0.007	0.013	41.140	0.005	0.005	0.000	0.000	0.000	0.000
468	A	543	TYR	0	-0.001	-0.041	37.803	-0.002	-0.002	0.000	0.000	0.000	0.000
469	A	544	GLY	0	-0.006	0.004	41.044	0.003	0.003	0.000	0.000	0.000	0.000
470	A	545	GLY	0	-0.039	-0.034	43.746	0.000	0.000	0.000	0.000	0.000	0.000
471	A	546	ARG	1	0.791	0.905	35.472	-0.104	-0.104	0.000	0.000	0.000	0.000
472	A	547	TRP	0	-0.019	-0.019	36.991	-0.004	-0.004	0.000	0.000	0.000	0.000
473	A	548	SER	0	-0.048	-0.039	42.981	0.000	0.000	0.000	0.000	0.000	0.000
474	A	549	GLU	-1	-0.737	-0.852	45.058	0.054	0.054	0.000	0.000	0.000	0.000
475	A	550	TRP	0	0.041	0.031	47.004	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	551	ASN	0	-0.006	-0.004	49.475	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	552	GLY	0	0.057	0.010	52.834	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	553	LYS	1	0.846	0.920	54.494	-0.031	-0.031	0.000	0.000	0.000	0.000
479	A	554	PHE	0	-0.025	-0.010	56.504	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	555	ARG	1	0.882	0.932	54.698	-0.024	-0.024	0.000	0.000	0.000	0.000
481	A	556	ASP	-1	-0.842	-0.904	58.484	0.021	0.021	0.000	0.000	0.000	0.000
482	A	557	VAL	0	-0.036	-0.019	60.828	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	558	VAL	0	-0.026	-0.006	61.491	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	559	ARG	1	0.828	0.906	58.958	-0.017	-0.017	0.000	0.000	0.000	0.000
485	A	560	ASN	0	-0.003	-0.007	64.314	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	561	PHE	0	0.019	0.019	66.683	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	562	ILE	0	-0.026	-0.013	66.277	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	563	LYS	1	0.853	0.938	67.448	-0.016	-0.016	0.000	0.000	0.000	0.000
489	A	564	GLY	0	-0.007	0.008	70.518	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	565	THR	0	-0.076	-0.052	69.683	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	566	ASP	-1	-0.792	-0.878	72.185	0.016	0.016	0.000	0.000	0.000	0.000
492	A	567	GLY	0	0.015	0.014	70.858	0.000	0.000	0.000	0.000	0.000	0.000
493	A	568	PRO	0	0.039	0.013	67.241	0.000	0.000	0.000	0.000	0.000	0.000
494	A	569	TRP	0	0.001	-0.004	63.908	0.002	0.002	0.000	0.000	0.000	0.000
495	A	570	ALA	0	0.053	0.043	67.633	0.001	0.001	0.000	0.000	0.000	0.000
496	A	571	GLY	0	0.061	0.019	68.572	0.001	0.001	0.000	0.000	0.000	0.000
497	A	572	ASP	-1	-0.802	-0.917	62.963	0.030	0.030	0.000	0.000	0.000	0.000
498	A	573	PHE	0	0.011	-0.005	63.640	0.001	0.001	0.000	0.000	0.000	0.000
499	A	574	ALA	0	-0.011	-0.002	64.594	0.001	0.001	0.000	0.000	0.000	0.000
500	A	575	SER	0	-0.028	-0.015	61.891	0.002	0.002	0.000	0.000	0.000	0.000
501	A	576	ALA	0	0.002	0.002	60.033	0.002	0.002	0.000	0.000	0.000	0.000
502	A	577	ILE	0	0.011	0.017	60.064	0.001	0.001	0.000	0.000	0.000	0.000
503	A	578	CYS	0	-0.068	-0.028	61.236	0.001	0.001	0.000	0.000	0.000	0.000
504	A	579	GLY	0	0.030	0.006	57.107	0.002	0.002	0.000	0.000	0.000	0.000
505	A	580	SER	0	-0.022	-0.013	56.167	0.001	0.001	0.000	0.000	0.000	0.000
506	A	581	PRO	0	0.064	0.034	56.822	0.002	0.002	0.000	0.000	0.000	0.000
507	A	582	ASN	0	-0.045	-0.037	58.016	0.002	0.002	0.000	0.000	0.000	0.000
508	A	583	ILE	0	-0.021	0.009	53.583	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	584	TYR	0	0.014	-0.014	49.833	0.001	0.001	0.000	0.000	0.000	0.000
510	A	585	ALA	0	-0.043	0.001	53.062	0.003	0.003	0.000	0.000	0.000	0.000
511	A	586	ASN	0	-0.009	-0.002	55.696	0.003	0.003	0.000	0.000	0.000	0.000
512	A	587	ASN	0	0.017	-0.017	54.796	0.002	0.002	0.000	0.000	0.000	0.000
513	A	588	THR	0	-0.054	-0.016	56.590	0.001	0.001	0.000	0.000	0.000	0.000
514	A	589	PRO	0	-0.002	-0.001	55.336	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	590	HIS	0	0.037	0.024	57.464	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	591	GLU	-1	-0.921	-0.958	58.268	0.037	0.037	0.000	0.000	0.000	0.000
517	A	592	THR	0	0.003	-0.016	58.874	0.001	0.001	0.000	0.000	0.000	0.000
518	A	593	ASP	-1	-0.891	-0.930	53.218	0.043	0.043	0.000	0.000	0.000	0.000
519	A	594	TRP	0	0.047	0.020	46.138	0.001	0.001	0.000	0.000	0.000	0.000
520	A	595	TRP	0	0.044	0.034	43.645	0.002	0.002	0.000	0.000	0.000	0.000
521	A	596	ALA	0	-0.024	-0.004	49.949	0.003	0.003	0.000	0.000	0.000	0.000
522	A	597	ASN	0	-0.067	-0.053	52.272	0.003	0.003	0.000	0.000	0.000	0.000
523	A	598	ASN	0	-0.064	-0.046	49.120	0.002	0.002	0.000	0.000	0.000	0.000
524	A	599	GLY	0	0.047	0.027	45.906	0.002	0.002	0.000	0.000	0.000	0.000
525	A	600	GLY	0	0.050	0.018	45.997	0.004	0.004	0.000	0.000	0.000	0.000
526	A	601	ARG	1	0.860	0.938	48.064	-0.055	-0.055	0.000	0.000	0.000	0.000
527	A	602	GLN	0	-0.051	-0.028	42.549	-0.003	-0.003	0.000	0.000	0.000	0.000
528	A	603	TRP	0	-0.037	-0.006	41.213	0.001	0.001	0.000	0.000	0.000	0.000
529	A	604	LYS	1	0.801	0.912	47.558	-0.053	-0.053	0.000	0.000	0.000	0.000
530	A	605	GLY	0	0.064	0.050	50.858	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	606	GLY	0	-0.045	-0.029	49.472	0.003	0.003	0.000	0.000	0.000	0.000
532	A	607	ARG	1	0.804	0.898	46.595	-0.058	-0.058	0.000	0.000	0.000	0.000
533	A	608	GLY	0	0.025	0.014	50.387	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	609	PRO	0	-0.034	-0.016	52.268	0.000	0.000	0.000	0.000	0.000	0.000
535	A	610	HIS	0	0.056	0.032	47.826	-0.004	-0.004	0.000	0.000	0.000	0.000
536	A	611	ALA	0	0.004	0.022	48.322	0.001	0.001	0.000	0.000	0.000	0.000
537	A	612	SER	0	-0.003	0.006	49.263	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	613	ILE	0	0.016	0.008	47.415	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	614	ASN	0	-0.022	-0.009	51.047	0.000	0.000	0.000	0.000	0.000	0.000
540	A	615	PHE	0	0.083	0.025	52.361	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	616	VAL	0	0.003	-0.009	55.396	0.000	0.000	0.000	0.000	0.000	0.000
542	A	617	ALA	0	-0.001	-0.021	56.495	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	618	ALA	0	0.034	0.035	51.267	0.002	0.002	0.000	0.000	0.000	0.000
544	A	619	HIS	1	0.894	0.941	47.760	-0.019	-0.019	0.000	0.000	0.000	0.000
545	A	620	ASP	-1	-0.960	-0.972	50.724	0.014	0.014	0.000	0.000	0.000	0.000
546	A	621	GLY	0	0.069	0.026	52.900	0.002	0.002	0.000	0.000	0.000	0.000
547	A	622	PHE	0	-0.120	-0.075	56.505	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	623	THR	0	0.022	0.000	57.829	0.001	0.001	0.000	0.000	0.000	0.000
549	A	624	LEU	0	0.018	-0.015	59.545	0.000	0.000	0.000	0.000	0.000	0.000
550	A	625	ALA	0	0.000	-0.006	61.780	0.000	0.000	0.000	0.000	0.000	0.000
551	A	626	ASP	-1	-0.774	-0.862	62.326	0.004	0.004	0.000	0.000	0.000	0.000
552	A	627	MET	0	-0.055	-0.018	61.717	0.000	0.000	0.000	0.000	0.000	0.000
553	A	628	VAL	0	-0.017	-0.009	64.787	0.000	0.000	0.000	0.000	0.000	0.000
554	A	629	ALA	0	-0.030	-0.022	67.510	0.000	0.000	0.000	0.000	0.000	0.000
555	A	630	TYR	0	0.022	0.017	65.795	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	631	ASN	0	-0.007	-0.004	67.300	0.002	0.002	0.000	0.000	0.000	0.000
557	A	632	ASN	0	-0.068	-0.037	65.844	0.000	0.000	0.000	0.000	0.000	0.000
558	A	633	LYS	1	0.831	0.928	59.578	-0.006	-0.006	0.000	0.000	0.000	0.000
559	A	634	HIS	1	0.800	0.892	63.168	-0.003	-0.003	0.000	0.000	0.000	0.000
560	A	635	ASN	0	0.076	0.022	58.073	0.000	0.000	0.000	0.000	0.000	0.000
561	A	636	GLU	-1	-0.892	-0.944	60.057	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	637	ALA	0	0.007	0.000	60.207	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	638	ASN	0	0.025	0.011	55.969	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	639	GLY	0	0.008	0.006	56.262	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	640	GLU	-1	-0.900	-0.947	54.112	-0.005	-0.005	0.000	0.000	0.000	0.000
566	A	641	ASN	0	-0.053	-0.046	58.282	0.002	0.002	0.000	0.000	0.000	0.000
567	A	642	ASN	0	0.037	0.018	61.050	0.001	0.001	0.000	0.000	0.000	0.000
568	A	643	ARG	1	0.948	0.987	57.542	0.004	0.004	0.000	0.000	0.000	0.000
569	A	644	ASP	-1	-0.776	-0.847	55.107	0.002	0.002	0.000	0.000	0.000	0.000
570	A	645	GLY	0	0.064	0.029	55.623	0.000	0.000	0.000	0.000	0.000	0.000
571	A	646	GLU	-1	-0.824	-0.895	56.804	0.016	0.016	0.000	0.000	0.000	0.000
572	A	647	GLN	0	0.004	-0.019	58.083	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	648	HIS	0	-0.047	-0.029	60.764	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	649	ASN	0	0.035	0.021	60.534	0.001	0.001	0.000	0.000	0.000	0.000
575	A	650	ASN	0	-0.019	0.004	61.651	0.000	0.000	0.000	0.000	0.000	0.000
576	A	651	SER	0	0.018	0.010	64.669	0.001	0.001	0.000	0.000	0.000	0.000
577	A	652	TRP	0	0.013	0.000	66.451	0.000	0.000	0.000	0.000	0.000	0.000
578	A	653	ASN	0	-0.047	-0.021	69.848	0.001	0.001	0.000	0.000	0.000	0.000
579	A	654	CYS	0	-0.019	-0.013	71.208	0.000	0.000	0.000	0.000	0.000	0.000
580	A	655	GLY	0	0.019	0.005	73.975	0.000	0.000	0.000	0.000	0.000	0.000
581	A	656	GLU	-1	-0.839	-0.880	74.898	0.003	0.003	0.000	0.000	0.000	0.000
582	A	657	GLU	-1	-0.743	-0.843	69.384	0.006	0.006	0.000	0.000	0.000	0.000
583	A	658	GLY	0	0.049	0.034	69.973	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	659	PRO	0	-0.007	-0.010	69.809	0.001	0.001	0.000	0.000	0.000	0.000
585	A	660	THR	0	0.021	-0.015	72.511	0.000	0.000	0.000	0.000	0.000	0.000
586	A	661	THR	0	-0.008	-0.005	76.149	0.000	0.000	0.000	0.000	0.000	0.000
587	A	662	LYS	1	0.854	0.917	79.077	-0.004	-0.004	0.000	0.000	0.000	0.000
588	A	663	TRP	0	0.043	0.016	78.822	0.001	0.001	0.000	0.000	0.000	0.000
589	A	664	GLU	-1	-0.905	-0.988	79.014	0.006	0.006	0.000	0.000	0.000	0.000
590	A	665	VAL	0	0.019	0.030	74.884	0.001	0.001	0.000	0.000	0.000	0.000
591	A	666	ASN	0	-0.011	-0.022	74.444	0.001	0.001	0.000	0.000	0.000	0.000
592	A	667	ARG	1	0.882	0.952	74.463	-0.006	-0.006	0.000	0.000	0.000	0.000
593	A	668	LEU	0	-0.036	-0.004	74.175	0.001	0.001	0.000	0.000	0.000	0.000
594	A	669	ARG	1	0.871	0.938	70.487	-0.005	-0.005	0.000	0.000	0.000	0.000
595	A	670	GLN	0	0.001	0.002	70.109	0.001	0.001	0.000	0.000	0.000	0.000
596	A	671	ARG	1	0.830	0.918	70.462	-0.011	-0.011	0.000	0.000	0.000	0.000
597	A	672	GLN	0	0.024	0.000	69.325	0.001	0.001	0.000	0.000	0.000	0.000
598	A	673	MET	0	-0.011	0.007	65.203	0.001	0.001	0.000	0.000	0.000	0.000
599	A	674	ARG	1	0.760	0.875	65.421	-0.010	-0.010	0.000	0.000	0.000	0.000
600	A	675	ASN	0	-0.027	-0.022	66.599	0.001	0.001	0.000	0.000	0.000	0.000
601	A	676	LEU	0	0.021	0.011	63.473	0.001	0.001	0.000	0.000	0.000	0.000
602	A	677	THR	0	0.024	0.002	61.218	0.001	0.001	0.000	0.000	0.000	0.000
603	A	678	GLY	0	0.007	0.001	62.251	0.001	0.001	0.000	0.000	0.000	0.000
604	A	679	ALA	0	0.008	-0.003	63.708	0.001	0.001	0.000	0.000	0.000	0.000
605	A	680	LEU	0	-0.060	-0.001	56.263	0.002	0.002	0.000	0.000	0.000	0.000
606	A	681	LEU	0	0.005	-0.005	57.613	0.002	0.002	0.000	0.000	0.000	0.000
607	A	682	LEU	0	-0.037	-0.019	60.219	0.001	0.001	0.000	0.000	0.000	0.000
608	A	683	SER	0	-0.001	-0.001	59.452	0.000	0.000	0.000	0.000	0.000	0.000
609	A	684	CYS	0	-0.053	-0.017	57.658	0.001	0.001	0.000	0.000	0.000	0.000
610	A	685	GLY	0	0.048	0.029	53.830	-0.001	-0.001	0.000	0.000	0.000	0.000
611	A	686	VAL	0	-0.017	-0.012	49.415	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	687	PRO	0	-0.045	-0.002	52.637	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	688	MET	0	0.029	0.013	49.529	0.001	0.001	0.000	0.000	0.000	0.000
614	A	689	ILE	0	-0.058	-0.042	52.602	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	690	ASN	0	0.006	0.006	52.535	0.000	0.000	0.000	0.000	0.000	0.000
616	A	691	MET	0	-0.016	0.012	49.759	-0.002	-0.002	0.000	0.000	0.000	0.000
617	A	692	GLY	0	0.018	0.010	53.680	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	693	ASP	-1	-0.781	-0.895	57.105	0.012	0.012	0.000	0.000	0.000	0.000
619	A	694	GLU	-1	-0.785	-0.857	56.674	0.012	0.012	0.000	0.000	0.000	0.000
620	A	695	TYR	0	-0.013	-0.015	57.861	0.000	0.000	0.000	0.000	0.000	0.000
621	A	696	GLY	0	-0.043	-0.019	62.082	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	697	HIS	0	0.011	0.034	57.431	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	698	SER	0	-0.051	-0.040	61.246	0.001	0.001	0.000	0.000	0.000	0.000
624	A	699	LYS	1	0.892	0.959	54.843	-0.008	-0.008	0.000	0.000	0.000	0.000
625	A	700	ASN	0	-0.073	-0.043	60.831	0.000	0.000	0.000	0.000	0.000	0.000
626	A	701	GLY	0	0.044	0.021	63.487	0.000	0.000	0.000	0.000	0.000	0.000
627	A	702	ASN	0	0.001	-0.003	57.971	0.002	0.002	0.000	0.000	0.000	0.000
628	A	703	ASN	0	-0.094	-0.060	58.530	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	704	ASN	0	-0.002	-0.025	53.036	0.003	0.003	0.000	0.000	0.000	0.000
630	A	705	THR	0	0.007	0.002	54.231	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	706	TYR	0	0.028	0.006	48.770	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	707	CYS	0	-0.029	-0.013	49.427	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	708	HIS	0	-0.026	-0.004	51.218	-0.003	-0.003	0.000	0.000	0.000	0.000
634	A	709	ASP	-1	-0.739	-0.807	49.998	-0.015	-0.015	0.000	0.000	0.000	0.000
635	A	710	SER	0	0.026	-0.006	51.952	-0.001	-0.001	0.000	0.000	0.000	0.000
636	A	711	GLU	-1	-0.801	-0.905	55.050	-0.005	-0.005	0.000	0.000	0.000	0.000
637	A	712	LEU	0	-0.016	0.008	56.488	0.002	0.002	0.000	0.000	0.000	0.000
638	A	713	ASN	0	-0.059	-0.026	51.915	0.004	0.004	0.000	0.000	0.000	0.000
639	A	714	TYR	0	-0.062	-0.060	51.685	0.000	0.000	0.000	0.000	0.000	0.000
640	A	715	LEU	0	0.009	0.004	53.757	0.001	0.001	0.000	0.000	0.000	0.000
641	A	716	ARG	1	0.738	0.843	55.542	0.002	0.002	0.000	0.000	0.000	0.000
642	A	717	TRP	0	0.036	-0.001	53.303	0.002	0.002	0.000	0.000	0.000	0.000
643	A	718	ASP	-1	-0.802	-0.888	59.502	-0.003	-0.003	0.000	0.000	0.000	0.000
644	A	719	GLN	0	0.001	-0.006	62.509	0.001	0.001	0.000	0.000	0.000	0.000
645	A	720	LEU	0	-0.043	-0.005	58.653	0.001	0.001	0.000	0.000	0.000	0.000
646	A	721	ALA	0	-0.045	-0.031	62.598	0.001	0.001	0.000	0.000	0.000	0.000
647	A	722	GLU	-1	-0.974	-0.973	64.522	0.001	0.001	0.000	0.000	0.000	0.000
648	A	723	ASP	-1	-0.805	-0.904	65.924	0.009	0.009	0.000	0.000	0.000	0.000
649	A	724	PRO	0	0.041	0.022	67.563	0.001	0.001	0.000	0.000	0.000	0.000
650	A	725	HIS	0	-0.024	-0.014	68.680	0.001	0.001	0.000	0.000	0.000	0.000
651	A	726	GLY	0	0.019	0.022	69.151	0.001	0.001	0.000	0.000	0.000	0.000
652	A	727	PHE	0	-0.032	-0.021	63.274	0.001	0.001	0.000	0.000	0.000	0.000
653	A	728	ASN	0	0.048	0.006	60.370	0.001	0.001	0.000	0.000	0.000	0.000
654	A	729	ARG	1	0.783	0.871	63.470	-0.011	-0.011	0.000	0.000	0.000	0.000
655	A	730	PHE	0	-0.017	-0.009	65.455	0.001	0.001	0.000	0.000	0.000	0.000
656	A	731	VAL	0	0.032	0.010	60.114	0.001	0.001	0.000	0.000	0.000	0.000
657	A	732	ARG	1	0.923	0.972	60.494	-0.011	-0.011	0.000	0.000	0.000	0.000
658	A	733	LEU	0	-0.031	-0.009	61.448	0.001	0.001	0.000	0.000	0.000	0.000
659	A	734	LEU	0	0.004	0.003	62.505	0.001	0.001	0.000	0.000	0.000	0.000
660	A	735	ILE	0	0.015	0.023	56.710	0.002	0.002	0.000	0.000	0.000	0.000
661	A	736	HIS	0	-0.068	-0.039	58.749	0.002	0.002	0.000	0.000	0.000	0.000
662	A	737	PHE	0	-0.030	-0.008	60.459	0.001	0.001	0.000	0.000	0.000	0.000
663	A	738	ARG	1	0.859	0.932	55.354	-0.032	-0.032	0.000	0.000	0.000	0.000
664	A	739	ARG	1	0.939	0.953	52.757	-0.029	-0.029	0.000	0.000	0.000	0.000
665	A	740	ALA	0	-0.042	-0.002	58.118	0.002	0.002	0.000	0.000	0.000	0.000
666	A	741	THR	0	-0.046	-0.031	60.564	0.000	0.000	0.000	0.000	0.000	0.000
667	A	742	PRO	0	0.005	-0.011	58.757	0.001	0.001	0.000	0.000	0.000	0.000
668	A	743	ALA	0	-0.010	0.004	59.101	0.001	0.001	0.000	0.000	0.000	0.000
669	A	744	LEU	0	-0.034	-0.021	59.686	0.001	0.001	0.000	0.000	0.000	0.000
670	A	745	GLN	0	-0.079	-0.030	54.941	0.001	0.001	0.000	0.000	0.000	0.000
671	A	746	ARG	1	0.808	0.896	55.805	-0.040	-0.040	0.000	0.000	0.000	0.000
672	A	747	THR	0	0.067	0.034	50.535	0.000	0.000	0.000	0.000	0.000	0.000
673	A	748	THR	0	-0.008	-0.012	53.064	0.001	0.001	0.000	0.000	0.000	0.000
674	A	749	PHE	0	0.046	0.011	54.736	-0.002	-0.002	0.000	0.000	0.000	0.000
675	A	750	VAL	0	-0.037	-0.008	58.620	0.000	0.000	0.000	0.000	0.000	0.000
676	A	751	ASN	0	0.037	0.008	62.119	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	752	ASP	-1	-0.783	-0.888	64.898	0.033	0.033	0.000	0.000	0.000	0.000
678	A	753	LYS	1	0.826	0.902	67.358	-0.035	-0.035	0.000	0.000	0.000	0.000
679	A	754	ASP	-1	-0.804	-0.867	63.369	0.039	0.039	0.000	0.000	0.000	0.000
680	A	755	ILE	0	-0.018	-0.015	65.386	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	756	GLN	0	-0.030	-0.014	68.000	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	757	TRP	0	0.039	0.014	66.097	-0.001	-0.001	0.000	0.000	0.000	0.000
683	A	758	HIS	0	-0.011	-0.011	72.511	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	759	GLY	0	0.060	0.026	75.381	0.000	0.000	0.000	0.000	0.000	0.000
685	A	760	GLU	-1	-0.904	-0.953	78.068	0.016	0.016	0.000	0.000	0.000	0.000
686	A	761	LEU	0	0.019	0.024	81.242	0.000	0.000	0.000	0.000	0.000	0.000
687	A	762	PRO	0	0.024	-0.001	79.025	0.001	0.001	0.000	0.000	0.000	0.000
688	A	763	ASN	0	-0.039	-0.039	76.949	0.000	0.000	0.000	0.000	0.000	0.000
689	A	764	THR	0	-0.065	-0.020	78.037	0.000	0.000	0.000	0.000	0.000	0.000
690	A	765	PRO	0	-0.018	0.006	74.227	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	766	ASP	-1	-0.796	-0.883	75.893	0.019	0.019	0.000	0.000	0.000	0.000
692	A	767	TRP	0	-0.042	-0.025	70.246	0.000	0.000	0.000	0.000	0.000	0.000
693	A	768	THR	0	-0.052	-0.045	73.722	0.000	0.000	0.000	0.000	0.000	0.000
694	A	769	ASP	-1	-0.884	-0.947	74.035	0.020	0.020	0.000	0.000	0.000	0.000
695	A	770	THR	0	0.005	0.005	75.136	0.000	0.000	0.000	0.000	0.000	0.000
696	A	771	SER	0	-0.077	-0.024	74.262	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	772	ARG	1	0.792	0.862	74.697	-0.016	-0.016	0.000	0.000	0.000	0.000
698	A	773	LEU	0	-0.049	-0.020	74.612	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	774	VAL	0	0.026	0.040	68.872	0.001	0.001	0.000	0.000	0.000	0.000
700	A	775	ALA	0	0.018	0.006	71.958	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	776	PHE	0	-0.002	-0.008	66.057	0.001	0.001	0.000	0.000	0.000	0.000
702	A	777	THR	0	-0.011	0.001	71.253	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	778	LEU	0	-0.011	-0.004	63.581	0.001	0.001	0.000	0.000	0.000	0.000
704	A	779	HIS	0	-0.024	-0.008	67.681	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	780	ASP	-1	-0.794	-0.903	65.519	0.030	0.030	0.000	0.000	0.000	0.000
706	A	781	GLY	0	-0.023	-0.006	65.485	0.001	0.001	0.000	0.000	0.000	0.000
707	A	782	LYS	1	0.888	0.925	65.243	-0.033	-0.033	0.000	0.000	0.000	0.000
708	A	783	GLY	0	-0.040	-0.011	68.943	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	784	GLY	0	-0.035	-0.014	70.609	-0.001	-0.001	0.000	0.000	0.000	0.000
710	A	785	GLY	0	0.062	0.019	68.915	0.001	0.001	0.000	0.000	0.000	0.000
711	A	786	LEU	0	-0.059	-0.032	66.218	-0.001	-0.001	0.000	0.000	0.000	0.000
712	A	787	TYR	0	0.035	0.019	70.398	0.001	0.001	0.000	0.000	0.000	0.000
713	A	788	VAL	0	0.007	0.019	67.673	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	789	ALA	0	0.000	-0.001	71.022	0.000	0.000	0.000	0.000	0.000	0.000
715	A	790	PHE	0	0.013	-0.001	66.356	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	791	ASN	0	0.001	-0.009	72.094	0.001	0.001	0.000	0.000	0.000	0.000
717	A	792	THR	0	0.010	-0.002	71.029	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	793	SER	0	-0.001	0.014	74.287	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	794	HIS	0	0.063	0.026	77.873	0.000	0.000	0.000	0.000	0.000	0.000
720	A	795	LEU	0	-0.052	-0.033	79.969	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	796	PRO	0	-0.018	-0.010	81.005	0.000	0.000	0.000	0.000	0.000	0.000
722	A	797	LYS	1	0.887	0.939	78.711	-0.016	-0.016	0.000	0.000	0.000	0.000
723	A	798	LEU	0	-0.020	-0.007	82.765	0.000	0.000	0.000	0.000	0.000	0.000
724	A	799	LEU	0	-0.021	-0.006	77.545	0.000	0.000	0.000	0.000	0.000	0.000
725	A	800	GLN	0	0.051	0.021	81.725	0.000	0.000	0.000	0.000	0.000	0.000
726	A	801	LEU	0	-0.053	-0.021	77.979	0.001	0.001	0.000	0.000	0.000	0.000
727	A	802	PRO	0	0.041	0.017	76.540	0.000	0.000	0.000	0.000	0.000	0.000
728	A	803	LYS	1	0.849	0.925	79.601	-0.019	-0.019	0.000	0.000	0.000	0.000
729	A	804	TRP	0	-0.010	-0.006	71.738	0.000	0.000	0.000	0.000	0.000	0.000
730	A	805	GLY	0	0.025	-0.004	79.470	0.000	0.000	0.000	0.000	0.000	0.000
731	A	806	GLY	0	0.029	0.014	80.523	0.001	0.001	0.000	0.000	0.000	0.000
732	A	807	ARG	1	0.848	0.925	73.509	-0.024	-0.024	0.000	0.000	0.000	0.000
733	A	808	VAL	0	0.020	0.009	79.346	0.000	0.000	0.000	0.000	0.000	0.000
734	A	809	TRP	0	-0.028	-0.001	73.180	0.001	0.001	0.000	0.000	0.000	0.000
735	A	810	GLN	0	0.023	-0.006	75.850	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	811	PRO	0	0.042	0.026	75.381	0.001	0.001	0.000	0.000	0.000	0.000
737	A	812	LEU	0	-0.020	0.003	68.442	0.000	0.000	0.000	0.000	0.000	0.000
738	A	813	VAL	0	0.025	0.037	68.415	-0.001	-0.001	0.000	0.000	0.000	0.000
739	A	814	ASP	-1	-0.726	-0.830	71.827	0.014	0.014	0.000	0.000	0.000	0.000
740	A	815	THR	0	-0.009	-0.018	70.282	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	816	SER	0	-0.057	-0.052	73.310	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	817	LYS	1	0.789	0.900	76.051	-0.014	-0.014	0.000	0.000	0.000	0.000
743	A	818	VAL	0	0.017	0.010	75.356	0.000	0.000	0.000	0.000	0.000	0.000
744	A	819	ALA	0	0.015	0.042	72.262	0.000	0.000	0.000	0.000	0.000	0.000
745	A	820	PRO	0	-0.001	-0.011	72.853	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	821	TYR	0	-0.004	-0.038	73.608	0.001	0.001	0.000	0.000	0.000	0.000
747	A	822	ASP	-1	-0.797	-0.881	70.814	0.013	0.013	0.000	0.000	0.000	0.000
748	A	823	PHE	0	0.031	-0.007	66.275	0.001	0.001	0.000	0.000	0.000	0.000
749	A	824	LEU	0	-0.031	-0.014	71.217	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	825	ALA	0	0.006	0.000	68.368	0.001	0.001	0.000	0.000	0.000	0.000
751	A	826	VAL	0	-0.020	-0.020	70.041	-0.001	-0.001	0.000	0.000	0.000	0.000
752	A	827	ASP	-1	-0.779	-0.881	67.306	0.013	0.013	0.000	0.000	0.000	0.000
753	A	828	GLY	0	-0.031	-0.008	68.147	0.000	0.000	0.000	0.000	0.000	0.000
754	A	829	VAL	0	-0.045	-0.013	69.704	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	830	LEU	0	-0.054	-0.005	72.060	0.000	0.000	0.000	0.000	0.000	0.000
756	A	831	SER	0	0.030	-0.019	72.738	0.001	0.001	0.000	0.000	0.000	0.000
757	A	832	ALA	0	0.046	-0.008	74.076	0.000	0.000	0.000	0.000	0.000	0.000
758	A	833	GLU	-1	-0.928	-0.976	75.398	0.013	0.013	0.000	0.000	0.000	0.000
759	A	834	ASP	-1	-0.821	-0.877	76.963	0.010	0.010	0.000	0.000	0.000	0.000
760	A	835	VAL	0	0.018	0.013	73.391	0.000	0.000	0.000	0.000	0.000	0.000
761	A	836	ALA	0	-0.019	-0.006	76.820	0.000	0.000	0.000	0.000	0.000	0.000
762	A	837	ALA	0	-0.042	-0.035	79.368	0.000	0.000	0.000	0.000	0.000	0.000
763	A	838	ALA	0	-0.001	0.000	78.530	0.000	0.000	0.000	0.000	0.000	0.000
764	A	839	ARG	1	0.842	0.907	72.799	-0.018	-0.018	0.000	0.000	0.000	0.000
765	A	840	ARG	1	0.844	0.920	80.264	-0.013	-0.013	0.000	0.000	0.000	0.000
766	A	841	GLN	0	-0.024	0.000	83.367	0.000	0.000	0.000	0.000	0.000	0.000
767	A	842	MET	0	-0.005	0.000	81.406	0.000	0.000	0.000	0.000	0.000	0.000
768	A	843	ALA	0	0.006	0.004	84.163	0.000	0.000	0.000	0.000	0.000	0.000
769	A	844	MET	0	-0.006	-0.011	85.261	0.000	0.000	0.000	0.000	0.000	0.000
770	A	845	TRP	0	0.018	0.017	84.755	0.000	0.000	0.000	0.000	0.000	0.000
771	A	846	THR	0	0.017	-0.005	80.606	0.000	0.000	0.000	0.000	0.000	0.000
772	A	847	ALA	0	-0.026	0.001	83.291	0.001	0.001	0.000	0.000	0.000	0.000
773	A	848	ASP	-1	-0.902	-0.945	85.785	0.015	0.015	0.000	0.000	0.000	0.000
774	A	849	HIS	0	-0.149	-0.079	80.607	0.000	0.000	0.000	0.000	0.000	0.000
775	A	850	THR	0	-0.002	0.009	83.870	0.000	0.000	0.000	0.000	0.000	0.000
776	A	851	TYR	0	-0.041	-0.058	78.492	0.000	0.000	0.000	0.000	0.000	0.000
777	A	852	PRO	0	-0.016	0.020	81.917	0.000	0.000	0.000	0.000	0.000	0.000
778	A	853	VAL	0	-0.002	-0.007	77.477	0.000	0.000	0.000	0.000	0.000	0.000
779	A	854	LEU	0	0.020	0.016	78.423	0.000	0.000	0.000	0.000	0.000	0.000
780	A	855	PRO	0	0.012	0.038	78.269	0.001	0.001	0.000	0.000	0.000	0.000
781	A	856	TRP	0	0.045	0.025	73.417	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	857	SER	0	-0.064	-0.034	73.878	0.000	0.000	0.000	0.000	0.000	0.000
783	A	858	CYS	0	0.011	0.011	69.847	0.001	0.001	0.000	0.000	0.000	0.000
784	A	859	ILE	0	-0.011	0.005	72.400	-0.001	-0.001	0.000	0.000	0.000	0.000
785	A	860	VAL	0	0.022	0.004	68.114	0.001	0.001	0.000	0.000	0.000	0.000
786	A	861	LEU	0	-0.031	-0.019	71.450	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	862	GLN	0	0.075	0.030	69.258	0.000	0.000	0.000	0.000	0.000	0.000
788	A	863	SER	0	0.006	0.029	72.916	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	864	ALA	0	-0.001	0.002	74.178	0.001	0.001	0.000	0.000	0.000	0.000
790	A	865	PRO	0	0.010	-0.004	76.084	0.000	0.000	0.000	0.000	0.000	0.000
791	A	866	GLU	-1	-0.911	-0.952	79.182	0.018	0.018	0.000	0.000	0.000	0.000
792	A	867	ASP	-1	-0.847	-0.928	82.816	0.016	0.016	0.000	0.000	0.000	0.000
793	A	868	PRO	0	-0.014	-0.017	84.715	0.000	0.000	0.000	0.000	0.000	0.000
794	A	869	ALA	0	0.013	0.015	87.158	-0.001	-0.001	0.000	0.000	0.000	0.000
795	A	870	ALA	0	0.005	0.021	84.744	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	871	THR	0	0.017	0.016	86.558	0.000	0.000	0.000	0.000	0.000	0.000
797	A	872	SER	0	-0.058	-0.029	89.703	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	873	MET	0	0.026	0.002	90.016	0.000	0.000	0.000	0.000	0.000	0.000
799	A	874	ILE	0	-0.011	-0.009	85.349	0.000	0.000	0.000	0.000	0.000	0.000
800	A	875	LYS	1	0.941	0.993	82.112	-0.012	-0.012	0.000	0.000	0.000	0.000

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