FMO DATABASE

FMODB ID: YNY82

Calculation Name: 3SYJ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3SYJ

Chain ID: A

ChEMBL ID:

UniProt ID: P45387

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	919
LigandCharge	DLY=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24344160.926894
FMO2-HF: Nuclear repulsion	23989093.412976
FMO2-HF: Total energy	-355067.513918
FMO2-MP2: Total energy	-356119.039858

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:26:GLY)

Summations of interaction energy for fragment #1(A:26:GLY)

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.
-6.636	-1.675	16.634	-10.105	-11.492	-0.054

Interaction energy analysis for fragmet #1(A:26:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.045 / q_NPA : 0.026

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	28	THR	0	0.019	0.001	3.880	0.639	2.219	-0.009	-0.840	-0.730	0.003
4	A	29	TYR	0	-0.023	-0.036	6.630	0.049	0.049	0.000	0.000	0.000	0.000
5	A	30	PHE	0	0.027	0.006	10.475	0.082	0.082	0.000	0.000	0.000	0.000
6	A	31	GLY	0	0.050	0.035	12.622	0.099	0.099	0.000	0.000	0.000	0.000
7	A	32	ILE	0	-0.045	-0.020	12.591	0.116	0.116	0.000	0.000	0.000	0.000
8	A	33	ASP	-1	-0.855	-0.933	13.128	-0.579	-0.579	0.000	0.000	0.000	0.000
9	A	34	TYR	0	0.017	-0.006	4.344	0.508	0.564	-0.001	-0.007	-0.048	0.000
10	A	35	GLN	0	-0.037	-0.031	10.024	-0.039	-0.039	0.000	0.000	0.000	0.000
11	A	36	TYR	0	0.009	0.012	12.355	0.120	0.120	0.000	0.000	0.000	0.000
12	A	37	TYR	0	0.031	0.003	6.992	-0.030	-0.030	0.000	0.000	0.000	0.000
13	A	38	ARG	1	0.772	0.870	7.476	0.393	0.393	0.000	0.000	0.000	0.000
14	A	39	ASP	-1	-0.746	-0.865	9.894	-0.035	-0.035	0.000	0.000	0.000	0.000
15	A	40	PHE	0	-0.021	-0.009	10.435	0.084	0.084	0.000	0.000	0.000	0.000
16	A	41	ALA	0	-0.011	-0.013	8.767	0.111	0.111	0.000	0.000	0.000	0.000
17	A	42	GLU	-1	-0.809	-0.885	10.768	0.376	0.376	0.000	0.000	0.000	0.000
18	A	43	ASN	0	-0.068	-0.032	13.706	0.028	0.028	0.000	0.000	0.000	0.000
19	A	44	LYS	1	0.835	0.919	15.704	-0.019	-0.019	0.000	0.000	0.000	0.000
20	A	45	GLY	0	0.035	0.005	17.249	-0.017	-0.017	0.000	0.000	0.000	0.000
21	A	46	LYS	1	0.923	0.952	18.247	0.121	0.121	0.000	0.000	0.000	0.000
22	A	47	PHE	0	0.001	0.006	14.743	0.001	0.001	0.000	0.000	0.000	0.000
23	A	48	THR	0	0.041	0.036	17.457	0.035	0.035	0.000	0.000	0.000	0.000
24	A	49	VAL	0	0.006	-0.014	19.271	-0.007	-0.007	0.000	0.000	0.000	0.000
25	A	50	GLY	0	-0.009	0.001	20.839	-0.016	-0.016	0.000	0.000	0.000	0.000
26	A	51	ALA	0	-0.025	0.003	20.829	-0.012	-0.012	0.000	0.000	0.000	0.000
27	A	52	GLN	0	0.019	-0.010	21.594	0.010	0.010	0.000	0.000	0.000	0.000
28	A	53	ASN	0	-0.049	-0.033	22.496	-0.017	-0.017	0.000	0.000	0.000	0.000
29	A	54	ILE	0	0.010	0.024	18.129	-0.014	-0.014	0.000	0.000	0.000	0.000
30	A	55	LYS	1	0.895	0.945	19.455	0.085	0.085	0.000	0.000	0.000	0.000
31	A	56	VAL	0	0.007	0.002	14.946	-0.005	-0.005	0.000	0.000	0.000	0.000
32	A	57	TYR	0	-0.015	-0.017	18.244	0.026	0.026	0.000	0.000	0.000	0.000
33	A	58	ASN	0	0.019	0.004	17.427	-0.025	-0.025	0.000	0.000	0.000	0.000
34	A	59	LYS	1	0.847	0.918	13.854	0.799	0.799	0.000	0.000	0.000	0.000
35	A	60	GLN	0	-0.032	-0.006	19.815	0.017	0.017	0.000	0.000	0.000	0.000
36	A	61	GLY	0	0.018	0.015	22.085	0.029	0.029	0.000	0.000	0.000	0.000
37	A	62	GLN	0	-0.009	0.001	22.444	0.008	0.008	0.000	0.000	0.000	0.000
38	A	63	LEU	0	-0.044	-0.027	21.302	-0.022	-0.022	0.000	0.000	0.000	0.000
39	A	64	VAL	0	0.013	0.014	15.944	0.011	0.011	0.000	0.000	0.000	0.000
40	A	65	GLY	0	0.027	0.007	19.345	0.015	0.015	0.000	0.000	0.000	0.000
41	A	66	THR	0	-0.101	-0.054	20.018	0.001	0.001	0.000	0.000	0.000	0.000
42	A	67	SER	0	0.018	0.015	15.778	0.013	0.013	0.000	0.000	0.000	0.000
43	A	68	MET	0	-0.003	0.010	15.455	0.012	0.012	0.000	0.000	0.000	0.000
44	A	69	THR	0	-0.023	-0.018	19.628	-0.011	-0.011	0.000	0.000	0.000	0.000
45	A	70	LYS	1	0.880	0.933	22.049	-0.011	-0.011	0.000	0.000	0.000	0.000
46	A	71	ALA	0	0.033	0.020	20.219	0.013	0.013	0.000	0.000	0.000	0.000
47	A	72	PRO	0	0.000	0.010	21.550	-0.014	-0.014	0.000	0.000	0.000	0.000
48	A	73	MET	0	-0.061	-0.009	14.040	0.015	0.015	0.000	0.000	0.000	0.000
49	A	74	ILE	0	0.025	0.026	14.336	-0.003	-0.003	0.000	0.000	0.000	0.000
50	A	75	ASP	-1	-0.729	-0.810	17.475	0.232	0.232	0.000	0.000	0.000	0.000
51	A	76	PHE	0	0.046	-0.001	11.529	0.069	0.069	0.000	0.000	0.000	0.000
52	A	77	SER	0	-0.072	-0.056	15.429	0.049	0.049	0.000	0.000	0.000	0.000
53	A	78	VAL	0	0.005	0.010	16.666	0.010	0.010	0.000	0.000	0.000	0.000
54	A	79	VAL	0	-0.035	-0.019	11.616	0.050	0.050	0.000	0.000	0.000	0.000
55	A	80	SER	0	-0.004	-0.003	14.299	-0.042	-0.042	0.000	0.000	0.000	0.000
56	A	81	ARG	1	0.817	0.885	12.855	-0.235	-0.235	0.000	0.000	0.000	0.000
57	A	82	ASN	0	0.035	0.027	11.599	0.143	0.143	0.000	0.000	0.000	0.000
58	A	83	GLY	0	0.019	0.016	9.299	0.279	0.279	0.000	0.000	0.000	0.000
59	A	84	VAL	0	-0.015	-0.009	10.323	0.210	0.210	0.000	0.000	0.000	0.000
60	A	85	ALA	0	0.010	0.024	11.707	-0.114	-0.114	0.000	0.000	0.000	0.000
61	A	86	ALA	0	0.009	0.002	14.514	0.023	0.023	0.000	0.000	0.000	0.000
62	A	87	LEU	0	-0.009	0.000	16.522	-0.026	-0.026	0.000	0.000	0.000	0.000
63	A	88	VAL	0	-0.031	-0.027	19.914	-0.008	-0.008	0.000	0.000	0.000	0.000
64	A	89	GLU	-1	-0.819	-0.902	22.311	0.192	0.192	0.000	0.000	0.000	0.000
65	A	90	ASN	0	-0.029	-0.033	25.157	0.018	0.018	0.000	0.000	0.000	0.000
66	A	91	GLN	0	-0.032	-0.016	26.753	-0.013	-0.013	0.000	0.000	0.000	0.000
67	A	92	TYR	0	-0.028	-0.041	24.596	0.003	0.003	0.000	0.000	0.000	0.000
68	A	93	ILE	0	0.023	0.012	18.681	0.015	0.015	0.000	0.000	0.000	0.000
69	A	94	VAL	0	-0.028	-0.003	17.000	-0.037	-0.037	0.000	0.000	0.000	0.000
70	A	95	SER	0	0.024	-0.007	14.395	0.089	0.089	0.000	0.000	0.000	0.000
71	A	96	VAL	0	0.000	-0.003	13.413	-0.080	-0.080	0.000	0.000	0.000	0.000
72	A	97	ALA	0	0.000	0.007	16.276	0.003	0.003	0.000	0.000	0.000	0.000
73	A	98	HIS	0	-0.024	-0.035	13.317	0.080	0.080	0.000	0.000	0.000	0.000
74	A	99	ASN	0	-0.046	-0.010	12.724	0.013	0.013	0.000	0.000	0.000	0.000
75	A	100	VAL	0	-0.005	-0.024	16.434	-0.041	-0.041	0.000	0.000	0.000	0.000
76	A	101	GLY	0	-0.028	-0.014	18.066	-0.053	-0.053	0.000	0.000	0.000	0.000
77	A	102	TYR	0	-0.023	-0.015	16.199	-0.029	-0.029	0.000	0.000	0.000	0.000
78	A	103	THR	0	0.028	-0.012	18.331	-0.013	-0.013	0.000	0.000	0.000	0.000
79	A	104	ASP	-1	-0.910	-0.932	19.950	0.314	0.314	0.000	0.000	0.000	0.000
80	A	105	VAL	0	-0.021	-0.007	16.798	0.074	0.074	0.000	0.000	0.000	0.000
81	A	106	ASP	-1	-0.792	-0.888	17.115	0.354	0.354	0.000	0.000	0.000	0.000
82	A	107	PHE	0	0.035	0.012	17.364	0.063	0.063	0.000	0.000	0.000	0.000
83	A	108	GLY	0	0.041	0.017	18.205	-0.044	-0.044	0.000	0.000	0.000	0.000
84	A	109	ALA	0	-0.020	-0.005	16.945	0.041	0.041	0.000	0.000	0.000	0.000
85	A	110	GLU	-1	-0.741	-0.848	13.295	-0.010	-0.010	0.000	0.000	0.000	0.000
86	A	111	GLY	0	-0.004	-0.009	15.919	-0.033	-0.033	0.000	0.000	0.000	0.000
87	A	112	ASN	0	-0.049	-0.030	18.763	0.050	0.050	0.000	0.000	0.000	0.000
88	A	113	ASN	0	0.030	0.024	21.663	-0.007	-0.007	0.000	0.000	0.000	0.000
89	A	114	PRO	0	0.044	0.029	24.535	0.016	0.016	0.000	0.000	0.000	0.000
90	A	115	ASP	-1	-0.750	-0.863	27.096	0.057	0.057	0.000	0.000	0.000	0.000
91	A	116	GLN	0	-0.034	-0.014	20.745	0.030	0.030	0.000	0.000	0.000	0.000
92	A	117	HIS	1	0.752	0.857	25.735	-0.085	-0.085	0.000	0.000	0.000	0.000
93	A	118	ARG	1	0.816	0.919	18.274	-0.230	-0.230	0.000	0.000	0.000	0.000
94	A	119	PHE	0	0.021	0.009	23.389	-0.009	-0.009	0.000	0.000	0.000	0.000
95	A	120	THR	0	-0.006	0.003	22.061	0.017	0.017	0.000	0.000	0.000	0.000
96	A	121	TYR	0	-0.056	-0.061	22.561	-0.028	-0.028	0.000	0.000	0.000	0.000
97	A	122	LYS	1	0.944	0.961	22.751	-0.165	-0.165	0.000	0.000	0.000	0.000
98	A	123	ILE	0	-0.012	-0.003	20.210	-0.015	-0.015	0.000	0.000	0.000	0.000
99	A	124	VAL	0	-0.023	-0.011	24.751	-0.018	-0.018	0.000	0.000	0.000	0.000
100	A	125	LYS	1	0.853	0.915	27.032	-0.230	-0.230	0.000	0.000	0.000	0.000
101	A	126	ARG	1	0.833	0.902	20.196	-0.382	-0.382	0.000	0.000	0.000	0.000
102	A	127	ASN	0	-0.012	-0.007	24.031	0.002	0.002	0.000	0.000	0.000	0.000
103	A	128	ASN	0	0.002	-0.008	22.777	0.051	0.051	0.000	0.000	0.000	0.000
104	A	129	TYR	0	0.015	0.016	23.541	-0.030	-0.030	0.000	0.000	0.000	0.000
105	A	130	LYS	1	0.878	0.944	25.207	-0.187	-0.187	0.000	0.000	0.000	0.000
106	A	131	LYS	1	0.857	0.915	25.050	-0.231	-0.231	0.000	0.000	0.000	0.000
107	A	132	ASP	-1	-0.840	-0.916	28.257	0.165	0.165	0.000	0.000	0.000	0.000
108	A	133	ASN	0	0.015	-0.002	31.789	0.001	0.001	0.000	0.000	0.000	0.000
109	A	134	LEU	0	-0.014	0.005	33.836	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	135	HIS	1	0.715	0.830	28.808	-0.185	-0.185	0.000	0.000	0.000	0.000
111	A	136	PRO	0	0.074	0.027	28.579	0.011	0.011	0.000	0.000	0.000	0.000
112	A	137	TYR	0	-0.032	-0.026	23.446	0.003	0.003	0.000	0.000	0.000	0.000
113	A	138	GLU	-1	-0.836	-0.910	20.597	0.259	0.259	0.000	0.000	0.000	0.000
114	A	139	ASP	-1	-0.736	-0.844	22.057	0.317	0.317	0.000	0.000	0.000	0.000
115	A	140	ASP	-1	-0.799	-0.848	16.796	0.594	0.594	0.000	0.000	0.000	0.000
116	A	141	TYR	0	-0.051	-0.035	17.840	0.076	0.076	0.000	0.000	0.000	0.000
117	A	142	HIS	0	-0.017	0.003	18.947	-0.004	-0.004	0.000	0.000	0.000	0.000
118	A	143	ASN	0	0.051	0.017	20.450	0.032	0.032	0.000	0.000	0.000	0.000
119	A	144	PRO	0	-0.002	0.010	20.539	-0.042	-0.042	0.000	0.000	0.000	0.000
120	A	145	ARG	1	0.787	0.911	23.701	-0.187	-0.187	0.000	0.000	0.000	0.000
121	A	146	LEU	0	-0.030	-0.020	22.251	0.006	0.006	0.000	0.000	0.000	0.000
122	A	147	HIS	0	-0.005	-0.009	26.386	-0.005	-0.005	0.000	0.000	0.000	0.000
123	A	148	LYS	1	0.751	0.866	28.116	-0.167	-0.167	0.000	0.000	0.000	0.000
124	A	149	PHE	0	-0.006	-0.001	27.853	0.020	0.020	0.000	0.000	0.000	0.000
125	A	150	VAL	0	-0.005	-0.001	23.014	-0.009	-0.009	0.000	0.000	0.000	0.000
126	A	151	THR	0	-0.028	-0.017	26.355	-0.003	-0.003	0.000	0.000	0.000	0.000
127	A	152	GLU	-1	-0.750	-0.853	23.260	0.203	0.203	0.000	0.000	0.000	0.000
128	A	153	ALA	0	-0.002	-0.008	21.621	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	154	ALA	0	-0.006	0.003	23.248	-0.017	-0.017	0.000	0.000	0.000	0.000
130	A	155	PRO	0	0.009	0.007	22.686	0.024	0.024	0.000	0.000	0.000	0.000
131	A	156	ILE	0	-0.035	-0.007	18.325	-0.018	-0.018	0.000	0.000	0.000	0.000
132	A	157	ASP	-1	-0.836	-0.913	21.973	0.237	0.237	0.000	0.000	0.000	0.000
133	A	158	MET	0	-0.031	-0.005	21.291	0.017	0.017	0.000	0.000	0.000	0.000
134	A	159	THR	0	-0.003	0.012	20.756	-0.021	-0.021	0.000	0.000	0.000	0.000
135	A	160	SER	0	0.009	-0.003	23.086	0.014	0.014	0.000	0.000	0.000	0.000
136	A	161	ASN	0	0.005	0.018	25.133	-0.008	-0.008	0.000	0.000	0.000	0.000
137	A	162	MET	0	0.077	0.059	22.569	0.021	0.021	0.000	0.000	0.000	0.000
138	A	163	ASN	0	0.038	0.030	24.250	0.015	0.015	0.000	0.000	0.000	0.000
139	A	164	GLY	0	0.048	0.020	21.328	-0.003	-0.003	0.000	0.000	0.000	0.000
140	A	165	SER	0	-0.010	-0.028	21.807	0.001	0.001	0.000	0.000	0.000	0.000
141	A	166	THR	0	-0.088	-0.045	24.115	-0.021	-0.021	0.000	0.000	0.000	0.000
142	A	167	TYR	0	-0.018	-0.035	19.985	-0.007	-0.007	0.000	0.000	0.000	0.000
143	A	168	SER	0	-0.031	-0.028	20.828	0.000	0.000	0.000	0.000	0.000	0.000
144	A	169	ASP	-1	-0.788	-0.869	22.068	0.069	0.069	0.000	0.000	0.000	0.000
145	A	170	ARG	1	0.829	0.913	19.416	-0.031	-0.031	0.000	0.000	0.000	0.000
146	A	171	THR	0	-0.023	-0.022	23.212	-0.013	-0.013	0.000	0.000	0.000	0.000
147	A	172	LYS	1	0.823	0.907	26.036	-0.127	-0.127	0.000	0.000	0.000	0.000
148	A	173	TYR	0	-0.057	-0.048	20.906	0.014	0.014	0.000	0.000	0.000	0.000
149	A	174	PRO	0	0.025	0.019	20.854	0.005	0.005	0.000	0.000	0.000	0.000
150	A	175	GLU	-1	-0.812	-0.900	17.905	0.026	0.026	0.000	0.000	0.000	0.000
151	A	176	ARG	1	0.893	0.932	13.933	-0.249	-0.249	0.000	0.000	0.000	0.000
152	A	177	VAL	0	0.000	0.009	11.444	-0.055	-0.055	0.000	0.000	0.000	0.000
153	A	178	ARG	1	0.796	0.901	3.073	-6.247	-5.966	0.047	-0.129	-0.199	0.000
154	A	179	ILE	0	0.025	0.019	6.992	-0.198	-0.198	0.000	0.000	0.000	0.000
155	A	180	GLY	0	-0.002	-0.009	6.216	0.148	0.148	0.000	0.000	0.000	0.000
156	A	181	SER	0	0.020	0.002	5.086	-0.196	-0.196	0.000	0.000	0.000	0.000
157	A	182	GLY	0	0.004	0.018	3.585	-2.340	-1.911	0.057	-0.207	-0.279	0.001
158	A	183	ARG	1	0.897	0.935	3.180	-2.817	-1.457	0.305	-0.779	-0.887	-0.004
159	A	184	GLN	0	0.030	0.069	1.966	-11.841	-14.435	13.123	-5.557	-4.971	-0.034
160	A	185	PHE	0	-0.017	-0.026	3.197	3.381	3.348	0.020	0.476	-0.463	0.000
161	A	186	TRP	0	0.037	0.035	5.500	-0.822	-0.822	0.000	0.000	0.000	0.000
162	A	187	ARG	1	0.814	0.891	7.451	1.594	1.594	0.000	0.000	0.000	0.000
163	A	188	ASN	0	0.070	0.030	10.690	0.071	0.071	0.000	0.000	0.000	0.000
164	A	189	ASP	-1	-0.756	-0.877	14.406	-0.552	-0.552	0.000	0.000	0.000	0.000
165	A	190	GLN	0	-0.052	-0.011	17.055	0.039	0.039	0.000	0.000	0.000	0.000
166	A	191	ASP	-1	-0.845	-0.920	12.085	-0.787	-0.787	0.000	0.000	0.000	0.000
167	A	192	LYS	1	0.880	0.953	13.093	0.433	0.433	0.000	0.000	0.000	0.000
168	A	193	GLY	0	0.015	0.005	10.041	-0.076	-0.076	0.000	0.000	0.000	0.000
169	A	194	ASP	-1	-0.779	-0.884	9.766	-0.766	-0.766	0.000	0.000	0.000	0.000
170	A	195	GLN	0	-0.006	-0.001	6.339	-0.132	-0.132	0.000	0.000	0.000	0.000
171	A	196	VAL	0	0.042	0.019	6.451	0.259	0.259	0.000	0.000	0.000	0.000
172	A	197	ALA	0	0.014	0.012	6.630	0.371	0.371	0.000	0.000	0.000	0.000
173	A	198	GLY	0	0.006	0.004	6.132	-0.423	-0.423	0.000	0.000	0.000	0.000
174	A	199	ALA	0	-0.029	-0.017	5.809	-0.020	-0.020	0.000	0.000	0.000	0.000
175	A	200	TYR	0	-0.071	-0.046	6.777	-0.520	-0.520	0.000	0.000	0.000	0.000
176	A	201	HIS	0	-0.024	-0.001	7.956	-0.322	-0.322	0.000	0.000	0.000	0.000
177	A	202	TYR	0	-0.004	-0.022	5.709	0.031	0.031	0.000	0.000	0.000	0.000
178	A	203	LEU	0	0.009	0.020	6.623	0.487	0.487	0.000	0.000	0.000	0.000
179	A	204	THR	0	-0.047	-0.047	2.815	0.312	0.842	0.041	-0.234	-0.338	-0.001
180	A	205	ALA	0	-0.020	-0.011	5.776	0.928	0.928	0.000	0.000	0.000	0.000
181	A	206	GLY	0	0.065	0.032	7.177	-0.420	-0.420	0.000	0.000	0.000	0.000
182	A	207	ASN	0	0.009	0.009	9.171	0.156	0.156	0.000	0.000	0.000	0.000
183	A	208	THR	0	0.005	-0.009	9.501	-0.014	-0.014	0.000	0.000	0.000	0.000
184	A	209	HIS	0	-0.033	-0.006	7.944	-0.016	-0.016	0.000	0.000	0.000	0.000
185	A	210	ASN	0	0.063	0.030	11.765	0.053	0.053	0.000	0.000	0.000	0.000
186	A	211	GLN	0	0.008	0.012	15.012	0.035	0.035	0.000	0.000	0.000	0.000
187	A	212	ARG	1	0.789	0.859	14.409	-0.060	-0.060	0.000	0.000	0.000	0.000
188	A	213	GLY	0	0.052	0.035	17.898	-0.012	-0.012	0.000	0.000	0.000	0.000
189	A	214	ALA	0	-0.039	-0.014	18.462	0.039	0.039	0.000	0.000	0.000	0.000
190	A	215	GLY	0	0.062	0.029	20.728	-0.025	-0.025	0.000	0.000	0.000	0.000
191	A	216	ASN	0	0.038	0.037	22.960	0.025	0.025	0.000	0.000	0.000	0.000
192	A	217	GLY	0	0.041	0.016	22.363	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	218	TYR	0	-0.082	-0.028	17.968	0.048	0.048	0.000	0.000	0.000	0.000
194	A	219	SER	0	0.065	0.020	15.788	-0.070	-0.070	0.000	0.000	0.000	0.000
195	A	220	TYR	0	0.004	0.006	14.055	0.096	0.096	0.000	0.000	0.000	0.000
196	A	221	LEU	0	-0.013	0.002	11.647	-0.051	-0.051	0.000	0.000	0.000	0.000
197	A	222	GLY	0	0.014	-0.014	11.188	0.056	0.056	0.000	0.000	0.000	0.000
198	A	223	GLY	0	0.022	0.006	11.918	0.021	0.021	0.000	0.000	0.000	0.000
199	A	224	ASP	-1	-0.783	-0.853	12.008	-0.541	-0.541	0.000	0.000	0.000	0.000
200	A	225	VAL	0	0.019	-0.001	7.743	0.047	0.047	0.000	0.000	0.000	0.000
201	A	226	ARG	1	0.771	0.862	10.983	0.470	0.470	0.000	0.000	0.000	0.000
202	A	227	LYS	1	0.860	0.929	13.798	0.393	0.393	0.000	0.000	0.000	0.000
203	A	228	ALA	0	0.041	0.029	14.003	-0.028	-0.028	0.000	0.000	0.000	0.000
204	A	229	GLY	0	0.012	0.010	14.606	0.009	0.009	0.000	0.000	0.000	0.000
205	A	230	GLU	-1	-0.881	-0.952	15.526	0.069	0.069	0.000	0.000	0.000	0.000
206	A	231	TYR	0	-0.025	-0.004	14.660	0.035	0.035	0.000	0.000	0.000	0.000
207	A	232	GLY	0	0.025	0.020	15.649	0.023	0.023	0.000	0.000	0.000	0.000
208	A	233	PRO	0	-0.021	-0.021	14.702	-0.023	-0.023	0.000	0.000	0.000	0.000
209	A	234	LEU	0	-0.006	0.006	10.428	-0.072	-0.072	0.000	0.000	0.000	0.000
210	A	235	PRO	0	-0.007	0.006	9.748	0.068	0.068	0.000	0.000	0.000	0.000
211	A	236	ILE	0	-0.029	0.002	3.227	-0.569	-0.321	0.036	-0.088	-0.196	0.000
212	A	237	ALA	0	-0.017	-0.004	4.764	0.432	0.503	-0.001	-0.020	-0.051	0.000
213	A	238	GLY	0	0.003	-0.023	2.357	-0.572	0.296	2.324	-1.870	-1.322	-0.014
214	A	239	SER	0	-0.093	-0.067	2.464	-1.642	-0.697	0.447	-0.406	-0.986	-0.002
215	A	240	LYS	1	0.977	0.969	4.062	0.261	0.384	0.000	-0.005	-0.119	0.000
216	A	241	GLY	0	0.064	0.029	6.065	-0.123	-0.123	0.000	0.000	0.000	0.000
217	A	242	ASP	-1	-0.704	-0.837	3.025	12.917	14.014	0.245	-0.439	-0.903	-0.003
218	A	243	SER	0	-0.025	0.002	6.504	-0.451	-0.451	0.000	0.000	0.000	0.000
219	A	244	GLY	0	-0.033	0.000	9.976	-0.045	-0.045	0.000	0.000	0.000	0.000
220	A	245	SER	0	-0.038	-0.019	7.886	0.018	0.018	0.000	0.000	0.000	0.000
221	A	246	PRO	0	0.008	0.008	10.178	-0.086	-0.086	0.000	0.000	0.000	0.000
222	A	247	MET	0	-0.061	-0.019	10.286	0.122	0.122	0.000	0.000	0.000	0.000
223	A	248	PHE	0	0.015	0.001	12.188	-0.089	-0.089	0.000	0.000	0.000	0.000
224	A	249	ILE	0	-0.003	-0.012	14.911	-0.018	-0.018	0.000	0.000	0.000	0.000
225	A	250	TYR	0	0.066	0.029	17.720	0.000	0.000	0.000	0.000	0.000	0.000
226	A	251	ASP	-1	-0.748	-0.868	20.588	0.145	0.145	0.000	0.000	0.000	0.000
227	A	252	ALA	0	0.045	0.008	23.976	-0.007	-0.007	0.000	0.000	0.000	0.000
228	A	253	GLU	-1	-0.859	-0.908	26.179	0.111	0.111	0.000	0.000	0.000	0.000
229	A	254	LYS	1	0.763	0.863	27.194	-0.152	-0.152	0.000	0.000	0.000	0.000
230	A	255	GLN	0	-0.035	-0.005	26.326	-0.003	-0.003	0.000	0.000	0.000	0.000
231	A	256	LYS	1	0.880	0.949	24.283	-0.195	-0.195	0.000	0.000	0.000	0.000
232	A	257	TRP	0	-0.027	-0.027	16.306	0.023	0.023	0.000	0.000	0.000	0.000
233	A	258	LEU	0	0.010	0.006	19.873	-0.006	-0.006	0.000	0.000	0.000	0.000
234	A	259	ILE	0	-0.013	-0.002	15.521	0.031	0.031	0.000	0.000	0.000	0.000
235	A	260	ASN	0	-0.020	-0.042	16.482	-0.038	-0.038	0.000	0.000	0.000	0.000
236	A	261	GLY	0	0.028	0.000	15.483	-0.048	-0.048	0.000	0.000	0.000	0.000
237	A	262	ILE	0	-0.022	0.007	12.790	0.070	0.070	0.000	0.000	0.000	0.000
238	A	263	LEU	0	-0.026	0.003	6.290	-0.139	-0.139	0.000	0.000	0.000	0.000
239	A	264	ARG	1	0.830	0.895	10.451	-0.496	-0.496	0.000	0.000	0.000	0.000
240	A	273	GLU	-1	-0.814	-0.883	8.704	0.033	0.033	0.000	0.000	0.000	0.000
241	A	274	ASN	0	-0.081	-0.041	5.825	0.171	0.171	0.000	0.000	0.000	0.000
242	A	275	GLY	0	0.065	0.029	9.669	-0.121	-0.121	0.000	0.000	0.000	0.000
243	A	276	PHE	0	-0.019	-0.013	8.968	0.197	0.197	0.000	0.000	0.000	0.000
244	A	277	GLN	0	0.007	0.004	13.650	-0.142	-0.142	0.000	0.000	0.000	0.000
245	A	278	LEU	0	0.008	0.010	16.608	0.057	0.057	0.000	0.000	0.000	0.000
246	A	279	VAL	0	-0.043	-0.018	17.826	0.001	0.001	0.000	0.000	0.000	0.000
247	A	280	ARG	1	0.809	0.894	20.311	-0.407	-0.407	0.000	0.000	0.000	0.000
248	A	281	LYS	1	0.968	0.982	23.854	-0.234	-0.234	0.000	0.000	0.000	0.000
249	A	282	SER	0	0.054	0.024	26.109	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	283	TYR	0	-0.028	-0.018	24.983	-0.012	-0.012	0.000	0.000	0.000	0.000
251	A	284	PHE	0	-0.019	-0.014	25.025	0.006	0.006	0.000	0.000	0.000	0.000
252	A	285	ASP	-1	-0.809	-0.925	27.059	0.206	0.206	0.000	0.000	0.000	0.000
253	A	286	GLU	-1	-0.829	-0.897	30.562	0.189	0.189	0.000	0.000	0.000	0.000
254	A	287	ILE	0	-0.125	-0.064	27.169	-0.005	-0.005	0.000	0.000	0.000	0.000
255	A	288	PHE	0	0.012	0.006	29.959	-0.010	-0.010	0.000	0.000	0.000	0.000
256	A	289	GLU	-1	-0.908	-0.961	31.677	0.141	0.141	0.000	0.000	0.000	0.000
257	A	290	ARG	1	0.831	0.936	30.524	-0.209	-0.209	0.000	0.000	0.000	0.000
258	A	291	ASP	-1	-0.763	-0.872	31.317	0.203	0.203	0.000	0.000	0.000	0.000
259	A	292	LEU	0	-0.059	-0.022	34.688	-0.006	-0.006	0.000	0.000	0.000	0.000
260	A	293	HIS	0	0.004	0.018	36.647	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	294	THR	0	-0.025	-0.034	39.935	-0.008	-0.008	0.000	0.000	0.000	0.000
262	A	295	SER	0	-0.018	-0.009	41.926	0.004	0.004	0.000	0.000	0.000	0.000
263	A	296	LEU	0	-0.040	-0.013	43.743	-0.005	-0.005	0.000	0.000	0.000	0.000
264	A	297	TYR	0	0.001	-0.027	46.574	0.001	0.001	0.000	0.000	0.000	0.000
265	A	298	THR	0	0.032	0.012	48.984	-0.003	-0.003	0.000	0.000	0.000	0.000
266	A	299	ARG	1	0.957	0.973	52.708	-0.067	-0.067	0.000	0.000	0.000	0.000
267	A	300	ALA	0	0.002	0.016	54.185	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	301	GLY	0	-0.037	-0.015	53.310	-0.002	-0.002	0.000	0.000	0.000	0.000
269	A	302	ASN	0	-0.043	-0.036	54.054	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	303	GLY	0	0.014	0.005	52.777	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	304	VAL	0	-0.042	-0.016	52.854	0.001	0.001	0.000	0.000	0.000	0.000
272	A	305	TYR	0	0.035	0.021	49.614	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	306	THR	0	-0.049	-0.031	52.119	-0.002	-0.002	0.000	0.000	0.000	0.000
274	A	307	ILE	0	0.004	0.016	45.043	0.001	0.001	0.000	0.000	0.000	0.000
275	A	308	SER	0	-0.022	-0.013	49.349	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	309	GLY	0	0.055	-0.005	46.763	0.004	0.004	0.000	0.000	0.000	0.000
277	A	310	ASN	0	-0.050	-0.018	46.811	-0.005	-0.005	0.000	0.000	0.000	0.000
278	A	311	ASP	-1	-0.826	-0.920	44.387	0.091	0.091	0.000	0.000	0.000	0.000
279	A	312	ASN	0	-0.025	-0.015	43.923	0.007	0.007	0.000	0.000	0.000	0.000
280	A	313	GLY	0	0.015	0.009	42.466	0.003	0.003	0.000	0.000	0.000	0.000
281	A	314	GLN	0	-0.018	0.005	43.106	0.001	0.001	0.000	0.000	0.000	0.000
282	A	315	GLY	0	0.044	0.004	45.912	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	316	SER	0	-0.090	-0.065	47.389	0.001	0.001	0.000	0.000	0.000	0.000
284	A	317	ILE	0	-0.003	-0.004	45.372	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	318	THR	0	0.010	0.012	49.984	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	319	GLN	0	-0.031	-0.032	52.237	0.002	0.002	0.000	0.000	0.000	0.000
287	A	320	LYS	1	0.943	0.972	54.175	-0.053	-0.053	0.000	0.000	0.000	0.000
288	A	321	SER	0	-0.069	-0.057	57.054	-0.003	-0.003	0.000	0.000	0.000	0.000
289	A	322	GLY	0	0.031	0.033	55.442	0.000	0.000	0.000	0.000	0.000	0.000
290	A	323	ILE	0	-0.030	-0.001	55.828	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	324	PRO	0	0.023	0.004	52.829	0.001	0.001	0.000	0.000	0.000	0.000
292	A	325	SER	0	0.046	0.020	54.400	0.001	0.001	0.000	0.000	0.000	0.000
293	A	326	GLU	-1	-0.826	-0.872	52.389	0.072	0.072	0.000	0.000	0.000	0.000
294	A	327	ILE	0	0.006	0.009	47.340	0.000	0.000	0.000	0.000	0.000	0.000
295	A	328	LYS	1	0.820	0.902	48.145	-0.078	-0.078	0.000	0.000	0.000	0.000
296	A	329	ILE	0	0.020	0.019	43.503	0.002	0.002	0.000	0.000	0.000	0.000
297	A	330	THR	0	-0.037	-0.030	39.721	-0.005	-0.005	0.000	0.000	0.000	0.000
298	A	331	LEU	0	-0.046	-0.008	40.451	0.004	0.004	0.000	0.000	0.000	0.000
299	A	332	ALA	0	0.011	-0.002	38.332	0.005	0.005	0.000	0.000	0.000	0.000
300	A	333	ASN	0	0.016	0.017	38.735	-0.011	-0.011	0.000	0.000	0.000	0.000
301	A	334	MET	0	-0.018	-0.019	39.628	0.008	0.008	0.000	0.000	0.000	0.000
302	A	335	SER	0	-0.043	-0.026	41.439	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	336	LEU	0	0.019	0.026	37.533	0.001	0.001	0.000	0.000	0.000	0.000
304	A	337	PRO	0	0.056	0.028	34.695	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	338	LEU	0	0.013	0.006	32.440	0.008	0.008	0.000	0.000	0.000	0.000
306	A	339	LYS	1	0.870	0.934	27.678	-0.181	-0.181	0.000	0.000	0.000	0.000
307	A	340	GLU	-1	-0.807	-0.869	30.436	0.145	0.145	0.000	0.000	0.000	0.000
308	A	341	LYS	1	0.858	0.918	27.277	-0.197	-0.197	0.000	0.000	0.000	0.000
309	A	342	ASP	-1	-0.755	-0.869	26.783	0.238	0.238	0.000	0.000	0.000	0.000
310	A	343	LYS	1	0.930	0.953	28.470	-0.192	-0.192	0.000	0.000	0.000	0.000
311	A	344	VAL	0	0.012	0.008	24.913	0.025	0.025	0.000	0.000	0.000	0.000
312	A	345	HIS	0	-0.021	-0.008	26.482	-0.034	-0.034	0.000	0.000	0.000	0.000
313	A	346	ASN	0	-0.003	-0.020	23.992	-0.018	-0.018	0.000	0.000	0.000	0.000
314	A	347	PRO	0	0.049	0.015	24.740	0.020	0.020	0.000	0.000	0.000	0.000
315	A	348	ARG	1	0.923	0.970	19.131	-0.287	-0.287	0.000	0.000	0.000	0.000
316	A	349	TYR	0	-0.037	-0.044	19.501	0.041	0.041	0.000	0.000	0.000	0.000
317	A	350	ASP	-1	-0.760	-0.857	21.500	0.233	0.233	0.000	0.000	0.000	0.000
318	A	351	GLY	0	0.008	-0.011	22.427	0.021	0.021	0.000	0.000	0.000	0.000
319	A	352	PRO	0	-0.021	-0.015	21.797	-0.021	-0.021	0.000	0.000	0.000	0.000
320	A	353	ASN	0	0.001	-0.005	23.047	0.005	0.005	0.000	0.000	0.000	0.000
321	A	354	ILE	0	0.006	0.019	24.270	-0.012	-0.012	0.000	0.000	0.000	0.000
322	A	355	TYR	0	-0.046	-0.040	25.172	0.030	0.030	0.000	0.000	0.000	0.000
323	A	356	SER	0	-0.041	-0.039	27.856	-0.016	-0.016	0.000	0.000	0.000	0.000
324	A	357	PRO	0	0.053	0.035	30.984	0.000	0.000	0.000	0.000	0.000	0.000
325	A	358	ARG	1	0.826	0.923	34.059	-0.124	-0.124	0.000	0.000	0.000	0.000
326	A	359	LEU	0	0.010	0.000	31.295	-0.006	-0.006	0.000	0.000	0.000	0.000
327	A	360	ASN	0	-0.002	-0.020	30.865	0.011	0.011	0.000	0.000	0.000	0.000
328	A	361	ASN	0	-0.032	-0.009	33.482	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	362	GLY	0	0.022	0.034	36.415	-0.008	-0.008	0.000	0.000	0.000	0.000
330	A	363	GLU	-1	-0.757	-0.849	35.945	0.129	0.129	0.000	0.000	0.000	0.000
331	A	364	THR	0	-0.020	-0.028	33.823	-0.006	-0.006	0.000	0.000	0.000	0.000
332	A	365	LEU	0	-0.018	0.007	37.014	-0.004	-0.004	0.000	0.000	0.000	0.000
333	A	366	TYR	0	0.011	-0.003	38.798	0.001	0.001	0.000	0.000	0.000	0.000
334	A	367	PHE	0	0.000	0.007	41.022	-0.006	-0.006	0.000	0.000	0.000	0.000
335	A	368	MET	0	0.020	0.011	43.987	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	369	ASP	-1	-0.761	-0.903	46.048	0.062	0.062	0.000	0.000	0.000	0.000
337	A	370	GLN	0	0.006	0.015	48.900	0.000	0.000	0.000	0.000	0.000	0.000
338	A	371	LYS	1	0.851	0.941	50.809	-0.057	-0.057	0.000	0.000	0.000	0.000
339	A	372	GLN	0	0.036	0.017	51.001	0.001	0.001	0.000	0.000	0.000	0.000
340	A	373	GLY	0	0.029	0.040	50.132	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	374	SER	0	-0.039	-0.027	51.009	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	375	LEU	0	-0.011	-0.009	45.808	0.001	0.001	0.000	0.000	0.000	0.000
343	A	376	ILE	0	0.016	0.010	50.062	0.001	0.001	0.000	0.000	0.000	0.000
344	A	377	PHE	0	0.023	-0.004	44.221	0.002	0.002	0.000	0.000	0.000	0.000
345	A	378	ALA	0	0.010	0.004	50.327	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	379	SER	0	0.002	-0.014	48.560	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	380	ASP	-1	-0.787	-0.877	46.247	0.075	0.075	0.000	0.000	0.000	0.000
348	A	381	ILE	0	-0.048	0.000	42.488	0.001	0.001	0.000	0.000	0.000	0.000
349	A	382	ASN	0	0.029	0.014	38.813	0.009	0.009	0.000	0.000	0.000	0.000
350	A	383	GLN	0	0.036	-0.001	38.384	-0.003	-0.003	0.000	0.000	0.000	0.000
351	A	384	GLY	0	0.024	0.012	36.085	0.007	0.007	0.000	0.000	0.000	0.000
352	A	385	ALA	0	-0.040	-0.025	31.509	0.003	0.003	0.000	0.000	0.000	0.000
353	A	386	GLY	0	0.026	0.038	33.141	0.009	0.009	0.000	0.000	0.000	0.000
354	A	387	GLY	0	-0.012	-0.016	35.249	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	388	LEU	0	-0.026	0.001	36.160	-0.005	-0.005	0.000	0.000	0.000	0.000
356	A	389	TYR	0	0.042	0.017	32.074	0.006	0.006	0.000	0.000	0.000	0.000
357	A	390	PHE	0	-0.008	-0.004	38.653	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	391	GLU	-1	-0.823	-0.888	40.784	0.103	0.103	0.000	0.000	0.000	0.000
359	A	392	GLY	0	0.078	0.027	43.144	-0.004	-0.004	0.000	0.000	0.000	0.000
360	A	393	ASN	0	-0.042	-0.029	45.540	0.004	0.004	0.000	0.000	0.000	0.000
361	A	394	PHE	0	-0.007	-0.005	46.303	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	395	THR	0	-0.016	-0.007	48.430	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	396	VAL	0	-0.022	-0.005	45.411	0.000	0.000	0.000	0.000	0.000	0.000
364	A	397	SER	0	0.016	0.002	48.633	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	398	PRO	0	-0.024	0.015	49.935	0.001	0.001	0.000	0.000	0.000	0.000
366	A	399	ASN	0	0.000	-0.015	51.838	-0.003	-0.003	0.000	0.000	0.000	0.000
367	A	400	SER	0	-0.073	-0.038	54.096	-0.003	-0.003	0.000	0.000	0.000	0.000
368	A	401	ASN	0	0.001	0.002	51.122	-0.003	-0.003	0.000	0.000	0.000	0.000
369	A	402	GLN	0	-0.006	0.012	49.180	0.001	0.001	0.000	0.000	0.000	0.000
370	A	403	THR	0	-0.051	-0.042	44.401	0.002	0.002	0.000	0.000	0.000	0.000
371	A	404	TRP	0	0.002	-0.016	36.569	0.001	0.001	0.000	0.000	0.000	0.000
372	A	405	GLN	0	-0.041	-0.040	36.279	-0.004	-0.004	0.000	0.000	0.000	0.000
373	A	406	GLY	0	0.049	0.029	36.440	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	407	ALA	0	0.000	0.008	31.621	0.002	0.002	0.000	0.000	0.000	0.000
375	A	408	GLY	0	0.016	-0.013	32.245	0.007	0.007	0.000	0.000	0.000	0.000
376	A	409	ILE	0	-0.012	0.005	34.342	-0.004	-0.004	0.000	0.000	0.000	0.000
377	A	410	HIS	0	0.017	0.011	32.870	-0.003	-0.003	0.000	0.000	0.000	0.000
378	A	411	VAL	0	-0.016	0.001	36.187	-0.005	-0.005	0.000	0.000	0.000	0.000
379	A	412	SER	0	0.019	-0.016	38.024	0.005	0.005	0.000	0.000	0.000	0.000
380	A	413	GLU	-1	-0.784	-0.886	37.882	0.092	0.092	0.000	0.000	0.000	0.000
381	A	414	ASN	0	-0.057	-0.040	40.029	-0.004	-0.004	0.000	0.000	0.000	0.000
382	A	415	SER	0	-0.008	0.035	42.372	-0.004	-0.004	0.000	0.000	0.000	0.000
383	A	416	THR	0	-0.016	-0.021	43.138	0.002	0.002	0.000	0.000	0.000	0.000
384	A	417	VAL	0	-0.002	0.004	42.749	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	418	THR	0	0.013	0.004	45.218	0.001	0.001	0.000	0.000	0.000	0.000
386	A	419	TRP	0	-0.014	-0.018	42.418	0.002	0.002	0.000	0.000	0.000	0.000
387	A	420	LYS	1	0.894	0.938	46.403	-0.058	-0.058	0.000	0.000	0.000	0.000
388	A	421	VAL	0	0.015	0.024	44.869	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	422	ASN	0	0.021	0.006	44.739	0.004	0.004	0.000	0.000	0.000	0.000
390	A	423	GLY	0	0.016	-0.005	41.000	0.003	0.003	0.000	0.000	0.000	0.000
391	A	424	VAL	0	-0.016	-0.007	39.697	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	425	GLU	-1	-0.797	-0.894	39.508	0.076	0.076	0.000	0.000	0.000	0.000
393	A	426	HIS	0	-0.056	-0.038	35.778	0.007	0.007	0.000	0.000	0.000	0.000
394	A	427	ASP	-1	-0.840	-0.877	34.788	0.143	0.143	0.000	0.000	0.000	0.000
395	A	428	ARG	1	0.835	0.919	27.455	-0.177	-0.177	0.000	0.000	0.000	0.000
396	A	429	LEU	0	0.031	0.020	33.211	0.010	0.010	0.000	0.000	0.000	0.000
397	A	430	SER	0	0.004	-0.020	29.682	-0.002	-0.002	0.000	0.000	0.000	0.000
398	A	431	LYS	1	0.770	0.899	32.648	-0.111	-0.111	0.000	0.000	0.000	0.000
399	A	432	ILE	0	0.034	0.002	29.893	0.003	0.003	0.000	0.000	0.000	0.000
400	A	433	GLY	0	0.021	0.021	32.895	-0.008	-0.008	0.000	0.000	0.000	0.000
401	A	434	LYS	1	0.848	0.882	34.031	-0.107	-0.107	0.000	0.000	0.000	0.000
402	A	435	GLY	0	0.026	0.032	36.564	-0.007	-0.007	0.000	0.000	0.000	0.000
403	A	436	THR	0	-0.027	-0.031	39.184	0.004	0.004	0.000	0.000	0.000	0.000
404	A	437	LEU	0	-0.008	0.003	40.023	0.000	0.000	0.000	0.000	0.000	0.000
405	A	438	HIS	0	-0.053	-0.048	42.188	0.000	0.000	0.000	0.000	0.000	0.000
406	A	439	VAL	0	0.009	0.007	42.119	0.000	0.000	0.000	0.000	0.000	0.000
407	A	440	GLN	0	-0.012	-0.022	45.343	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	441	ALA	0	0.036	0.030	47.510	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	442	LYS	1	0.823	0.901	49.397	-0.048	-0.048	0.000	0.000	0.000	0.000
410	A	443	GLY	0	0.039	0.024	50.171	0.002	0.002	0.000	0.000	0.000	0.000
411	A	444	GLU	-1	-0.899	-0.967	45.561	0.060	0.060	0.000	0.000	0.000	0.000
412	A	445	ASN	0	0.006	0.006	41.514	0.003	0.003	0.000	0.000	0.000	0.000
413	A	446	LYS	1	0.893	0.937	42.122	-0.065	-0.065	0.000	0.000	0.000	0.000
414	A	447	GLY	0	0.016	0.045	38.676	0.003	0.003	0.000	0.000	0.000	0.000
415	A	448	SER	0	-0.041	-0.021	34.664	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	449	ILE	0	-0.034	-0.021	34.848	0.005	0.005	0.000	0.000	0.000	0.000
417	A	450	SER	0	-0.006	0.016	28.888	-0.003	-0.003	0.000	0.000	0.000	0.000
418	A	451	VAL	0	0.006	-0.009	32.143	0.005	0.005	0.000	0.000	0.000	0.000
419	A	452	GLY	0	0.024	0.016	29.985	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	453	ASP	-1	-0.858	-0.938	30.622	0.137	0.137	0.000	0.000	0.000	0.000
421	A	454	GLY	0	0.026	0.034	32.940	-0.003	-0.003	0.000	0.000	0.000	0.000
422	A	455	LYS	1	0.752	0.868	36.626	-0.064	-0.064	0.000	0.000	0.000	0.000
423	A	456	VAL	0	0.021	0.010	37.819	0.003	0.003	0.000	0.000	0.000	0.000
424	A	457	ILE	0	-0.029	-0.009	40.534	-0.003	-0.003	0.000	0.000	0.000	0.000
425	A	458	LEU	0	-0.016	-0.008	40.997	0.002	0.002	0.000	0.000	0.000	0.000
426	A	459	GLU	-1	-0.782	-0.878	45.102	0.048	0.048	0.000	0.000	0.000	0.000
427	A	460	GLN	0	-0.014	0.025	46.385	0.000	0.000	0.000	0.000	0.000	0.000
428	A	461	GLN	0	0.003	-0.012	49.097	-0.005	-0.005	0.000	0.000	0.000	0.000
429	A	462	ALA	0	0.024	0.008	51.952	0.002	0.002	0.000	0.000	0.000	0.000
430	A	463	ASP	-1	-0.762	-0.881	53.233	0.047	0.047	0.000	0.000	0.000	0.000
431	A	464	ASP	-1	-0.862	-0.923	55.041	0.041	0.041	0.000	0.000	0.000	0.000
432	A	465	GLN	0	-0.069	-0.038	56.554	0.000	0.000	0.000	0.000	0.000	0.000
433	A	466	GLY	0	-0.009	0.010	56.262	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	467	ASN	0	-0.105	-0.059	50.932	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	468	LYS	1	0.814	0.872	49.589	-0.043	-0.043	0.000	0.000	0.000	0.000
436	A	469	GLN	0	-0.093	-0.034	43.693	-0.003	-0.003	0.000	0.000	0.000	0.000
437	A	470	ALA	0	0.000	-0.011	42.812	0.002	0.002	0.000	0.000	0.000	0.000
438	A	471	PHE	0	-0.004	-0.014	38.838	0.005	0.005	0.000	0.000	0.000	0.000
439	A	472	SER	0	0.003	0.001	38.727	-0.003	-0.003	0.000	0.000	0.000	0.000
440	A	473	GLU	-1	-0.868	-0.932	32.236	0.098	0.098	0.000	0.000	0.000	0.000
441	A	474	ILE	0	-0.028	-0.013	35.909	0.005	0.005	0.000	0.000	0.000	0.000
442	A	475	GLY	0	0.035	0.020	31.882	-0.004	-0.004	0.000	0.000	0.000	0.000
443	A	476	LEU	0	-0.090	-0.025	32.052	0.003	0.003	0.000	0.000	0.000	0.000
444	A	477	VAL	0	-0.010	-0.007	26.706	0.000	0.000	0.000	0.000	0.000	0.000
445	A	478	SER	0	-0.016	-0.004	25.843	0.002	0.002	0.000	0.000	0.000	0.000
446	A	479	GLY	0	0.020	0.015	26.838	0.000	0.000	0.000	0.000	0.000	0.000
447	A	480	ARG	1	0.741	0.852	27.338	-0.179	-0.179	0.000	0.000	0.000	0.000
448	A	481	GLY	0	0.010	0.033	31.690	-0.007	-0.007	0.000	0.000	0.000	0.000
449	A	482	THR	0	-0.022	-0.029	33.702	-0.009	-0.009	0.000	0.000	0.000	0.000
450	A	483	VAL	0	0.020	0.009	36.951	0.002	0.002	0.000	0.000	0.000	0.000
451	A	484	GLN	0	0.013	0.003	39.337	-0.002	-0.002	0.000	0.000	0.000	0.000
452	A	485	LEU	0	-0.026	-0.001	43.089	0.002	0.002	0.000	0.000	0.000	0.000
453	A	486	ASN	0	0.042	0.004	45.751	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	487	ASP	-1	-0.798	-0.859	48.582	0.042	0.042	0.000	0.000	0.000	0.000
455	A	488	ASP	-1	-0.859	-0.908	48.447	0.039	0.039	0.000	0.000	0.000	0.000
456	A	489	LYS	1	0.921	0.936	47.880	-0.033	-0.033	0.000	0.000	0.000	0.000
457	A	490	GLN	0	0.029	0.020	45.188	0.004	0.004	0.000	0.000	0.000	0.000
458	A	491	PHE	0	0.011	0.003	41.107	0.004	0.004	0.000	0.000	0.000	0.000
459	A	492	ASP	-1	-0.744	-0.851	41.866	0.044	0.044	0.000	0.000	0.000	0.000
460	A	493	THR	0	-0.009	-0.020	40.777	0.004	0.004	0.000	0.000	0.000	0.000
461	A	494	ASP	-1	-0.879	-0.931	38.751	0.039	0.039	0.000	0.000	0.000	0.000
462	A	495	LYS	1	0.785	0.875	36.812	-0.052	-0.052	0.000	0.000	0.000	0.000
463	A	496	PHE	0	0.014	0.015	35.905	0.006	0.006	0.000	0.000	0.000	0.000
464	A	497	TYR	0	-0.028	-0.001	28.671	-0.005	-0.005	0.000	0.000	0.000	0.000
465	A	498	PHE	0	-0.024	-0.003	30.879	0.004	0.004	0.000	0.000	0.000	0.000
466	A	499	GLY	0	0.070	0.035	27.226	-0.005	-0.005	0.000	0.000	0.000	0.000
467	A	500	PHE	0	-0.006	-0.012	19.829	-0.006	-0.006	0.000	0.000	0.000	0.000
468	A	501	ARG	1	0.821	0.864	20.096	-0.183	-0.183	0.000	0.000	0.000	0.000
469	A	502	GLY	0	-0.008	0.008	26.030	-0.007	-0.007	0.000	0.000	0.000	0.000
470	A	503	GLY	0	0.048	0.026	29.423	0.011	0.011	0.000	0.000	0.000	0.000
471	A	504	ARG	1	0.851	0.915	32.431	-0.072	-0.072	0.000	0.000	0.000	0.000
472	A	505	LEU	0	0.031	0.011	36.209	0.003	0.003	0.000	0.000	0.000	0.000
473	A	506	ASP	-1	-0.772	-0.886	38.892	0.046	0.046	0.000	0.000	0.000	0.000
474	A	507	LEU	0	0.006	-0.024	42.179	0.001	0.001	0.000	0.000	0.000	0.000
475	A	508	ASN	0	-0.025	-0.025	44.827	-0.003	-0.003	0.000	0.000	0.000	0.000
476	A	509	GLY	0	0.001	0.004	47.538	0.000	0.000	0.000	0.000	0.000	0.000
477	A	510	HIS	1	0.823	0.927	47.833	-0.042	-0.042	0.000	0.000	0.000	0.000
478	A	511	SER	0	-0.008	-0.021	47.826	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	512	LEU	0	0.006	0.017	42.500	0.001	0.001	0.000	0.000	0.000	0.000
480	A	513	THR	0	-0.030	-0.026	45.428	-0.004	-0.004	0.000	0.000	0.000	0.000
481	A	514	PHE	0	0.035	0.029	38.794	0.002	0.002	0.000	0.000	0.000	0.000
482	A	515	LYS	1	0.883	0.959	40.676	-0.035	-0.035	0.000	0.000	0.000	0.000
483	A	516	ARG	1	0.812	0.858	31.737	-0.042	-0.042	0.000	0.000	0.000	0.000
484	A	517	ILE	0	0.028	0.021	34.653	0.003	0.003	0.000	0.000	0.000	0.000
485	A	518	GLN	0	0.029	0.042	31.763	0.000	0.000	0.000	0.000	0.000	0.000
486	A	519	ASN	0	-0.034	-0.039	30.524	0.003	0.003	0.000	0.000	0.000	0.000
487	A	520	THR	0	0.003	0.011	23.981	-0.003	-0.003	0.000	0.000	0.000	0.000
488	A	521	ASP	-1	-0.826	-0.925	24.958	0.086	0.086	0.000	0.000	0.000	0.000
489	A	522	GLU	-1	-0.775	-0.874	27.107	0.023	0.023	0.000	0.000	0.000	0.000
490	A	523	GLY	0	0.012	0.018	28.242	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	524	ALA	0	-0.052	-0.017	29.615	0.004	0.004	0.000	0.000	0.000	0.000
492	A	525	MET	0	-0.029	-0.009	32.058	-0.008	-0.008	0.000	0.000	0.000	0.000
493	A	526	ILE	0	0.018	0.024	35.527	0.004	0.004	0.000	0.000	0.000	0.000
494	A	527	VAL	0	-0.012	-0.006	39.090	-0.005	-0.005	0.000	0.000	0.000	0.000
495	A	528	ASN	0	0.001	-0.021	41.932	0.003	0.003	0.000	0.000	0.000	0.000
496	A	529	HIS	0	-0.053	-0.034	40.958	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	530	ASN	0	0.009	0.018	46.281	-0.002	-0.002	0.000	0.000	0.000	0.000
498	A	531	THR	0	0.012	-0.007	49.864	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	532	THR	0	-0.053	-0.016	52.382	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	533	GLN	0	-0.009	0.007	53.025	0.000	0.000	0.000	0.000	0.000	0.000
501	A	534	ALA	0	-0.003	-0.003	51.544	0.001	0.001	0.000	0.000	0.000	0.000
502	A	535	ALA	0	0.022	0.030	47.207	0.001	0.001	0.000	0.000	0.000	0.000
503	A	536	ASN	0	-0.019	-0.027	47.919	-0.004	-0.004	0.000	0.000	0.000	0.000
504	A	537	VAL	0	0.042	0.025	41.754	0.002	0.002	0.000	0.000	0.000	0.000
505	A	538	THR	0	-0.031	-0.010	45.221	-0.004	-0.004	0.000	0.000	0.000	0.000
506	A	539	ILE	0	-0.013	-0.009	39.783	0.002	0.002	0.000	0.000	0.000	0.000
507	A	540	THR	0	-0.011	-0.024	43.556	-0.003	-0.003	0.000	0.000	0.000	0.000
508	A	541	GLY	0	0.011	0.009	41.123	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	542	ASN	0	-0.035	-0.029	36.597	0.006	0.006	0.000	0.000	0.000	0.000
510	A	543	GLU	-1	-0.826	-0.911	40.989	0.021	0.021	0.000	0.000	0.000	0.000
511	A	544	SER	0	-0.011	-0.006	42.433	-0.003	-0.003	0.000	0.000	0.000	0.000
512	A	545	ILE	0	-0.009	-0.017	40.691	0.001	0.001	0.000	0.000	0.000	0.000
513	A	546	VAL	0	-0.038	0.001	41.547	-0.003	-0.003	0.000	0.000	0.000	0.000
514	A	547	LEU	0	-0.011	-0.018	36.872	0.003	0.003	0.000	0.000	0.000	0.000
515	A	548	PRO	0	0.029	0.030	38.577	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	549	ASN	0	0.002	-0.007	39.863	-0.004	-0.004	0.000	0.000	0.000	0.000
517	A	550	GLY	0	0.042	0.014	38.284	0.003	0.003	0.000	0.000	0.000	0.000
518	A	551	ASN	0	-0.020	-0.014	33.729	-0.007	-0.007	0.000	0.000	0.000	0.000
519	A	552	ASN	0	0.005	-0.002	32.249	0.001	0.001	0.000	0.000	0.000	0.000
520	A	553	ILE	0	-0.011	0.007	33.324	0.003	0.003	0.000	0.000	0.000	0.000
521	A	554	ASN	0	0.033	0.001	31.229	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	555	LYS	1	0.943	0.964	31.029	0.001	0.001	0.000	0.000	0.000	0.000
523	A	556	LEU	0	-0.008	0.002	28.565	-0.006	-0.006	0.000	0.000	0.000	0.000
524	A	557	ASP	-1	-0.800	-0.874	32.809	0.037	0.037	0.000	0.000	0.000	0.000
525	A	558	TYR	0	-0.008	-0.007	35.924	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	559	ARG	1	0.796	0.894	31.798	0.013	0.013	0.000	0.000	0.000	0.000
527	A	560	LYS	1	0.905	0.950	36.838	0.020	0.020	0.000	0.000	0.000	0.000
528	A	561	GLU	-1	-0.837	-0.895	35.271	-0.014	-0.014	0.000	0.000	0.000	0.000
529	A	562	ILE	0	-0.018	0.012	34.865	0.002	0.002	0.000	0.000	0.000	0.000
530	A	563	ALA	0	0.043	0.001	32.225	-0.005	-0.005	0.000	0.000	0.000	0.000
531	A	564	TYR	0	-0.036	-0.016	33.464	0.007	0.007	0.000	0.000	0.000	0.000
532	A	565	ASN	0	0.019	0.002	27.184	-0.011	-0.011	0.000	0.000	0.000	0.000
533	A	566	GLY	0	0.022	0.030	30.803	0.000	0.000	0.000	0.000	0.000	0.000
534	A	567	TRP	0	-0.015	0.004	32.722	-0.008	-0.008	0.000	0.000	0.000	0.000
535	A	568	PHE	0	0.008	0.009	36.282	0.004	0.004	0.000	0.000	0.000	0.000
536	A	569	GLY	0	0.033	0.013	39.963	-0.004	-0.004	0.000	0.000	0.000	0.000
537	A	570	GLU	-1	-0.741	-0.862	39.428	0.052	0.052	0.000	0.000	0.000	0.000
538	A	571	THR	0	-0.019	-0.015	36.773	-0.003	-0.003	0.000	0.000	0.000	0.000
539	A	572	ASP	-1	-0.839	-0.898	38.283	0.051	0.051	0.000	0.000	0.000	0.000
540	A	573	LYS	1	0.895	0.930	39.707	-0.029	-0.029	0.000	0.000	0.000	0.000
541	A	574	ASN	0	-0.014	0.001	41.518	-0.003	-0.003	0.000	0.000	0.000	0.000
542	A	575	LYS	1	0.865	0.930	38.373	-0.059	-0.059	0.000	0.000	0.000	0.000
543	A	576	HIS	0	0.017	0.019	43.649	-0.004	-0.004	0.000	0.000	0.000	0.000
544	A	577	ASN	0	-0.014	-0.020	44.740	0.003	0.003	0.000	0.000	0.000	0.000
545	A	578	GLY	0	0.077	0.046	46.086	-0.003	-0.003	0.000	0.000	0.000	0.000
546	A	579	ARG	1	0.797	0.870	47.912	-0.018	-0.018	0.000	0.000	0.000	0.000
547	A	580	LEU	0	0.006	0.011	43.149	0.002	0.002	0.000	0.000	0.000	0.000
548	A	581	ASN	0	-0.004	0.009	47.813	-0.003	-0.003	0.000	0.000	0.000	0.000
549	A	582	LEU	0	-0.005	0.003	41.805	0.002	0.002	0.000	0.000	0.000	0.000
550	A	583	ILE	0	-0.015	-0.015	45.821	-0.003	-0.003	0.000	0.000	0.000	0.000
551	A	584	TYR	0	-0.007	-0.001	42.505	0.003	0.003	0.000	0.000	0.000	0.000
552	A	585	LYS	1	0.977	0.975	45.838	-0.017	-0.017	0.000	0.000	0.000	0.000
553	A	586	PRO	0	0.002	0.012	44.705	0.002	0.002	0.000	0.000	0.000	0.000
554	A	587	THR	0	0.043	0.004	46.731	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	588	THR	0	-0.040	-0.016	46.825	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	589	GLU	-1	-0.739	-0.861	46.994	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	590	ASP	-1	-0.852	-0.920	43.460	-0.017	-0.017	0.000	0.000	0.000	0.000
558	A	591	ARG	1	0.894	0.959	41.938	-0.004	-0.004	0.000	0.000	0.000	0.000
559	A	592	THR	0	-0.043	-0.034	38.602	-0.001	-0.001	0.000	0.000	0.000	0.000
560	A	593	LEU	0	0.023	0.030	37.505	0.002	0.002	0.000	0.000	0.000	0.000
561	A	594	LEU	0	-0.007	-0.002	32.124	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	595	LEU	0	0.000	0.001	35.273	0.005	0.005	0.000	0.000	0.000	0.000
563	A	596	SER	0	0.020	-0.003	31.533	-0.004	-0.004	0.000	0.000	0.000	0.000
564	A	597	GLY	0	0.043	0.039	31.717	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	598	GLY	0	0.003	-0.010	33.070	-0.004	-0.004	0.000	0.000	0.000	0.000
566	A	599	THR	0	-0.053	-0.048	36.585	0.002	0.002	0.000	0.000	0.000	0.000
567	A	600	ASN	0	-0.041	-0.036	40.100	-0.005	-0.005	0.000	0.000	0.000	0.000
568	A	601	LEU	0	0.000	0.017	42.601	0.003	0.003	0.000	0.000	0.000	0.000
569	A	602	LYS	1	0.883	0.941	45.337	-0.019	-0.019	0.000	0.000	0.000	0.000
570	A	603	GLY	0	0.044	0.004	48.580	0.001	0.001	0.000	0.000	0.000	0.000
571	A	604	ASP	-1	-0.796	-0.869	48.898	0.008	0.008	0.000	0.000	0.000	0.000
572	A	605	ILE	0	0.007	0.002	43.522	0.002	0.002	0.000	0.000	0.000	0.000
573	A	606	THR	0	-0.040	-0.022	47.632	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	607	GLN	0	-0.053	-0.035	46.079	0.001	0.001	0.000	0.000	0.000	0.000
575	A	608	THR	0	0.033	0.003	49.062	0.000	0.000	0.000	0.000	0.000	0.000
576	A	609	LYS	1	0.832	0.906	48.971	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	610	GLY	0	0.009	0.024	45.678	0.001	0.001	0.000	0.000	0.000	0.000
578	A	611	LYS	1	0.810	0.891	42.508	0.013	0.013	0.000	0.000	0.000	0.000
579	A	612	LEU	0	0.014	0.012	41.164	0.002	0.002	0.000	0.000	0.000	0.000
580	A	613	PHE	0	0.000	-0.012	37.860	-0.003	-0.003	0.000	0.000	0.000	0.000
581	A	614	PHE	0	0.037	0.023	38.207	0.003	0.003	0.000	0.000	0.000	0.000
582	A	615	SER	0	-0.030	-0.039	33.581	-0.006	-0.006	0.000	0.000	0.000	0.000
583	A	616	GLY	0	0.049	0.024	32.838	0.006	0.006	0.000	0.000	0.000	0.000
584	A	617	ARG	1	0.759	0.833	23.524	0.018	0.018	0.000	0.000	0.000	0.000
585	A	618	PRO	0	0.032	0.019	24.973	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	619	THR	0	-0.007	-0.027	21.645	0.020	0.020	0.000	0.000	0.000	0.000
587	A	620	PRO	0	-0.009	0.004	20.432	-0.017	-0.017	0.000	0.000	0.000	0.000
588	A	621	HIS	1	0.803	0.882	17.206	0.162	0.162	0.000	0.000	0.000	0.000
589	A	622	ALA	0	-0.043	-0.031	12.523	0.031	0.031	0.000	0.000	0.000	0.000
590	A	623	TYR	0	-0.002	-0.002	14.170	-0.046	-0.046	0.000	0.000	0.000	0.000
591	A	624	ASN	0	0.002	-0.025	12.735	-0.114	-0.114	0.000	0.000	0.000	0.000
592	A	625	HIS	0	-0.031	-0.020	10.524	0.029	0.029	0.000	0.000	0.000	0.000
593	A	626	LEU	0	-0.033	0.011	8.575	-0.015	-0.015	0.000	0.000	0.000	0.000
594	A	627	ASN	0	0.022	0.011	12.244	0.093	0.093	0.000	0.000	0.000	0.000
595	A	628	LYS	1	0.851	0.894	15.209	0.225	0.225	0.000	0.000	0.000	0.000
596	A	629	ARG	1	0.913	0.969	14.135	0.693	0.693	0.000	0.000	0.000	0.000
597	A	630	TRP	0	-0.056	-0.043	12.076	-0.005	-0.005	0.000	0.000	0.000	0.000
598	A	631	SER	0	0.006	-0.005	14.219	-0.049	-0.049	0.000	0.000	0.000	0.000
599	A	632	GLU	-1	-0.799	-0.870	15.788	-0.286	-0.286	0.000	0.000	0.000	0.000
600	A	633	MET	0	-0.090	-0.028	14.506	0.000	0.000	0.000	0.000	0.000	0.000
601	A	634	GLU	-1	-0.783	-0.881	13.091	-0.870	-0.870	0.000	0.000	0.000	0.000
602	A	635	GLY	0	-0.013	0.011	15.756	0.034	0.034	0.000	0.000	0.000	0.000
603	A	636	ILE	0	-0.049	-0.026	13.741	0.043	0.043	0.000	0.000	0.000	0.000
604	A	637	PRO	0	0.030	0.002	18.360	-0.009	-0.009	0.000	0.000	0.000	0.000
605	A	638	GLN	0	0.002	0.013	16.814	-0.046	-0.046	0.000	0.000	0.000	0.000
606	A	639	GLY	0	0.007	0.009	16.627	0.036	0.036	0.000	0.000	0.000	0.000
607	A	640	GLU	-1	-0.783	-0.879	17.276	-0.069	-0.069	0.000	0.000	0.000	0.000
608	A	641	ILE	0	-0.015	0.014	15.849	0.000	0.000	0.000	0.000	0.000	0.000
609	A	642	VAL	0	0.009	0.004	19.047	0.022	0.022	0.000	0.000	0.000	0.000
610	A	643	TRP	0	-0.008	-0.012	18.094	-0.002	-0.002	0.000	0.000	0.000	0.000
611	A	644	ASP	-1	-0.777	-0.882	23.957	-0.075	-0.075	0.000	0.000	0.000	0.000
612	A	645	HIS	0	0.056	0.040	24.492	0.022	0.022	0.000	0.000	0.000	0.000
613	A	646	ASP	-1	-0.841	-0.898	22.817	-0.111	-0.111	0.000	0.000	0.000	0.000
614	A	647	TRP	0	0.003	-0.001	25.692	0.007	0.007	0.000	0.000	0.000	0.000
615	A	648	ILE	0	-0.005	0.012	25.078	0.001	0.001	0.000	0.000	0.000	0.000
616	A	649	ASN	0	0.030	0.012	28.991	0.001	0.001	0.000	0.000	0.000	0.000
617	A	650	ARG	1	0.744	0.843	28.854	-0.004	-0.004	0.000	0.000	0.000	0.000
618	A	651	THR	0	-0.015	-0.010	34.865	-0.003	-0.003	0.000	0.000	0.000	0.000
619	A	652	PHE	0	-0.015	-0.004	35.900	0.004	0.004	0.000	0.000	0.000	0.000
620	A	653	LYS	1	0.831	0.915	40.701	-0.010	-0.010	0.000	0.000	0.000	0.000
621	A	654	ALA	0	-0.004	0.015	43.946	0.003	0.003	0.000	0.000	0.000	0.000
622	A	655	GLU	-1	-0.789	-0.850	46.862	0.014	0.014	0.000	0.000	0.000	0.000
623	A	656	ASN	0	-0.031	-0.043	50.657	-0.003	-0.003	0.000	0.000	0.000	0.000
624	A	657	PHE	0	-0.017	0.003	44.617	0.002	0.002	0.000	0.000	0.000	0.000
625	A	658	GLN	0	0.021	0.004	49.866	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	659	ILE	0	-0.019	-0.016	47.947	0.001	0.001	0.000	0.000	0.000	0.000
627	A	660	LYS	1	0.917	0.953	51.447	-0.008	-0.008	0.000	0.000	0.000	0.000
628	A	661	GLY	0	0.020	0.011	52.332	0.000	0.000	0.000	0.000	0.000	0.000
629	A	662	GLY	0	-0.011	0.000	49.211	0.001	0.001	0.000	0.000	0.000	0.000
630	A	663	SER	0	-0.019	-0.007	46.664	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	664	ALA	0	0.022	0.022	45.041	0.001	0.001	0.000	0.000	0.000	0.000
632	A	665	VAL	0	-0.027	-0.017	41.529	-0.002	-0.002	0.000	0.000	0.000	0.000
633	A	666	VAL	0	0.006	0.012	41.110	0.002	0.002	0.000	0.000	0.000	0.000
634	A	667	SER	0	0.014	0.005	37.441	-0.004	-0.004	0.000	0.000	0.000	0.000
635	A	668	ARG	1	0.847	0.900	31.123	0.071	0.071	0.000	0.000	0.000	0.000
636	A	669	ASN	0	0.002	-0.008	32.625	0.000	0.000	0.000	0.000	0.000	0.000
637	A	670	VAL	0	0.050	0.055	34.874	0.004	0.004	0.000	0.000	0.000	0.000
638	A	671	SER	0	0.027	0.008	36.603	-0.004	-0.004	0.000	0.000	0.000	0.000
639	A	672	SER	0	-0.016	-0.007	38.749	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	673	ILE	0	-0.047	-0.016	41.098	0.002	0.002	0.000	0.000	0.000	0.000
641	A	674	GLU	-1	-0.843	-0.907	43.613	0.003	0.003	0.000	0.000	0.000	0.000
642	A	675	GLY	0	0.074	0.033	46.568	0.002	0.002	0.000	0.000	0.000	0.000
643	A	676	ASN	0	-0.034	-0.016	49.537	-0.003	-0.003	0.000	0.000	0.000	0.000
644	A	677	TRP	0	0.028	0.006	45.381	0.001	0.001	0.000	0.000	0.000	0.000
645	A	678	THR	0	-0.023	-0.015	52.265	0.000	0.000	0.000	0.000	0.000	0.000
646	A	679	VAL	0	-0.037	-0.008	52.268	0.001	0.001	0.000	0.000	0.000	0.000
647	A	680	SER	0	0.054	0.027	54.850	0.000	0.000	0.000	0.000	0.000	0.000
648	A	681	ASN	0	-0.058	-0.052	56.542	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	682	ASN	0	0.031	0.008	56.584	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	683	ALA	0	-0.030	0.018	52.274	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	684	ASN	0	0.018	-0.001	49.609	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	685	ALA	0	0.033	0.020	48.317	0.001	0.001	0.000	0.000	0.000	0.000
653	A	686	THR	0	-0.016	-0.006	45.333	-0.002	-0.002	0.000	0.000	0.000	0.000
654	A	687	PHE	0	-0.016	-0.019	44.508	0.001	0.001	0.000	0.000	0.000	0.000
655	A	688	GLY	0	0.069	0.040	42.177	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	689	VAL	0	-0.062	-0.029	37.894	0.000	0.000	0.000	0.000	0.000	0.000
657	A	690	VAL	0	0.004	-0.007	41.242	0.000	0.000	0.000	0.000	0.000	0.000
658	A	691	PRO	0	0.044	0.013	40.128	-0.002	-0.002	0.000	0.000	0.000	0.000
659	A	692	ASN	0	-0.022	-0.017	40.167	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	693	GLN	0	0.030	0.020	41.175	0.003	0.003	0.000	0.000	0.000	0.000
661	A	694	GLN	0	-0.016	-0.012	39.517	0.002	0.002	0.000	0.000	0.000	0.000
662	A	695	ASN	0	-0.014	-0.001	38.599	0.010	0.010	0.000	0.000	0.000	0.000
663	A	696	THR	0	0.010	-0.004	38.435	-0.004	-0.004	0.000	0.000	0.000	0.000
664	A	697	ILE	0	0.010	0.007	32.905	0.003	0.003	0.000	0.000	0.000	0.000
665	A	698	CYS	0	-0.062	-0.009	32.712	0.000	0.000	0.000	0.000	0.000	0.000
666	A	699	THR	0	0.048	0.019	28.649	-0.002	-0.002	0.000	0.000	0.000	0.000
667	A	700	ARG	1	0.725	0.834	27.821	-0.026	-0.026	0.000	0.000	0.000	0.000
668	A	701	SER	0	-0.041	-0.020	23.532	0.003	0.003	0.000	0.000	0.000	0.000
669	A	702	ASP	-1	-0.753	-0.846	21.107	0.004	0.004	0.000	0.000	0.000	0.000
670	A	703	TRP	0	-0.022	-0.013	15.447	0.023	0.023	0.000	0.000	0.000	0.000
671	A	704	THR	0	-0.010	-0.035	20.918	0.017	0.017	0.000	0.000	0.000	0.000
672	A	705	GLY	0	0.053	0.030	24.282	0.009	0.009	0.000	0.000	0.000	0.000
673	A	706	LEU	0	-0.023	-0.008	26.987	0.000	0.000	0.000	0.000	0.000	0.000
674	A	707	THR	0	-0.005	-0.019	28.835	-0.006	-0.006	0.000	0.000	0.000	0.000
675	A	708	THR	0	-0.018	-0.019	30.872	0.003	0.003	0.000	0.000	0.000	0.000
676	A	710	GLN	0	0.012	0.004	31.922	0.002	0.002	0.000	0.000	0.000	0.000
677	A	711	LYS	1	0.902	0.954	36.231	0.043	0.043	0.000	0.000	0.000	0.000
678	A	712	VAL	0	0.016	0.002	33.065	-0.004	-0.004	0.000	0.000	0.000	0.000
679	A	713	ASP	-1	-0.836	-0.913	35.963	-0.064	-0.064	0.000	0.000	0.000	0.000
680	A	714	LEU	0	-0.052	-0.010	35.498	-0.006	-0.006	0.000	0.000	0.000	0.000
681	A	715	THR	0	0.050	0.007	36.051	0.002	0.002	0.000	0.000	0.000	0.000
682	A	716	ASP	-1	-0.771	-0.874	31.222	-0.119	-0.119	0.000	0.000	0.000	0.000
683	A	717	THR	0	0.028	0.014	34.453	0.006	0.006	0.000	0.000	0.000	0.000
684	A	718	LYS	1	0.827	0.917	27.899	0.124	0.124	0.000	0.000	0.000	0.000
685	A	719	VAL	0	-0.017	-0.020	30.181	0.004	0.004	0.000	0.000	0.000	0.000
686	A	720	ILE	0	-0.003	0.018	32.227	0.008	0.008	0.000	0.000	0.000	0.000
687	A	721	ASN	0	-0.011	-0.015	34.805	0.009	0.009	0.000	0.000	0.000	0.000
688	A	722	SER	0	-0.095	-0.052	30.971	0.002	0.002	0.000	0.000	0.000	0.000
689	A	723	ILE	0	-0.058	-0.026	33.027	0.006	0.006	0.000	0.000	0.000	0.000
690	A	724	PRO	0	-0.007	0.005	35.281	0.000	0.000	0.000	0.000	0.000	0.000
691	A	725	LYS	1	0.865	0.932	38.242	0.034	0.034	0.000	0.000	0.000	0.000
692	A	726	THR	0	-0.028	-0.012	40.155	0.002	0.002	0.000	0.000	0.000	0.000
693	A	727	GLN	0	-0.023	-0.017	42.190	0.002	0.002	0.000	0.000	0.000	0.000
694	A	728	ILE	0	0.028	0.017	44.870	0.002	0.002	0.000	0.000	0.000	0.000
695	A	729	ASN	0	0.028	0.007	45.879	-0.002	-0.002	0.000	0.000	0.000	0.000
696	A	730	GLY	0	0.085	0.032	48.887	0.002	0.002	0.000	0.000	0.000	0.000
697	A	731	SER	0	-0.043	-0.015	51.947	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	732	ILE	0	-0.010	-0.006	51.094	0.000	0.000	0.000	0.000	0.000	0.000
699	A	733	ASN	0	-0.007	0.005	54.790	-0.001	-0.001	0.000	0.000	0.000	0.000
700	A	734	LEU	0	-0.011	-0.011	54.898	0.000	0.000	0.000	0.000	0.000	0.000
701	A	735	THR	0	0.023	-0.008	58.589	0.000	0.000	0.000	0.000	0.000	0.000
702	A	736	ASP	-1	-0.825	-0.901	60.198	-0.003	-0.003	0.000	0.000	0.000	0.000
703	A	737	ASN	0	0.015	-0.015	60.009	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	738	ALA	0	-0.055	0.008	56.182	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	739	THR	0	0.006	-0.007	53.505	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	740	ALA	0	-0.010	-0.011	51.863	0.001	0.001	0.000	0.000	0.000	0.000
707	A	741	ASN	0	-0.029	-0.014	49.551	-0.002	-0.002	0.000	0.000	0.000	0.000
708	A	742	VAL	0	0.033	0.018	48.042	0.000	0.000	0.000	0.000	0.000	0.000
709	A	743	LYS	1	0.926	0.957	43.255	0.035	0.035	0.000	0.000	0.000	0.000
710	A	744	GLY	0	0.046	0.027	44.455	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	745	LEU	0	-0.058	-0.028	38.939	0.002	0.002	0.000	0.000	0.000	0.000
712	A	746	ALA	0	0.000	-0.004	42.174	0.001	0.001	0.000	0.000	0.000	0.000
713	A	747	LYS	1	0.808	0.882	44.907	0.017	0.017	0.000	0.000	0.000	0.000
714	A	748	LEU	0	-0.012	0.015	47.679	0.001	0.001	0.000	0.000	0.000	0.000
715	A	749	ASN	0	-0.035	-0.013	47.774	-0.002	-0.002	0.000	0.000	0.000	0.000
716	A	750	GLY	0	0.074	0.034	51.642	0.002	0.002	0.000	0.000	0.000	0.000
717	A	751	ASN	0	0.001	0.015	54.690	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	752	VAL	0	0.032	0.017	55.379	0.001	0.001	0.000	0.000	0.000	0.000
719	A	753	THR	0	-0.069	-0.042	57.985	0.000	0.000	0.000	0.000	0.000	0.000
720	A	754	LEU	0	-0.003	0.010	59.402	0.000	0.000	0.000	0.000	0.000	0.000
721	A	755	THR	0	0.006	0.015	62.050	0.001	0.001	0.000	0.000	0.000	0.000
722	A	756	ASN	0	-0.010	-0.006	63.730	0.000	0.000	0.000	0.000	0.000	0.000
723	A	757	HIS	0	0.059	0.030	63.824	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	758	SER	0	-0.068	-0.028	59.444	-0.001	-0.001	0.000	0.000	0.000	0.000
725	A	759	GLN	0	0.017	-0.004	57.971	-0.002	-0.002	0.000	0.000	0.000	0.000
726	A	760	PHE	0	0.037	0.008	53.019	0.000	0.000	0.000	0.000	0.000	0.000
727	A	761	THR	0	-0.051	-0.031	53.104	-0.001	-0.001	0.000	0.000	0.000	0.000
728	A	762	LEU	0	-0.009	0.022	51.307	0.000	0.000	0.000	0.000	0.000	0.000
729	A	763	SER	0	0.047	0.005	50.712	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	764	ASN	0	-0.007	-0.012	47.528	-0.003	-0.003	0.000	0.000	0.000	0.000
731	A	765	ASN	0	-0.001	-0.010	47.646	-0.003	-0.003	0.000	0.000	0.000	0.000
732	A	766	ALA	0	-0.044	0.011	48.138	0.000	0.000	0.000	0.000	0.000	0.000
733	A	767	THR	0	-0.010	-0.027	49.081	0.000	0.000	0.000	0.000	0.000	0.000
734	A	768	GLN	0	-0.023	-0.021	50.708	0.000	0.000	0.000	0.000	0.000	0.000
735	A	769	ILE	0	-0.036	-0.014	52.069	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	770	GLY	0	0.004	0.004	54.737	0.001	0.001	0.000	0.000	0.000	0.000
737	A	771	ASN	0	0.000	-0.007	57.652	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	772	ILE	0	0.002	-0.001	57.912	0.000	0.000	0.000	0.000	0.000	0.000
739	A	773	ARG	1	0.832	0.911	61.187	0.007	0.007	0.000	0.000	0.000	0.000
740	A	774	LEU	0	0.001	-0.005	62.437	0.000	0.000	0.000	0.000	0.000	0.000
741	A	775	SER	0	0.038	0.013	65.365	0.000	0.000	0.000	0.000	0.000	0.000
742	A	776	ASP	-1	-0.851	-0.913	67.047	-0.005	-0.005	0.000	0.000	0.000	0.000
743	A	777	ASN	0	-0.007	-0.014	67.613	0.000	0.000	0.000	0.000	0.000	0.000
744	A	778	SER	0	-0.070	-0.024	62.955	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	779	THR	0	0.025	-0.003	61.709	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	780	ALA	0	-0.026	-0.008	59.460	0.000	0.000	0.000	0.000	0.000	0.000
747	A	781	THR	0	-0.005	-0.001	57.634	0.000	0.000	0.000	0.000	0.000	0.000
748	A	782	VAL	0	-0.019	-0.006	56.227	0.000	0.000	0.000	0.000	0.000	0.000
749	A	783	ASP	-1	-0.844	-0.923	54.757	-0.028	-0.028	0.000	0.000	0.000	0.000
750	A	784	ASN	0	0.027	0.006	51.873	-0.001	-0.001	0.000	0.000	0.000	0.000
751	A	785	ALA	0	-0.061	-0.007	52.421	-0.002	-0.002	0.000	0.000	0.000	0.000
752	A	786	ASN	0	0.027	0.012	51.550	0.001	0.001	0.000	0.000	0.000	0.000
753	A	787	LEU	0	0.018	0.018	54.286	0.000	0.000	0.000	0.000	0.000	0.000
754	A	788	ASN	0	-0.008	-0.001	55.851	0.000	0.000	0.000	0.000	0.000	0.000
755	A	789	GLY	0	0.018	0.003	57.658	0.001	0.001	0.000	0.000	0.000	0.000
756	A	790	ASN	0	0.023	0.011	60.500	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	791	VAL	0	0.001	0.000	62.306	0.000	0.000	0.000	0.000	0.000	0.000
758	A	792	HIS	0	-0.001	0.002	64.728	0.000	0.000	0.000	0.000	0.000	0.000
759	A	793	LEU	0	0.013	0.014	66.954	0.000	0.000	0.000	0.000	0.000	0.000
760	A	794	THR	0	0.020	-0.021	68.868	0.000	0.000	0.000	0.000	0.000	0.000
761	A	795	ASP	-1	-0.809	-0.882	70.804	-0.006	-0.006	0.000	0.000	0.000	0.000
762	A	796	SER	0	-0.027	-0.012	71.716	0.000	0.000	0.000	0.000	0.000	0.000
763	A	797	ALA	0	-0.033	0.013	66.847	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	798	GLN	0	-0.001	-0.022	66.199	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	799	PHE	0	0.019	0.001	60.577	0.000	0.000	0.000	0.000	0.000	0.000
766	A	800	SER	0	-0.033	-0.014	61.810	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	801	LEU	0	0.005	0.008	59.983	0.000	0.000	0.000	0.000	0.000	0.000
768	A	802	LYS	1	0.915	0.952	58.735	0.023	0.023	0.000	0.000	0.000	0.000
769	A	803	ASN	0	-0.019	-0.014	56.843	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	804	SER	0	0.012	-0.009	57.080	-0.002	-0.002	0.000	0.000	0.000	0.000
771	A	805	HIS	0	-0.032	-0.019	58.501	0.001	0.001	0.000	0.000	0.000	0.000
772	A	806	PHE	0	-0.016	-0.010	59.472	0.000	0.000	0.000	0.000	0.000	0.000
773	A	807	SER	0	0.031	0.016	61.761	0.000	0.000	0.000	0.000	0.000	0.000
774	A	808	HIS	0	-0.012	-0.006	60.088	0.001	0.001	0.000	0.000	0.000	0.000
775	A	809	GLN	0	-0.006	-0.017	64.798	0.000	0.000	0.000	0.000	0.000	0.000
776	A	810	ILE	0	-0.014	-0.014	65.780	0.000	0.000	0.000	0.000	0.000	0.000
777	A	811	GLN	0	-0.015	0.008	68.270	0.000	0.000	0.000	0.000	0.000	0.000
778	A	812	GLY	0	0.018	0.007	69.961	0.000	0.000	0.000	0.000	0.000	0.000
779	A	813	ASP	-1	-0.871	-0.940	72.356	-0.007	-0.007	0.000	0.000	0.000	0.000
780	A	814	LYS	1	0.931	0.964	75.193	0.006	0.006	0.000	0.000	0.000	0.000
781	A	815	GLY	0	0.056	0.029	75.409	0.000	0.000	0.000	0.000	0.000	0.000
782	A	816	THR	0	-0.078	-0.022	70.990	-0.001	-0.001	0.000	0.000	0.000	0.000
783	A	817	THR	0	-0.002	-0.008	70.364	0.000	0.000	0.000	0.000	0.000	0.000
784	A	818	VAL	0	0.009	0.015	66.968	0.000	0.000	0.000	0.000	0.000	0.000
785	A	819	THR	0	0.013	0.000	66.021	0.000	0.000	0.000	0.000	0.000	0.000
786	A	820	LEU	0	-0.010	-0.001	65.036	0.000	0.000	0.000	0.000	0.000	0.000
787	A	821	GLU	-1	-0.816	-0.901	62.638	-0.023	-0.023	0.000	0.000	0.000	0.000
788	A	822	ASN	0	-0.015	-0.001	60.532	0.000	0.000	0.000	0.000	0.000	0.000
789	A	823	ALA	0	-0.017	0.003	61.528	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	824	THR	0	0.004	-0.004	62.449	0.001	0.001	0.000	0.000	0.000	0.000
791	A	825	TRP	0	-0.023	-0.024	63.679	0.000	0.000	0.000	0.000	0.000	0.000
792	A	826	THR	0	-0.020	-0.013	65.745	0.000	0.000	0.000	0.000	0.000	0.000
793	A	827	MET	0	-0.003	0.007	67.059	0.000	0.000	0.000	0.000	0.000	0.000
794	A	828	PRO	0	-0.042	-0.011	66.771	0.000	0.000	0.000	0.000	0.000	0.000
795	A	829	SER	0	-0.037	-0.020	69.501	0.000	0.000	0.000	0.000	0.000	0.000
796	A	830	ASP	-1	-0.798	-0.885	72.997	-0.011	-0.011	0.000	0.000	0.000	0.000
797	A	831	THR	0	-0.029	-0.006	71.701	0.000	0.000	0.000	0.000	0.000	0.000
798	A	832	THR	0	-0.034	-0.019	74.290	0.000	0.000	0.000	0.000	0.000	0.000
799	A	833	LEU	0	0.030	0.024	70.696	0.000	0.000	0.000	0.000	0.000	0.000
800	A	834	GLN	0	-0.022	0.006	74.591	0.001	0.001	0.000	0.000	0.000	0.000
801	A	835	ASN	0	0.006	-0.008	73.889	0.000	0.000	0.000	0.000	0.000	0.000
802	A	836	LEU	0	-0.016	-0.008	70.486	0.000	0.000	0.000	0.000	0.000	0.000
803	A	837	THR	0	0.014	0.006	69.930	0.000	0.000	0.000	0.000	0.000	0.000
804	A	838	LEU	0	-0.036	-0.008	69.560	-0.001	-0.001	0.000	0.000	0.000	0.000
805	A	839	ASN	0	0.027	-0.004	66.039	0.000	0.000	0.000	0.000	0.000	0.000
806	A	840	ASN	0	-0.001	0.008	64.399	0.000	0.000	0.000	0.000	0.000	0.000
807	A	841	SER	0	-0.011	-0.008	66.032	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	842	THR	0	-0.051	-0.024	67.175	0.001	0.001	0.000	0.000	0.000	0.000
809	A	843	ILE	0	-0.003	0.001	67.958	0.000	0.000	0.000	0.000	0.000	0.000
810	A	844	THR	0	-0.031	-0.007	69.017	0.000	0.000	0.000	0.000	0.000	0.000
811	A	845	LEU	0	0.013	0.007	70.812	0.000	0.000	0.000	0.000	0.000	0.000
812	A	846	ASN	0	-0.034	-0.034	72.572	0.000	0.000	0.000	0.000	0.000	0.000
813	A	847	SER	0	0.053	0.019	68.466	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	848	ALA	0	-0.015	-0.007	69.749	-0.001	-0.001	0.000	0.000	0.000	0.000
815	A	849	TYR	0	-0.037	-0.029	70.277	0.000	0.000	0.000	0.000	0.000	0.000
816	A	850	SER	0	-0.028	-0.003	67.547	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	874	ARG	1	0.898	0.926	77.136	0.014	0.014	0.000	0.000	0.000	0.000
818	A	875	PHE	0	-0.074	-0.034	77.407	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	876	ASN	0	0.001	0.006	73.326	0.001	0.001	0.000	0.000	0.000	0.000
820	A	877	THR	0	-0.030	-0.026	77.422	0.000	0.000	0.000	0.000	0.000	0.000
821	A	878	LEU	0	0.002	0.006	73.379	0.000	0.000	0.000	0.000	0.000	0.000
822	A	879	THR	0	-0.003	-0.007	76.724	0.000	0.000	0.000	0.000	0.000	0.000
823	A	880	VAL	0	-0.010	-0.008	75.809	0.000	0.000	0.000	0.000	0.000	0.000
824	A	881	ASN	0	0.007	-0.013	78.207	0.000	0.000	0.000	0.000	0.000	0.000
825	A	882	GLY	0	0.005	0.014	79.107	0.001	0.001	0.000	0.000	0.000	0.000
826	A	883	LYS	1	0.783	0.907	76.830	0.012	0.012	0.000	0.000	0.000	0.000
827	A	884	LEU	0	0.042	0.031	75.070	0.000	0.000	0.000	0.000	0.000	0.000
828	A	885	SER	0	-0.020	-0.015	74.750	0.000	0.000	0.000	0.000	0.000	0.000
829	A	886	GLY	0	0.055	0.030	73.208	0.000	0.000	0.000	0.000	0.000	0.000
830	A	887	GLN	0	0.027	-0.008	70.821	0.000	0.000	0.000	0.000	0.000	0.000
831	A	888	GLY	0	0.014	0.011	71.557	0.000	0.000	0.000	0.000	0.000	0.000
832	A	889	THR	0	-0.013	-0.005	71.381	0.001	0.001	0.000	0.000	0.000	0.000
833	A	890	PHE	0	0.039	0.023	72.283	0.000	0.000	0.000	0.000	0.000	0.000
834	A	891	GLN	0	0.001	-0.004	69.553	0.000	0.000	0.000	0.000	0.000	0.000
835	A	892	PHE	0	0.012	0.006	74.299	0.000	0.000	0.000	0.000	0.000	0.000
836	A	893	THR	0	-0.077	-0.048	75.156	0.000	0.000	0.000	0.000	0.000	0.000
837	A	894	SER	0	0.006	-0.031	77.933	0.000	0.000	0.000	0.000	0.000	0.000
838	A	895	SER	0	-0.054	-0.040	81.629	0.000	0.000	0.000	0.000	0.000	0.000
839	A	896	LEU	0	0.034	0.011	84.416	0.000	0.000	0.000	0.000	0.000	0.000
840	A	897	PHE	0	-0.076	-0.018	87.309	0.000	0.000	0.000	0.000	0.000	0.000
841	A	898	GLY	0	0.043	0.019	88.142	0.000	0.000	0.000	0.000	0.000	0.000
842	A	899	TYR	0	-0.050	-0.038	88.599	0.000	0.000	0.000	0.000	0.000	0.000
843	A	900	LYS	1	0.921	0.972	84.573	0.010	0.010	0.000	0.000	0.000	0.000
844	A	901	SER	0	0.030	-0.026	81.743	0.000	0.000	0.000	0.000	0.000	0.000
845	A	902	ASP	-1	-0.737	-0.810	77.078	-0.014	-0.014	0.000	0.000	0.000	0.000
846	A	903	LYS	1	0.855	0.941	79.396	0.011	0.011	0.000	0.000	0.000	0.000
847	A	904	LEU	0	0.012	0.017	76.964	0.000	0.000	0.000	0.000	0.000	0.000
848	A	905	LYS	1	0.829	0.915	80.086	0.010	0.010	0.000	0.000	0.000	0.000
849	A	906	LEU	0	0.021	0.007	78.891	0.000	0.000	0.000	0.000	0.000	0.000
850	A	907	SER	0	0.015	-0.019	82.036	0.000	0.000	0.000	0.000	0.000	0.000
851	A	908	ASN	0	-0.013	-0.030	84.258	0.000	0.000	0.000	0.000	0.000	0.000
852	A	909	ASP	-1	-0.827	-0.915	82.190	-0.011	-0.011	0.000	0.000	0.000	0.000
853	A	910	ALA	0	-0.031	0.014	80.706	0.000	0.000	0.000	0.000	0.000	0.000
854	A	911	GLU	-1	-0.789	-0.878	79.414	-0.013	-0.013	0.000	0.000	0.000	0.000
855	A	912	GLY	0	0.033	0.029	78.019	0.000	0.000	0.000	0.000	0.000	0.000
856	A	913	ASP	-1	-0.839	-0.906	77.494	-0.017	-0.017	0.000	0.000	0.000	0.000
857	A	914	TYR	0	-0.016	-0.025	74.579	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	915	ILE	0	-0.006	-0.001	73.856	0.000	0.000	0.000	0.000	0.000	0.000
859	A	916	LEU	0	-0.001	0.001	76.478	0.000	0.000	0.000	0.000	0.000	0.000
860	A	917	SER	0	-0.022	-0.023	74.943	0.000	0.000	0.000	0.000	0.000	0.000
861	A	918	VAL	0	0.036	0.004	77.045	0.000	0.000	0.000	0.000	0.000	0.000
862	A	919	ARG	1	0.895	0.957	72.788	0.020	0.020	0.000	0.000	0.000	0.000
863	A	920	ASN	0	0.050	0.032	78.002	0.001	0.001	0.000	0.000	0.000	0.000
864	A	921	THR	0	-0.024	-0.011	78.547	0.000	0.000	0.000	0.000	0.000	0.000
865	A	922	GLY	0	0.056	-0.001	81.873	0.000	0.000	0.000	0.000	0.000	0.000
866	A	923	DLY	1	0.729	0.880	84.125	0.011	0.011	0.000	0.000	0.000	0.000
867	A	924	GLU	-1	-0.750	-0.862	87.884	-0.013	-0.013	0.000	0.000	0.000	0.000
868	A	925	PRO	0	-0.067	-0.039	89.626	0.000	0.000	0.000	0.000	0.000	0.000
869	A	926	GLU	-1	-0.813	-0.887	92.346	-0.011	-0.011	0.000	0.000	0.000	0.000
870	A	927	THR	0	-0.028	-0.029	95.215	0.000	0.000	0.000	0.000	0.000	0.000
871	A	928	LEU	0	-0.027	0.004	95.076	0.000	0.000	0.000	0.000	0.000	0.000
872	A	929	GLU	-1	-0.820	-0.883	93.550	-0.009	-0.009	0.000	0.000	0.000	0.000
873	A	930	GLN	0	-0.050	-0.041	92.082	0.000	0.000	0.000	0.000	0.000	0.000
874	A	931	LEU	0	-0.028	-0.020	85.251	0.000	0.000	0.000	0.000	0.000	0.000
875	A	932	THR	0	-0.046	-0.012	86.514	0.000	0.000	0.000	0.000	0.000	0.000
876	A	933	LEU	0	-0.023	-0.004	81.911	0.000	0.000	0.000	0.000	0.000	0.000
877	A	934	VAL	0	-0.018	-0.020	81.332	0.000	0.000	0.000	0.000	0.000	0.000
878	A	935	GLU	-1	-0.764	-0.872	83.759	-0.010	-0.010	0.000	0.000	0.000	0.000
879	A	936	SER	0	0.024	0.003	84.885	0.000	0.000	0.000	0.000	0.000	0.000
880	A	937	LYS	1	0.812	0.893	83.542	0.009	0.009	0.000	0.000	0.000	0.000
881	A	938	ASP	-1	-0.910	-0.958	86.033	-0.008	-0.008	0.000	0.000	0.000	0.000
882	A	939	ASN	0	0.012	0.002	89.817	0.000	0.000	0.000	0.000	0.000	0.000
883	A	940	GLN	0	-0.022	0.009	90.851	0.000	0.000	0.000	0.000	0.000	0.000
884	A	941	PRO	0	0.020	0.012	90.447	0.000	0.000	0.000	0.000	0.000	0.000
885	A	942	LEU	0	0.004	0.021	84.993	0.000	0.000	0.000	0.000	0.000	0.000
886	A	943	SER	0	-0.026	-0.014	84.764	0.000	0.000	0.000	0.000	0.000	0.000
887	A	944	ASP	-1	-0.843	-0.922	87.181	-0.012	-0.012	0.000	0.000	0.000	0.000
888	A	945	LYS	1	0.743	0.868	83.230	0.012	0.012	0.000	0.000	0.000	0.000
889	A	946	LEU	0	-0.032	0.003	80.797	-0.001	-0.001	0.000	0.000	0.000	0.000
890	A	947	LYS	1	0.825	0.897	81.231	0.017	0.017	0.000	0.000	0.000	0.000
891	A	948	PHE	0	0.029	0.003	78.852	0.000	0.000	0.000	0.000	0.000	0.000
892	A	949	THR	0	-0.016	-0.005	79.613	0.000	0.000	0.000	0.000	0.000	0.000
893	A	950	LEU	0	-0.023	0.001	79.753	0.000	0.000	0.000	0.000	0.000	0.000
894	A	951	GLU	-1	-0.813	-0.875	74.750	-0.021	-0.021	0.000	0.000	0.000	0.000
895	A	952	ASN	0	-0.065	-0.050	76.892	0.000	0.000	0.000	0.000	0.000	0.000
896	A	953	ASP	-1	-0.822	-0.893	80.359	-0.016	-0.016	0.000	0.000	0.000	0.000
897	A	954	HIS	0	-0.092	-0.060	83.481	0.000	0.000	0.000	0.000	0.000	0.000
898	A	955	VAL	0	0.002	0.004	82.447	0.000	0.000	0.000	0.000	0.000	0.000
899	A	956	ASP	-1	-0.751	-0.837	84.378	-0.015	-0.015	0.000	0.000	0.000	0.000
900	A	957	ALA	0	-0.047	-0.043	85.158	0.000	0.000	0.000	0.000	0.000	0.000
901	A	958	GLY	0	0.039	0.027	87.545	0.000	0.000	0.000	0.000	0.000	0.000
902	A	959	ALA	0	-0.017	-0.015	89.394	0.000	0.000	0.000	0.000	0.000	0.000
903	A	960	LEU	0	-0.053	-0.015	91.614	0.000	0.000	0.000	0.000	0.000	0.000
904	A	961	ARG	1	0.834	0.898	87.362	0.015	0.015	0.000	0.000	0.000	0.000
905	A	962	TYR	0	-0.007	-0.026	87.915	0.000	0.000	0.000	0.000	0.000	0.000
906	A	963	LYS	1	0.802	0.871	87.510	0.015	0.015	0.000	0.000	0.000	0.000
907	A	964	LEU	0	-0.009	0.005	83.170	0.000	0.000	0.000	0.000	0.000	0.000
908	A	965	VAL	0	-0.010	-0.001	87.085	0.000	0.000	0.000	0.000	0.000	0.000
909	A	966	LYS	1	0.824	0.905	88.402	0.012	0.012	0.000	0.000	0.000	0.000
910	A	967	ASN	0	-0.019	-0.019	90.355	0.000	0.000	0.000	0.000	0.000	0.000
911	A	968	ASP	-1	-0.825	-0.904	92.670	-0.009	-0.009	0.000	0.000	0.000	0.000
912	A	969	GLY	0	0.028	0.025	92.396	0.000	0.000	0.000	0.000	0.000	0.000
913	A	970	GLU	-1	-0.789	-0.892	88.644	-0.010	-0.010	0.000	0.000	0.000	0.000
914	A	971	PHE	0	0.000	-0.014	85.259	0.000	0.000	0.000	0.000	0.000	0.000
915	A	972	ARG	1	0.777	0.861	86.560	0.010	0.010	0.000	0.000	0.000	0.000
916	A	973	LEU	0	0.000	0.005	84.298	0.000	0.000	0.000	0.000	0.000	0.000
917	A	974	HIS	0	0.063	0.022	88.360	0.001	0.001	0.000	0.000	0.000	0.000
918	A	975	ASN	0	0.078	0.051	91.650	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	976	PRO	0	-0.070	-0.030	92.683	0.001	0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:26:GLY)