FMO DATABASE

FMODB ID: L77R9

Calculation Name: 5BP1-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5BP1

Chain ID: A

ChEMBL ID:

UniProt ID: A0R1E8

Base Structure: X-ray

Registration Date: 2023-09-27

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	817
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-18568664.767178
FMO2-HF: Nuclear repulsion	18265743.548168
FMO2-HF: Total energy	-302921.21901
FMO2-MP2: Total energy	-303801.962844

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:4:ASN)

Summations of interaction energy for fragment #1(A:4:ASN)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-25.538	-18.376	6.679	-5.439	-8.4	-0.024

Interaction energy analysis for fragmet #1(A:4:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.019 / q_NPA : -0.004

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	6	VAL	0	0.002	0.007	3.590	0.058	2.660	-0.009	-1.207	-1.384	0.006
4	A	7	ALA	0	0.048	0.024	3.419	-4.255	-3.830	0.010	-0.263	-0.172	-0.002
5	A	8	PRO	0	-0.025	-0.006	4.376	0.217	0.306	-0.001	-0.004	-0.084	0.000
6	A	9	VAL	0	0.034	0.014	6.312	0.741	0.741	0.000	0.000	0.000	0.000
7	A	10	ALA	0	-0.026	-0.002	9.931	0.089	0.089	0.000	0.000	0.000	0.000
8	A	11	ILE	0	-0.005	-0.011	12.803	0.070	0.070	0.000	0.000	0.000	0.000
9	A	12	ILE	0	0.056	0.022	15.821	0.071	0.071	0.000	0.000	0.000	0.000
10	A	13	GLY	0	0.048	0.027	18.702	0.096	0.096	0.000	0.000	0.000	0.000
11	A	14	MET	0	-0.088	-0.030	20.713	-0.079	-0.079	0.000	0.000	0.000	0.000
12	A	15	ALA	0	0.021	0.032	22.944	0.044	0.044	0.000	0.000	0.000	0.000
13	A	16	CYS	0	-0.055	-0.047	25.945	-0.027	-0.027	0.000	0.000	0.000	0.000
14	A	17	ARG	1	0.837	0.908	28.371	0.331	0.331	0.000	0.000	0.000	0.000
15	A	18	LEU	0	-0.007	-0.012	28.368	-0.008	-0.008	0.000	0.000	0.000	0.000
16	A	19	PRO	0	0.017	0.004	32.717	0.011	0.011	0.000	0.000	0.000	0.000
17	A	20	GLY	0	0.036	0.010	35.405	-0.004	-0.004	0.000	0.000	0.000	0.000
18	A	21	ALA	0	-0.009	0.002	37.460	0.002	0.002	0.000	0.000	0.000	0.000
19	A	22	ILE	0	-0.056	-0.003	31.339	-0.004	-0.004	0.000	0.000	0.000	0.000
20	A	23	ASN	0	0.033	-0.002	32.469	-0.025	-0.025	0.000	0.000	0.000	0.000
21	A	24	SER	0	0.038	0.004	29.721	-0.009	-0.009	0.000	0.000	0.000	0.000
22	A	25	PRO	0	0.073	0.026	25.248	0.018	0.018	0.000	0.000	0.000	0.000
23	A	26	GLN	0	-0.065	-0.043	27.366	-0.008	-0.008	0.000	0.000	0.000	0.000
24	A	27	GLN	0	0.030	0.020	29.756	0.015	0.015	0.000	0.000	0.000	0.000
25	A	28	LEU	0	0.045	0.025	26.274	0.015	0.015	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.011	-0.019	25.118	0.009	0.009	0.000	0.000	0.000	0.000
27	A	30	GLU	-1	-0.895	-0.944	28.973	-0.212	-0.212	0.000	0.000	0.000	0.000
28	A	31	ALA	0	0.008	0.000	32.412	0.017	0.017	0.000	0.000	0.000	0.000
29	A	32	LEU	0	-0.034	-0.017	26.938	0.011	0.011	0.000	0.000	0.000	0.000
30	A	33	LEU	0	-0.034	-0.014	29.661	0.016	0.016	0.000	0.000	0.000	0.000
31	A	34	ARG	1	0.788	0.896	32.440	0.215	0.215	0.000	0.000	0.000	0.000
32	A	35	GLY	0	-0.023	0.002	33.897	0.013	0.013	0.000	0.000	0.000	0.000
33	A	36	ASP	-1	-0.820	-0.891	34.921	-0.181	-0.181	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.810	-0.910	34.805	-0.187	-0.187	0.000	0.000	0.000	0.000
35	A	38	PHE	0	-0.009	-0.011	33.865	0.006	0.006	0.000	0.000	0.000	0.000
36	A	39	VAL	0	-0.057	-0.015	35.648	-0.003	-0.003	0.000	0.000	0.000	0.000
37	A	40	THR	0	-0.012	-0.008	38.189	0.010	0.010	0.000	0.000	0.000	0.000
38	A	41	GLU	-1	-0.810	-0.883	41.738	-0.121	-0.121	0.000	0.000	0.000	0.000
39	A	42	ILE	0	-0.015	-0.006	43.184	-0.005	-0.005	0.000	0.000	0.000	0.000
40	A	43	PRO	0	0.039	0.034	43.171	0.008	0.008	0.000	0.000	0.000	0.000
41	A	44	THR	0	-0.036	-0.034	46.106	0.000	0.000	0.000	0.000	0.000	0.000
42	A	45	GLY	0	-0.017	-0.003	47.679	0.004	0.004	0.000	0.000	0.000	0.000
43	A	46	ARG	1	0.836	0.898	39.744	0.205	0.205	0.000	0.000	0.000	0.000
44	A	66	LYS	1	0.796	0.850	42.931	0.117	0.117	0.000	0.000	0.000	0.000
45	A	67	TRP	0	0.000	0.008	40.412	0.002	0.002	0.000	0.000	0.000	0.000
46	A	68	GLY	0	0.030	0.001	37.750	-0.004	-0.004	0.000	0.000	0.000	0.000
47	A	69	ALA	0	0.009	0.031	34.908	0.007	0.007	0.000	0.000	0.000	0.000
48	A	70	PHE	0	-0.003	-0.018	36.223	-0.013	-0.013	0.000	0.000	0.000	0.000
49	A	71	LEU	0	-0.010	-0.007	34.068	0.001	0.001	0.000	0.000	0.000	0.000
50	A	72	ASP	-1	-0.900	-0.961	37.954	-0.202	-0.202	0.000	0.000	0.000	0.000
51	A	73	ASP	-1	-0.805	-0.920	39.975	-0.192	-0.192	0.000	0.000	0.000	0.000
52	A	74	PRO	0	-0.069	-0.025	37.773	-0.010	-0.010	0.000	0.000	0.000	0.000
53	A	75	ALA	0	-0.024	-0.015	38.518	-0.011	-0.011	0.000	0.000	0.000	0.000
54	A	76	ALA	0	-0.023	0.005	39.972	0.004	0.004	0.000	0.000	0.000	0.000
55	A	77	PHE	0	-0.026	-0.031	36.301	-0.014	-0.014	0.000	0.000	0.000	0.000
56	A	78	ASP	-1	-0.700	-0.826	39.121	-0.222	-0.222	0.000	0.000	0.000	0.000
57	A	79	PRO	0	-0.029	-0.016	39.994	-0.010	-0.010	0.000	0.000	0.000	0.000
58	A	80	GLU	-1	-0.909	-0.959	41.551	-0.191	-0.191	0.000	0.000	0.000	0.000
59	A	81	PHE	0	-0.007	0.002	35.179	0.001	0.001	0.000	0.000	0.000	0.000
60	A	82	PHE	0	-0.031	-0.020	33.821	-0.014	-0.014	0.000	0.000	0.000	0.000
61	A	83	GLY	0	-0.011	0.011	38.727	-0.004	-0.004	0.000	0.000	0.000	0.000
62	A	84	ILE	0	-0.067	-0.029	38.294	0.004	0.004	0.000	0.000	0.000	0.000
63	A	85	THR	0	0.027	0.004	42.894	0.008	0.008	0.000	0.000	0.000	0.000
64	A	86	GLU	-1	-0.794	-0.921	45.106	-0.179	-0.179	0.000	0.000	0.000	0.000
65	A	87	ARG	1	0.896	0.941	46.451	0.148	0.148	0.000	0.000	0.000	0.000
66	A	88	GLU	-1	-0.918	-0.958	42.004	-0.227	-0.227	0.000	0.000	0.000	0.000
67	A	89	ALA	0	0.032	0.012	41.831	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	90	ALA	0	-0.023	-0.009	42.230	-0.006	-0.006	0.000	0.000	0.000	0.000
69	A	91	ALA	0	-0.034	-0.022	44.272	0.001	0.001	0.000	0.000	0.000	0.000
70	A	92	ILE	0	-0.079	-0.020	37.837	-0.008	-0.008	0.000	0.000	0.000	0.000
71	A	93	ASP	-1	-0.796	-0.892	35.824	-0.283	-0.283	0.000	0.000	0.000	0.000
72	A	94	PRO	0	0.074	0.018	37.196	-0.013	-0.013	0.000	0.000	0.000	0.000
73	A	95	GLN	0	-0.016	-0.024	32.812	-0.025	-0.025	0.000	0.000	0.000	0.000
74	A	96	HIS	0	0.000	-0.012	32.814	-0.020	-0.020	0.000	0.000	0.000	0.000
75	A	97	ARG	1	0.836	0.936	33.353	0.220	0.220	0.000	0.000	0.000	0.000
76	A	98	LEU	0	0.060	0.035	32.814	-0.008	-0.008	0.000	0.000	0.000	0.000
77	A	99	LEU	0	-0.023	-0.003	27.470	-0.019	-0.019	0.000	0.000	0.000	0.000
78	A	100	LEU	0	-0.029	-0.002	29.553	-0.025	-0.025	0.000	0.000	0.000	0.000
79	A	101	GLU	-1	-0.728	-0.832	31.319	-0.295	-0.295	0.000	0.000	0.000	0.000
80	A	102	THR	0	-0.012	-0.020	27.529	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	103	ALA	0	-0.009	-0.017	26.484	-0.027	-0.027	0.000	0.000	0.000	0.000
82	A	104	TRP	0	0.015	0.005	26.964	-0.030	-0.030	0.000	0.000	0.000	0.000
83	A	105	GLU	-1	-0.787	-0.886	29.017	-0.362	-0.362	0.000	0.000	0.000	0.000
84	A	106	ALA	0	-0.021	-0.010	23.720	-0.005	-0.005	0.000	0.000	0.000	0.000
85	A	107	VAL	0	0.033	0.032	24.371	-0.042	-0.042	0.000	0.000	0.000	0.000
86	A	108	GLU	-1	-0.737	-0.868	25.828	-0.343	-0.343	0.000	0.000	0.000	0.000
87	A	109	HIS	0	-0.070	-0.030	23.712	-0.023	-0.023	0.000	0.000	0.000	0.000
88	A	110	SER	0	-0.028	-0.028	22.253	-0.031	-0.031	0.000	0.000	0.000	0.000
89	A	111	GLY	0	-0.047	-0.017	23.802	-0.012	-0.012	0.000	0.000	0.000	0.000
90	A	112	LEU	0	0.000	0.009	22.373	0.006	0.006	0.000	0.000	0.000	0.000
91	A	113	ASN	0	0.084	0.035	26.946	0.006	0.006	0.000	0.000	0.000	0.000
92	A	114	PRO	0	0.033	0.012	29.016	-0.012	-0.012	0.000	0.000	0.000	0.000
93	A	115	ALA	0	0.019	0.014	30.094	-0.009	-0.009	0.000	0.000	0.000	0.000
94	A	116	GLY	0	-0.033	-0.018	29.615	0.007	0.007	0.000	0.000	0.000	0.000
95	A	117	LEU	0	-0.024	-0.005	24.297	-0.019	-0.019	0.000	0.000	0.000	0.000
96	A	118	ALA	0	0.038	0.048	27.491	-0.025	-0.025	0.000	0.000	0.000	0.000
97	A	119	GLY	0	-0.005	-0.007	29.371	0.006	0.006	0.000	0.000	0.000	0.000
98	A	120	SER	0	-0.056	-0.043	24.046	-0.030	-0.030	0.000	0.000	0.000	0.000
99	A	121	ALA	0	0.041	0.023	21.456	0.017	0.017	0.000	0.000	0.000	0.000
100	A	122	THR	0	0.001	-0.012	20.945	-0.104	-0.104	0.000	0.000	0.000	0.000
101	A	123	GLY	0	0.014	0.018	20.565	0.047	0.047	0.000	0.000	0.000	0.000
102	A	124	VAL	0	-0.051	-0.033	21.550	-0.015	-0.015	0.000	0.000	0.000	0.000
103	A	125	PHE	0	-0.011	-0.016	18.996	0.016	0.016	0.000	0.000	0.000	0.000
104	A	126	MET	0	0.002	0.012	22.122	-0.027	-0.027	0.000	0.000	0.000	0.000
105	A	127	GLY	0	0.008	-0.008	24.651	0.003	0.003	0.000	0.000	0.000	0.000
106	A	128	LEU	0	-0.069	-0.039	25.620	0.012	0.012	0.000	0.000	0.000	0.000
107	A	129	THR	0	0.007	0.011	29.232	-0.007	-0.007	0.000	0.000	0.000	0.000
108	A	130	HIS	0	0.015	0.002	29.386	0.019	0.019	0.000	0.000	0.000	0.000
109	A	131	ASN	0	-0.004	0.007	34.053	0.005	0.005	0.000	0.000	0.000	0.000
110	A	152	THR	0	-0.033	-0.030	34.384	-0.008	-0.008	0.000	0.000	0.000	0.000
111	A	153	SER	0	0.015	0.012	30.406	0.001	0.001	0.000	0.000	0.000	0.000
112	A	154	PHE	0	0.020	0.001	32.267	-0.006	-0.006	0.000	0.000	0.000	0.000
113	A	155	SER	0	0.041	0.044	28.181	0.003	0.003	0.000	0.000	0.000	0.000
114	A	156	LEU	0	-0.003	-0.013	30.215	-0.013	-0.013	0.000	0.000	0.000	0.000
115	A	157	ALA	0	0.010	0.009	30.076	-0.001	-0.001	0.000	0.000	0.000	0.000
116	A	158	SER	0	0.036	-0.015	25.752	0.008	0.008	0.000	0.000	0.000	0.000
117	A	159	GLY	0	0.031	0.018	28.237	-0.012	-0.012	0.000	0.000	0.000	0.000
118	A	160	ARG	1	0.898	0.942	30.656	0.307	0.307	0.000	0.000	0.000	0.000
119	A	161	ILE	0	0.038	0.016	27.027	0.009	0.009	0.000	0.000	0.000	0.000
120	A	162	ALA	0	0.018	0.009	27.772	-0.003	-0.003	0.000	0.000	0.000	0.000
121	A	163	TYR	0	-0.033	-0.019	29.087	0.007	0.007	0.000	0.000	0.000	0.000
122	A	164	ALA	0	-0.014	-0.007	32.015	0.012	0.012	0.000	0.000	0.000	0.000
123	A	165	LEU	0	-0.009	-0.005	26.885	0.007	0.007	0.000	0.000	0.000	0.000
124	A	166	GLY	0	0.020	0.024	30.482	-0.001	-0.001	0.000	0.000	0.000	0.000
125	A	167	VAL	0	-0.066	-0.010	26.077	0.000	0.000	0.000	0.000	0.000	0.000
126	A	168	HIS	0	-0.075	-0.035	25.700	0.004	0.004	0.000	0.000	0.000	0.000
127	A	169	GLY	0	0.085	0.030	23.692	-0.040	-0.040	0.000	0.000	0.000	0.000
128	A	170	PRO	0	-0.057	-0.008	20.289	0.059	0.059	0.000	0.000	0.000	0.000
129	A	171	ALA	0	0.054	0.025	23.536	-0.018	-0.018	0.000	0.000	0.000	0.000
130	A	172	ILE	0	-0.044	-0.028	22.307	0.045	0.045	0.000	0.000	0.000	0.000
131	A	173	THR	0	-0.042	-0.002	24.661	-0.002	-0.002	0.000	0.000	0.000	0.000
132	A	174	VAL	0	-0.018	-0.022	22.532	-0.003	-0.003	0.000	0.000	0.000	0.000
133	A	175	ASP	-1	-0.724	-0.863	25.710	-0.336	-0.336	0.000	0.000	0.000	0.000
134	A	176	THR	0	-0.080	-0.037	24.659	-0.005	-0.005	0.000	0.000	0.000	0.000
135	A	177	ALA	0	0.010	0.010	26.616	0.010	0.010	0.000	0.000	0.000	0.000
136	A	178	CYS	0	-0.104	-0.051	27.627	0.026	0.026	0.000	0.000	0.000	0.000
137	A	179	SER	0	-0.046	-0.043	22.395	-0.038	-0.038	0.000	0.000	0.000	0.000
138	A	180	SER	0	0.032	0.001	20.011	0.017	0.017	0.000	0.000	0.000	0.000
139	A	181	SER	0	0.021	0.016	22.027	-0.037	-0.037	0.000	0.000	0.000	0.000
140	A	182	LEU	0	0.002	0.014	16.185	-0.024	-0.024	0.000	0.000	0.000	0.000
141	A	183	SER	0	-0.024	-0.028	16.891	-0.134	-0.134	0.000	0.000	0.000	0.000
142	A	184	ALA	0	0.032	0.020	17.647	-0.090	-0.090	0.000	0.000	0.000	0.000
143	A	185	ILE	0	0.069	0.028	14.448	-0.056	-0.056	0.000	0.000	0.000	0.000
144	A	186	HIS	0	0.026	0.034	11.558	-0.286	-0.286	0.000	0.000	0.000	0.000
145	A	187	MET	0	-0.061	-0.040	13.474	-0.160	-0.160	0.000	0.000	0.000	0.000
146	A	188	ALA	0	0.026	0.033	15.762	-0.047	-0.047	0.000	0.000	0.000	0.000
147	A	189	CYS	0	-0.007	-0.004	10.203	-0.041	-0.041	0.000	0.000	0.000	0.000
148	A	190	ARG	1	0.751	0.823	10.752	1.489	1.489	0.000	0.000	0.000	0.000
149	A	191	SER	0	-0.037	-0.025	12.191	0.012	0.012	0.000	0.000	0.000	0.000
150	A	192	LEU	0	-0.001	-0.002	12.195	0.037	0.037	0.000	0.000	0.000	0.000
151	A	193	HIS	0	-0.045	-0.008	7.472	-0.559	-0.559	0.000	0.000	0.000	0.000
152	A	194	ASP	-1	-0.805	-0.881	10.676	-1.615	-1.615	0.000	0.000	0.000	0.000
153	A	195	GLY	0	-0.019	-0.001	13.732	0.171	0.171	0.000	0.000	0.000	0.000
154	A	196	GLU	-1	-0.925	-0.913	15.454	-0.823	-0.823	0.000	0.000	0.000	0.000
155	A	197	SER	0	-0.039	-0.028	16.851	0.147	0.147	0.000	0.000	0.000	0.000
156	A	198	ASP	-1	-0.841	-0.906	16.384	-1.063	-1.063	0.000	0.000	0.000	0.000
157	A	199	VAL	0	-0.048	-0.029	17.438	-0.050	-0.050	0.000	0.000	0.000	0.000
158	A	200	ALA	0	0.009	0.002	16.675	0.019	0.019	0.000	0.000	0.000	0.000
159	A	201	LEU	0	0.007	0.028	18.751	-0.022	-0.022	0.000	0.000	0.000	0.000
160	A	202	ALA	0	0.010	-0.012	18.354	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	203	GLY	0	0.009	-0.001	20.320	0.004	0.004	0.000	0.000	0.000	0.000
162	A	204	GLY	0	-0.029	-0.003	22.785	-0.009	-0.009	0.000	0.000	0.000	0.000
163	A	205	VAL	0	-0.019	-0.013	25.696	0.011	0.011	0.000	0.000	0.000	0.000
164	A	206	SER	0	-0.063	-0.027	29.342	0.005	0.005	0.000	0.000	0.000	0.000
165	A	207	VAL	0	0.041	0.004	31.859	0.006	0.006	0.000	0.000	0.000	0.000
166	A	208	LEU	0	-0.025	-0.006	35.115	0.003	0.003	0.000	0.000	0.000	0.000
167	A	209	LEU	0	-0.016	-0.010	37.896	0.007	0.007	0.000	0.000	0.000	0.000
168	A	210	GLU	-1	-0.986	-0.985	40.853	-0.155	-0.155	0.000	0.000	0.000	0.000
169	A	221	GLY	0	0.017	-0.006	33.386	0.002	0.002	0.000	0.000	0.000	0.000
170	A	222	MET	0	-0.065	-0.034	34.420	0.006	0.006	0.000	0.000	0.000	0.000
171	A	223	LEU	0	0.034	0.021	36.029	-0.010	-0.010	0.000	0.000	0.000	0.000
172	A	224	SER	0	0.022	0.024	37.104	0.012	0.012	0.000	0.000	0.000	0.000
173	A	225	PRO	0	-0.039	-0.031	38.911	-0.002	-0.002	0.000	0.000	0.000	0.000
174	A	226	THR	0	-0.085	-0.065	40.602	0.000	0.000	0.000	0.000	0.000	0.000
175	A	227	GLY	0	0.013	0.011	39.843	0.000	0.000	0.000	0.000	0.000	0.000
176	A	228	HIS	1	0.830	0.907	36.776	0.147	0.147	0.000	0.000	0.000	0.000
177	A	229	CYS	0	-0.023	0.026	31.512	0.003	0.003	0.000	0.000	0.000	0.000
178	A	230	HIS	0	-0.009	-0.018	33.138	-0.006	-0.006	0.000	0.000	0.000	0.000
179	A	231	ALA	0	0.046	0.015	29.307	0.008	0.008	0.000	0.000	0.000	0.000
180	A	232	PHE	0	0.005	-0.010	24.564	0.005	0.005	0.000	0.000	0.000	0.000
181	A	233	ASP	-1	-0.704	-0.846	30.504	-0.067	-0.067	0.000	0.000	0.000	0.000
182	A	234	THR	0	-0.098	-0.063	34.025	0.002	0.002	0.000	0.000	0.000	0.000
183	A	235	ALA	0	-0.064	-0.016	36.696	0.003	0.003	0.000	0.000	0.000	0.000
184	A	236	ALA	0	-0.022	-0.006	34.989	0.001	0.001	0.000	0.000	0.000	0.000
185	A	237	ASP	-1	-0.770	-0.859	36.056	-0.105	-0.105	0.000	0.000	0.000	0.000
186	A	238	GLY	0	-0.024	-0.029	35.135	0.003	0.003	0.000	0.000	0.000	0.000
187	A	239	PHE	0	-0.064	-0.035	32.171	-0.009	-0.009	0.000	0.000	0.000	0.000
188	A	240	VAL	0	0.002	0.000	33.869	0.012	0.012	0.000	0.000	0.000	0.000
189	A	241	SER	0	-0.008	0.003	33.614	-0.010	-0.010	0.000	0.000	0.000	0.000
190	A	242	ALA	0	0.021	0.014	32.394	0.013	0.013	0.000	0.000	0.000	0.000
191	A	243	GLU	-1	-0.752	-0.829	32.985	-0.248	-0.248	0.000	0.000	0.000	0.000
192	A	244	GLY	0	0.020	0.001	30.941	0.000	0.000	0.000	0.000	0.000	0.000
193	A	245	CYS	0	-0.099	-0.035	28.880	-0.018	-0.018	0.000	0.000	0.000	0.000
194	A	246	VAL	0	0.010	0.008	23.272	0.007	0.007	0.000	0.000	0.000	0.000
195	A	247	VAL	0	-0.004	-0.004	23.280	-0.023	-0.023	0.000	0.000	0.000	0.000
196	A	248	LEU	0	-0.035	-0.024	17.577	0.011	0.011	0.000	0.000	0.000	0.000
197	A	249	THR	0	0.018	-0.001	19.846	-0.010	-0.010	0.000	0.000	0.000	0.000
198	A	250	LEU	0	-0.083	-0.051	14.332	-0.052	-0.052	0.000	0.000	0.000	0.000
199	A	251	LYS	1	0.888	0.917	14.653	0.921	0.921	0.000	0.000	0.000	0.000
200	A	252	ARG	1	0.804	0.895	11.004	1.266	1.266	0.000	0.000	0.000	0.000
201	A	253	LEU	0	-0.015	-0.020	8.587	0.239	0.239	0.000	0.000	0.000	0.000
202	A	254	ASP	-1	-0.895	-0.961	10.416	-1.792	-1.792	0.000	0.000	0.000	0.000
203	A	255	ASP	-1	-0.775	-0.876	12.443	-1.005	-1.005	0.000	0.000	0.000	0.000
204	A	256	ALA	0	-0.034	-0.012	14.586	0.146	0.146	0.000	0.000	0.000	0.000
205	A	257	VAL	0	-0.047	-0.038	13.802	0.125	0.125	0.000	0.000	0.000	0.000
206	A	258	ALA	0	-0.057	-0.014	16.429	0.113	0.113	0.000	0.000	0.000	0.000
207	A	259	ASP	-1	-0.846	-0.910	18.416	-0.642	-0.642	0.000	0.000	0.000	0.000
208	A	260	GLY	0	-0.053	-0.013	19.748	0.057	0.057	0.000	0.000	0.000	0.000
209	A	261	ASP	-1	-0.857	-0.918	18.858	-0.660	-0.660	0.000	0.000	0.000	0.000
210	A	262	ARG	1	0.781	0.875	19.819	0.533	0.533	0.000	0.000	0.000	0.000
211	A	263	ILE	0	-0.023	-0.020	14.196	-0.043	-0.043	0.000	0.000	0.000	0.000
212	A	264	LEU	0	-0.050	-0.017	17.553	0.077	0.077	0.000	0.000	0.000	0.000
213	A	265	ALA	0	-0.029	-0.026	14.562	0.068	0.068	0.000	0.000	0.000	0.000
214	A	266	VAL	0	-0.002	0.000	8.419	-0.080	-0.080	0.000	0.000	0.000	0.000
215	A	267	ILE	0	0.007	-0.004	9.397	0.115	0.115	0.000	0.000	0.000	0.000
216	A	268	ARG	1	0.833	0.912	2.934	1.564	2.336	0.035	-0.267	-0.540	0.001
217	A	269	GLY	0	0.047	0.012	4.647	-2.451	-2.440	-0.001	-0.006	-0.003	0.000
218	A	270	THR	0	-0.024	-0.024	6.412	0.790	0.790	0.000	0.000	0.000	0.000
219	A	271	ALA	0	-0.051	-0.022	9.089	-0.243	-0.243	0.000	0.000	0.000	0.000
220	A	272	THR	0	0.034	0.016	11.532	0.181	0.181	0.000	0.000	0.000	0.000
221	A	273	ASN	0	-0.047	-0.039	15.252	0.015	0.015	0.000	0.000	0.000	0.000
222	A	274	GLN	0	0.028	0.029	17.861	-0.011	-0.011	0.000	0.000	0.000	0.000
223	A	275	ASP	-1	-0.817	-0.901	21.486	-0.250	-0.250	0.000	0.000	0.000	0.000
224	A	276	GLY	0	-0.043	-0.023	24.146	0.022	0.022	0.000	0.000	0.000	0.000
225	A	285	SER	0	-0.028	-0.031	25.989	-0.006	-0.006	0.000	0.000	0.000	0.000
226	A	286	ALA	0	-0.024	-0.014	24.209	0.020	0.020	0.000	0.000	0.000	0.000
227	A	287	ASP	-1	-0.824	-0.909	24.299	-0.057	-0.057	0.000	0.000	0.000	0.000
228	A	288	ALA	0	-0.007	-0.004	21.919	0.012	0.012	0.000	0.000	0.000	0.000
229	A	289	GLN	0	-0.001	-0.012	19.449	-0.010	-0.010	0.000	0.000	0.000	0.000
230	A	290	ALA	0	0.081	0.047	17.726	-0.061	-0.061	0.000	0.000	0.000	0.000
231	A	291	LYS	1	0.858	0.920	14.640	0.299	0.299	0.000	0.000	0.000	0.000
232	A	292	VAL	0	-0.015	-0.014	13.654	-0.052	-0.052	0.000	0.000	0.000	0.000
233	A	293	TYR	0	0.062	0.020	12.614	-0.181	-0.181	0.000	0.000	0.000	0.000
234	A	294	ARG	1	0.855	0.911	11.019	-0.437	-0.437	0.000	0.000	0.000	0.000
235	A	295	MET	0	-0.066	-0.013	9.133	0.103	0.103	0.000	0.000	0.000	0.000
236	A	296	ALA	0	0.034	0.028	7.910	-0.489	-0.489	0.000	0.000	0.000	0.000
237	A	297	LEU	0	0.048	0.029	6.536	-0.910	-0.910	0.000	0.000	0.000	0.000
238	A	298	LYS	1	0.917	0.973	5.117	-0.681	-0.681	0.000	0.000	0.000	0.000
239	A	299	ALA	0	-0.063	-0.034	3.341	-1.440	-0.572	0.033	-0.394	-0.507	-0.003
240	A	300	ALA	0	0.033	0.011	2.258	-10.666	-8.872	2.033	-1.967	-1.859	-0.028
241	A	301	GLY	0	-0.051	-0.026	2.311	-0.637	0.438	4.479	-2.682	-2.873	0.004
242	A	302	VAL	0	-0.050	-0.038	3.282	-0.374	-0.848	0.100	1.351	-0.978	-0.002
243	A	303	GLU	-1	-0.869	-0.933	6.008	1.732	1.732	0.000	0.000	0.000	0.000
244	A	304	PRO	0	0.016	0.003	9.084	-0.334	-0.334	0.000	0.000	0.000	0.000
245	A	305	GLY	0	0.034	0.024	12.211	-0.124	-0.124	0.000	0.000	0.000	0.000
246	A	306	THR	0	-0.085	-0.048	10.365	-0.115	-0.115	0.000	0.000	0.000	0.000
247	A	307	VAL	0	-0.052	-0.019	11.974	-0.139	-0.139	0.000	0.000	0.000	0.000
248	A	308	GLY	0	0.025	0.015	14.342	0.065	0.065	0.000	0.000	0.000	0.000
249	A	309	LEU	0	-0.036	-0.025	17.217	0.005	0.005	0.000	0.000	0.000	0.000
250	A	310	VAL	0	-0.005	-0.016	16.669	-0.076	-0.076	0.000	0.000	0.000	0.000
251	A	311	GLU	-1	-0.773	-0.852	18.495	-0.330	-0.330	0.000	0.000	0.000	0.000
252	A	312	ALA	0	0.019	0.008	19.648	-0.055	-0.055	0.000	0.000	0.000	0.000
253	A	313	HIS	0	-0.015	0.001	21.265	-0.030	-0.030	0.000	0.000	0.000	0.000
254	A	314	GLY	0	0.020	0.020	23.101	0.004	0.004	0.000	0.000	0.000	0.000
255	A	315	THR	0	-0.044	-0.029	26.125	-0.002	-0.002	0.000	0.000	0.000	0.000
256	A	316	GLY	0	0.056	0.026	28.810	0.005	0.005	0.000	0.000	0.000	0.000
257	A	317	THR	0	-0.067	-0.030	30.229	0.018	0.018	0.000	0.000	0.000	0.000
258	A	318	PRO	0	0.058	0.013	31.920	0.002	0.002	0.000	0.000	0.000	0.000
259	A	319	VAL	0	-0.042	-0.026	31.949	0.009	0.009	0.000	0.000	0.000	0.000
260	A	320	GLY	0	0.001	-0.005	28.756	0.003	0.003	0.000	0.000	0.000	0.000
261	A	321	ASP	-1	-0.758	-0.867	27.287	-0.198	-0.198	0.000	0.000	0.000	0.000
262	A	322	PRO	0	0.050	0.020	27.366	0.001	0.001	0.000	0.000	0.000	0.000
263	A	323	LEU	0	0.012	0.030	26.226	0.015	0.015	0.000	0.000	0.000	0.000
264	A	324	GLU	-1	-0.735	-0.857	21.882	-0.313	-0.313	0.000	0.000	0.000	0.000
265	A	325	PHE	0	-0.016	-0.028	22.981	-0.003	-0.003	0.000	0.000	0.000	0.000
266	A	326	SER	0	-0.007	-0.019	24.312	0.030	0.030	0.000	0.000	0.000	0.000
267	A	327	SER	0	-0.040	-0.022	20.782	0.038	0.038	0.000	0.000	0.000	0.000
268	A	328	LEU	0	-0.053	-0.029	18.229	0.013	0.013	0.000	0.000	0.000	0.000
269	A	329	ALA	0	0.019	0.024	19.636	0.030	0.030	0.000	0.000	0.000	0.000
270	A	330	GLU	-1	-0.889	-0.912	18.783	0.207	0.207	0.000	0.000	0.000	0.000
271	A	331	VAL	0	-0.100	-0.049	14.198	0.082	0.082	0.000	0.000	0.000	0.000
272	A	332	TYR	0	0.038	0.002	12.245	0.013	0.013	0.000	0.000	0.000	0.000
273	A	333	GLY	0	0.030	0.016	17.946	0.001	0.001	0.000	0.000	0.000	0.000
274	A	334	THR	0	0.003	0.013	17.918	0.003	0.003	0.000	0.000	0.000	0.000
275	A	335	ASP	-1	-0.915	-0.954	17.668	0.463	0.463	0.000	0.000	0.000	0.000
276	A	336	GLY	0	-0.023	-0.008	18.915	-0.028	-0.028	0.000	0.000	0.000	0.000
277	A	337	PRO	0	-0.034	-0.016	21.308	-0.006	-0.006	0.000	0.000	0.000	0.000
278	A	338	CYS	0	-0.009	-0.003	19.062	-0.034	-0.034	0.000	0.000	0.000	0.000
279	A	339	ALA	0	0.013	0.018	20.902	-0.003	-0.003	0.000	0.000	0.000	0.000
280	A	340	LEU	0	0.007	0.002	21.395	-0.037	-0.037	0.000	0.000	0.000	0.000
281	A	341	GLY	0	0.016	-0.004	22.806	0.022	0.022	0.000	0.000	0.000	0.000
282	A	342	SER	0	-0.034	-0.034	23.680	-0.029	-0.029	0.000	0.000	0.000	0.000
283	A	343	ILE	0	-0.002	-0.001	25.096	0.027	0.027	0.000	0.000	0.000	0.000
284	A	344	LYS	1	0.853	0.931	23.982	0.392	0.392	0.000	0.000	0.000	0.000
285	A	345	THR	0	-0.063	-0.018	29.140	0.019	0.019	0.000	0.000	0.000	0.000
286	A	346	ASN	0	-0.044	-0.022	30.282	0.004	0.004	0.000	0.000	0.000	0.000
287	A	347	PHE	0	0.017	-0.014	29.989	0.007	0.007	0.000	0.000	0.000	0.000
288	A	348	GLY	0	0.042	0.033	31.872	0.001	0.001	0.000	0.000	0.000	0.000
289	A	349	HIS	0	0.002	-0.019	26.932	-0.032	-0.032	0.000	0.000	0.000	0.000
290	A	350	THR	0	0.020	0.012	27.781	0.001	0.001	0.000	0.000	0.000	0.000
291	A	351	GLN	0	0.064	0.014	28.353	-0.006	-0.006	0.000	0.000	0.000	0.000
292	A	352	SER	0	0.002	0.001	25.736	-0.029	-0.029	0.000	0.000	0.000	0.000
293	A	353	ALA	0	0.023	0.021	24.625	-0.049	-0.049	0.000	0.000	0.000	0.000
294	A	354	ALA	0	-0.015	0.010	24.710	-0.024	-0.024	0.000	0.000	0.000	0.000
295	A	355	GLY	0	0.031	0.009	20.762	-0.009	-0.009	0.000	0.000	0.000	0.000
296	A	356	ALA	0	0.045	0.008	20.162	-0.042	-0.042	0.000	0.000	0.000	0.000
297	A	357	LEU	0	0.001	0.006	21.212	-0.015	-0.015	0.000	0.000	0.000	0.000
298	A	358	GLY	0	0.020	0.009	21.247	0.018	0.018	0.000	0.000	0.000	0.000
299	A	359	VAL	0	-0.004	-0.014	16.328	-0.008	-0.008	0.000	0.000	0.000	0.000
300	A	360	MET	0	0.020	0.012	18.777	0.006	0.006	0.000	0.000	0.000	0.000
301	A	361	LYS	1	0.867	0.932	21.380	0.356	0.356	0.000	0.000	0.000	0.000
302	A	362	ALA	0	0.001	0.000	17.477	0.031	0.031	0.000	0.000	0.000	0.000
303	A	363	VAL	0	0.011	-0.002	16.683	0.009	0.009	0.000	0.000	0.000	0.000
304	A	364	LEU	0	-0.017	-0.002	18.763	0.038	0.038	0.000	0.000	0.000	0.000
305	A	365	ALA	0	-0.016	-0.013	21.005	0.043	0.043	0.000	0.000	0.000	0.000
306	A	366	LEU	0	-0.043	0.005	15.047	0.032	0.032	0.000	0.000	0.000	0.000
307	A	367	GLN	0	0.005	0.014	19.132	0.055	0.055	0.000	0.000	0.000	0.000
308	A	368	HIS	1	0.802	0.901	21.158	0.393	0.393	0.000	0.000	0.000	0.000
309	A	369	ASN	0	0.034	0.008	22.677	-0.021	-0.021	0.000	0.000	0.000	0.000
310	A	370	VAL	0	-0.058	-0.026	24.248	0.016	0.016	0.000	0.000	0.000	0.000
311	A	371	ILE	0	0.032	0.016	22.182	-0.036	-0.036	0.000	0.000	0.000	0.000
312	A	372	PRO	0	-0.045	-0.014	25.000	0.023	0.023	0.000	0.000	0.000	0.000
313	A	373	GLN	0	0.004	0.013	27.594	-0.011	-0.011	0.000	0.000	0.000	0.000
314	A	374	ASN	0	0.030	0.021	27.161	-0.038	-0.038	0.000	0.000	0.000	0.000
315	A	375	LEU	0	-0.036	-0.016	30.333	0.017	0.017	0.000	0.000	0.000	0.000
316	A	376	HIS	0	-0.079	-0.052	33.372	0.008	0.008	0.000	0.000	0.000	0.000
317	A	377	PHE	0	0.018	-0.001	31.906	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	378	THR	0	-0.122	-0.059	34.921	0.007	0.007	0.000	0.000	0.000	0.000
319	A	379	ARG	1	0.840	0.896	35.808	0.043	0.043	0.000	0.000	0.000	0.000
320	A	380	LEU	0	0.062	0.047	29.611	-0.009	-0.009	0.000	0.000	0.000	0.000
321	A	381	PRO	0	0.038	0.019	32.169	0.006	0.006	0.000	0.000	0.000	0.000
322	A	382	ASP	-1	-0.836	-0.924	34.305	-0.012	-0.012	0.000	0.000	0.000	0.000
323	A	383	GLN	0	-0.091	-0.042	34.483	0.002	0.002	0.000	0.000	0.000	0.000
324	A	384	MET	0	-0.020	-0.004	29.733	0.004	0.004	0.000	0.000	0.000	0.000
325	A	385	ALA	0	-0.020	0.006	30.635	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	386	GLU	-1	-0.965	-0.983	32.384	0.051	0.051	0.000	0.000	0.000	0.000
327	A	387	ILE	0	-0.012	0.005	26.730	0.017	0.017	0.000	0.000	0.000	0.000
328	A	388	GLU	-1	-0.952	-0.972	27.284	0.128	0.128	0.000	0.000	0.000	0.000
329	A	389	THR	0	-0.049	-0.010	23.127	0.014	0.014	0.000	0.000	0.000	0.000
330	A	390	GLY	0	-0.006	-0.011	23.226	-0.012	-0.012	0.000	0.000	0.000	0.000
331	A	391	LEU	0	-0.056	-0.045	20.764	-0.025	-0.025	0.000	0.000	0.000	0.000
332	A	392	PHE	0	-0.024	0.000	24.007	0.007	0.007	0.000	0.000	0.000	0.000
333	A	393	VAL	0	0.016	0.008	26.146	-0.025	-0.025	0.000	0.000	0.000	0.000
334	A	394	PRO	0	-0.035	0.000	26.399	0.017	0.017	0.000	0.000	0.000	0.000
335	A	395	GLU	-1	-0.853	-0.933	29.231	-0.079	-0.079	0.000	0.000	0.000	0.000
336	A	396	THR	0	-0.062	-0.048	32.090	-0.002	-0.002	0.000	0.000	0.000	0.000
337	A	397	ILE	0	0.032	0.015	30.059	-0.009	-0.009	0.000	0.000	0.000	0.000
338	A	398	THR	0	0.002	0.012	26.624	0.017	0.017	0.000	0.000	0.000	0.000
339	A	399	PRO	0	-0.054	-0.049	26.662	-0.021	-0.021	0.000	0.000	0.000	0.000
340	A	400	TRP	0	0.058	0.027	17.270	0.002	0.002	0.000	0.000	0.000	0.000
341	A	401	PRO	0	-0.020	-0.002	19.918	0.022	0.022	0.000	0.000	0.000	0.000
342	A	402	VAL	0	0.020	0.016	16.379	0.019	0.019	0.000	0.000	0.000	0.000
343	A	403	ARG	1	0.932	0.956	19.701	-0.030	-0.030	0.000	0.000	0.000	0.000
344	A	404	GLU	-1	-0.938	-0.972	17.067	0.275	0.275	0.000	0.000	0.000	0.000
345	A	405	GLY	0	-0.031	-0.009	16.773	0.046	0.046	0.000	0.000	0.000	0.000
346	A	406	GLN	0	-0.012	-0.008	10.961	0.005	0.005	0.000	0.000	0.000	0.000
347	A	407	PRO	0	-0.011	0.011	11.142	-0.004	-0.004	0.000	0.000	0.000	0.000
348	A	408	ARG	1	0.882	0.944	13.224	0.354	0.354	0.000	0.000	0.000	0.000
349	A	409	ARG	1	0.846	0.897	8.776	0.332	0.332	0.000	0.000	0.000	0.000
350	A	410	ALA	0	0.013	0.002	13.350	0.140	0.140	0.000	0.000	0.000	0.000
351	A	411	ALA	0	-0.012	0.006	12.948	-0.187	-0.187	0.000	0.000	0.000	0.000
352	A	412	VAL	0	-0.006	0.003	14.416	0.096	0.096	0.000	0.000	0.000	0.000
353	A	413	SER	0	0.003	0.007	15.397	-0.102	-0.102	0.000	0.000	0.000	0.000
354	A	414	ALA	0	0.023	0.009	17.895	0.036	0.036	0.000	0.000	0.000	0.000
355	A	415	TYR	0	-0.043	-0.034	18.999	-0.056	-0.056	0.000	0.000	0.000	0.000
356	A	416	GLY	0	0.046	0.025	22.579	0.018	0.018	0.000	0.000	0.000	0.000
357	A	417	LEU	0	-0.010	-0.017	24.980	0.022	0.022	0.000	0.000	0.000	0.000
358	A	418	SER	0	-0.035	-0.006	25.670	0.022	0.022	0.000	0.000	0.000	0.000
359	A	419	GLY	0	0.018	0.015	25.116	0.013	0.013	0.000	0.000	0.000	0.000
360	A	420	THR	0	-0.052	-0.027	20.233	-0.011	-0.011	0.000	0.000	0.000	0.000
361	A	421	ASN	0	-0.027	-0.007	18.920	-0.006	-0.006	0.000	0.000	0.000	0.000
362	A	422	VAL	0	-0.033	-0.029	14.807	-0.057	-0.057	0.000	0.000	0.000	0.000
363	A	423	HIS	0	0.021	0.006	11.887	0.089	0.089	0.000	0.000	0.000	0.000
364	A	424	ALA	0	-0.014	-0.013	11.025	-0.270	-0.270	0.000	0.000	0.000	0.000
365	A	425	VAL	0	0.005	0.001	8.182	0.275	0.275	0.000	0.000	0.000	0.000
366	A	426	LEU	0	-0.015	-0.020	9.327	-0.412	-0.412	0.000	0.000	0.000	0.000
367	A	427	GLU	-1	-0.765	-0.864	8.331	-1.116	-1.116	0.000	0.000	0.000	0.000
368	A	428	GLN	0	0.015	0.022	11.776	-0.014	-0.014	0.000	0.000	0.000	0.000
369	A	429	ALA	0	0.016	0.011	13.327	-0.108	-0.108	0.000	0.000	0.000	0.000
370	A	430	PRO	0	-0.014	-0.015	12.575	0.101	0.101	0.000	0.000	0.000	0.000
371	A	431	GLU	-1	-0.930	-0.957	15.235	-0.254	-0.254	0.000	0.000	0.000	0.000
372	A	432	SER	0	-0.004	-0.016	18.677	-0.013	-0.013	0.000	0.000	0.000	0.000
373	A	433	PRO	0	-0.027	0.006	21.086	0.014	0.014	0.000	0.000	0.000	0.000
374	A	444	LYS	1	0.963	0.974	45.059	0.083	0.083	0.000	0.000	0.000	0.000
375	A	445	ALA	0	0.000	-0.008	44.555	-0.005	-0.005	0.000	0.000	0.000	0.000
376	A	446	GLY	0	0.016	0.003	45.730	0.006	0.006	0.000	0.000	0.000	0.000
377	A	447	ASN	0	-0.023	-0.011	45.754	0.004	0.004	0.000	0.000	0.000	0.000
378	A	448	ALA	0	0.015	0.009	45.687	-0.005	-0.005	0.000	0.000	0.000	0.000
379	A	449	LEU	0	-0.028	-0.013	40.222	-0.003	-0.003	0.000	0.000	0.000	0.000
380	A	450	VAL	0	0.060	0.024	42.447	0.005	0.005	0.000	0.000	0.000	0.000
381	A	451	PHE	0	-0.006	-0.009	39.634	-0.012	-0.012	0.000	0.000	0.000	0.000
382	A	452	PRO	0	0.026	0.011	38.940	0.006	0.006	0.000	0.000	0.000	0.000
383	A	453	VAL	0	-0.009	-0.005	39.461	-0.011	-0.011	0.000	0.000	0.000	0.000
384	A	454	SER	0	0.016	0.005	39.272	0.005	0.005	0.000	0.000	0.000	0.000
385	A	455	ALA	0	0.009	0.003	40.047	-0.010	-0.010	0.000	0.000	0.000	0.000
386	A	456	SER	0	-0.032	-0.029	40.661	0.008	0.008	0.000	0.000	0.000	0.000
387	A	457	SER	0	0.038	0.002	42.349	0.009	0.009	0.000	0.000	0.000	0.000
388	A	458	ALA	0	0.051	0.011	45.642	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	459	ASP	-1	-0.828	-0.909	47.944	-0.152	-0.152	0.000	0.000	0.000	0.000
390	A	460	ALA	0	0.018	0.021	42.417	0.001	0.001	0.000	0.000	0.000	0.000
391	A	461	LEU	0	-0.018	0.003	43.246	-0.006	-0.006	0.000	0.000	0.000	0.000
392	A	462	ARG	1	0.837	0.921	44.606	0.147	0.147	0.000	0.000	0.000	0.000
393	A	463	SER	0	-0.004	0.002	43.495	0.004	0.004	0.000	0.000	0.000	0.000
394	A	464	THR	0	-0.016	-0.020	39.259	-0.007	-0.007	0.000	0.000	0.000	0.000
395	A	465	ALA	0	-0.004	-0.002	41.407	-0.004	-0.004	0.000	0.000	0.000	0.000
396	A	466	GLN	0	-0.003	-0.008	43.885	0.006	0.006	0.000	0.000	0.000	0.000
397	A	467	HIS	0	-0.021	-0.014	39.399	-0.003	-0.003	0.000	0.000	0.000	0.000
398	A	468	LEU	0	-0.003	-0.001	37.629	-0.005	-0.005	0.000	0.000	0.000	0.000
399	A	469	ALA	0	0.042	0.020	40.179	0.001	0.001	0.000	0.000	0.000	0.000
400	A	470	ASP	-1	-0.850	-0.929	41.677	-0.161	-0.161	0.000	0.000	0.000	0.000
401	A	471	TRP	0	-0.084	-0.044	33.019	0.006	0.006	0.000	0.000	0.000	0.000
402	A	472	LEU	0	0.004	-0.010	38.689	0.000	0.000	0.000	0.000	0.000	0.000
403	A	473	LEU	0	-0.045	-0.021	40.441	0.006	0.006	0.000	0.000	0.000	0.000
404	A	474	ARG	1	0.928	0.992	36.704	0.206	0.206	0.000	0.000	0.000	0.000
405	A	475	SER	0	-0.034	-0.021	36.765	0.000	0.000	0.000	0.000	0.000	0.000
406	A	476	GLY	0	-0.009	-0.003	38.973	0.006	0.006	0.000	0.000	0.000	0.000
407	A	477	ASP	-1	-0.863	-0.916	40.704	-0.115	-0.115	0.000	0.000	0.000	0.000
408	A	478	GLY	0	-0.003	-0.007	40.627	-0.005	-0.005	0.000	0.000	0.000	0.000
409	A	479	ASN	0	-0.083	-0.059	40.413	0.004	0.004	0.000	0.000	0.000	0.000
410	A	480	GLY	0	0.072	0.053	38.622	-0.004	-0.004	0.000	0.000	0.000	0.000
411	A	481	ARG	1	0.909	0.933	29.967	0.230	0.230	0.000	0.000	0.000	0.000
412	A	482	GLY	0	0.014	0.016	36.066	0.001	0.001	0.000	0.000	0.000	0.000
413	A	483	PRO	0	-0.050	-0.017	33.903	0.007	0.007	0.000	0.000	0.000	0.000
414	A	484	ALA	0	0.031	0.006	36.994	-0.007	-0.007	0.000	0.000	0.000	0.000
415	A	485	ILE	0	-0.010	0.000	35.428	-0.005	-0.005	0.000	0.000	0.000	0.000
416	A	486	ASP	-1	-0.853	-0.919	34.620	-0.185	-0.185	0.000	0.000	0.000	0.000
417	A	487	LEU	0	0.021	-0.005	36.199	-0.011	-0.011	0.000	0.000	0.000	0.000
418	A	488	GLY	0	0.059	0.033	37.484	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	489	ASP	-1	-0.763	-0.860	32.133	-0.259	-0.259	0.000	0.000	0.000	0.000
420	A	490	LEU	0	-0.046	-0.015	33.414	-0.017	-0.017	0.000	0.000	0.000	0.000
421	A	491	ALA	0	0.027	0.020	35.472	-0.010	-0.010	0.000	0.000	0.000	0.000
422	A	492	TYR	0	0.031	0.019	28.630	-0.016	-0.016	0.000	0.000	0.000	0.000
423	A	493	THR	0	-0.039	-0.034	30.793	-0.024	-0.024	0.000	0.000	0.000	0.000
424	A	494	LEU	0	-0.049	-0.028	32.478	-0.014	-0.014	0.000	0.000	0.000	0.000
425	A	495	ALA	0	0.014	0.016	35.340	0.000	0.000	0.000	0.000	0.000	0.000
426	A	496	ARG	1	0.828	0.915	30.980	0.290	0.290	0.000	0.000	0.000	0.000
427	A	497	ARG	1	0.746	0.887	23.628	0.455	0.455	0.000	0.000	0.000	0.000
428	A	498	ARG	1	0.855	0.927	29.308	0.335	0.335	0.000	0.000	0.000	0.000
429	A	499	GLY	0	0.026	0.016	32.272	0.003	0.003	0.000	0.000	0.000	0.000
430	A	500	PHE	0	-0.071	-0.011	34.061	0.010	0.010	0.000	0.000	0.000	0.000
431	A	501	ARG	1	0.869	0.929	34.148	0.292	0.292	0.000	0.000	0.000	0.000
432	A	502	ALA	0	0.042	0.024	39.996	0.007	0.007	0.000	0.000	0.000	0.000
433	A	503	ALA	0	0.009	0.020	43.619	0.009	0.009	0.000	0.000	0.000	0.000
434	A	504	ARG	1	0.744	0.829	40.899	0.209	0.209	0.000	0.000	0.000	0.000
435	A	505	SER	0	-0.011	-0.004	44.503	0.011	0.011	0.000	0.000	0.000	0.000
436	A	506	ALA	0	0.054	0.008	44.200	-0.010	-0.010	0.000	0.000	0.000	0.000
437	A	507	VAL	0	-0.010	0.025	44.760	0.008	0.008	0.000	0.000	0.000	0.000
438	A	508	LEU	0	0.013	0.003	45.230	-0.005	-0.005	0.000	0.000	0.000	0.000
439	A	509	ALA	0	0.006	0.004	45.427	0.006	0.006	0.000	0.000	0.000	0.000
440	A	510	GLY	0	0.052	0.041	45.396	-0.005	-0.005	0.000	0.000	0.000	0.000
441	A	511	ASP	-1	-0.911	-0.927	45.330	-0.119	-0.119	0.000	0.000	0.000	0.000
442	A	512	ARG	1	0.923	0.952	42.414	0.138	0.138	0.000	0.000	0.000	0.000
443	A	513	GLY	0	-0.012	0.002	45.026	-0.003	-0.003	0.000	0.000	0.000	0.000
444	A	514	THR	0	-0.010	-0.053	48.603	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	515	LEU	0	-0.001	0.015	41.525	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	516	VAL	0	-0.009	-0.016	44.940	-0.004	-0.004	0.000	0.000	0.000	0.000
447	A	517	GLU	-1	-0.792	-0.852	46.867	-0.116	-0.116	0.000	0.000	0.000	0.000
448	A	518	GLY	0	0.022	0.008	48.654	0.001	0.001	0.000	0.000	0.000	0.000
449	A	519	LEU	0	-0.031	-0.021	42.797	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	520	ARG	1	0.684	0.778	47.053	0.114	0.114	0.000	0.000	0.000	0.000
451	A	521	GLN	0	-0.044	-0.022	49.859	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	522	ILE	0	-0.009	0.009	46.373	0.002	0.002	0.000	0.000	0.000	0.000
453	A	523	ALA	0	-0.008	-0.009	47.558	0.000	0.000	0.000	0.000	0.000	0.000
454	A	524	ASP	-1	-0.883	-0.940	49.250	-0.124	-0.124	0.000	0.000	0.000	0.000
455	A	525	GLY	0	-0.078	-0.040	52.260	0.004	0.004	0.000	0.000	0.000	0.000
456	A	526	GLU	-1	-0.879	-0.905	53.946	-0.106	-0.106	0.000	0.000	0.000	0.000
457	A	527	ALA	0	-0.032	-0.018	51.551	0.003	0.003	0.000	0.000	0.000	0.000
458	A	528	MET	0	-0.046	-0.029	52.427	-0.004	-0.004	0.000	0.000	0.000	0.000
459	A	529	PRO	0	-0.034	-0.013	48.651	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	530	GLN	0	-0.011	-0.007	48.631	0.010	0.010	0.000	0.000	0.000	0.000
461	A	531	GLN	0	-0.013	-0.014	47.865	-0.013	-0.013	0.000	0.000	0.000	0.000
462	A	532	ALA	0	0.013	0.018	44.963	0.006	0.006	0.000	0.000	0.000	0.000
463	A	533	VAL	0	-0.037	-0.026	46.908	0.001	0.001	0.000	0.000	0.000	0.000
464	A	534	THR	0	-0.078	-0.045	45.030	0.004	0.004	0.000	0.000	0.000	0.000
465	A	535	ASN	0	-0.035	-0.016	38.289	0.000	0.000	0.000	0.000	0.000	0.000
466	A	536	ASP	-1	-0.784	-0.856	39.204	-0.240	-0.240	0.000	0.000	0.000	0.000
467	A	537	ASP	-1	-0.868	-0.935	39.884	-0.216	-0.216	0.000	0.000	0.000	0.000
468	A	538	ARG	1	0.826	0.905	41.152	0.170	0.170	0.000	0.000	0.000	0.000
469	A	539	GLY	0	0.043	0.033	44.114	0.000	0.000	0.000	0.000	0.000	0.000
470	A	540	PRO	0	-0.037	-0.016	46.098	0.002	0.002	0.000	0.000	0.000	0.000
471	A	541	VAL	0	0.002	-0.002	49.459	0.001	0.001	0.000	0.000	0.000	0.000
472	A	542	TRP	0	0.012	0.008	49.706	0.002	0.002	0.000	0.000	0.000	0.000
473	A	543	VAL	0	-0.013	-0.016	54.715	0.003	0.003	0.000	0.000	0.000	0.000
474	A	544	PHE	0	0.045	0.008	55.665	0.001	0.001	0.000	0.000	0.000	0.000
475	A	545	SER	0	-0.016	-0.045	60.830	0.003	0.003	0.000	0.000	0.000	0.000
476	A	546	GLY	0	0.066	0.022	64.255	0.001	0.001	0.000	0.000	0.000	0.000
477	A	547	GLN	0	0.007	-0.002	67.546	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	548	GLY	0	-0.001	-0.003	70.366	0.000	0.000	0.000	0.000	0.000	0.000
479	A	549	SER	0	-0.012	0.010	65.998	0.001	0.001	0.000	0.000	0.000	0.000
480	A	550	GLN	0	0.026	0.005	67.529	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	551	TRP	0	-0.032	-0.053	63.060	0.003	0.003	0.000	0.000	0.000	0.000
482	A	552	ALA	0	-0.012	-0.009	68.577	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	553	SER	0	-0.013	-0.024	67.101	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	554	MET	0	-0.026	0.022	64.525	-0.002	-0.002	0.000	0.000	0.000	0.000
485	A	555	GLY	0	0.039	0.014	61.847	-0.003	-0.003	0.000	0.000	0.000	0.000
486	A	556	ALA	0	-0.010	-0.007	61.355	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	557	GLU	-1	-0.750	-0.862	58.198	-0.087	-0.087	0.000	0.000	0.000	0.000
488	A	558	LEU	0	0.042	-0.002	55.458	-0.003	-0.003	0.000	0.000	0.000	0.000
489	A	559	LEU	0	-0.037	-0.008	56.329	-0.003	-0.003	0.000	0.000	0.000	0.000
490	A	560	ASP	-1	-0.940	-0.952	57.400	-0.075	-0.075	0.000	0.000	0.000	0.000
491	A	561	ARG	1	0.719	0.862	53.878	0.087	0.087	0.000	0.000	0.000	0.000
492	A	562	GLU	-1	-0.790	-0.876	50.579	-0.126	-0.126	0.000	0.000	0.000	0.000
493	A	563	PRO	0	-0.005	-0.005	49.789	0.003	0.003	0.000	0.000	0.000	0.000
494	A	564	ALA	0	0.027	0.020	49.430	0.004	0.004	0.000	0.000	0.000	0.000
495	A	565	PHE	0	0.019	0.009	51.546	0.002	0.002	0.000	0.000	0.000	0.000
496	A	566	ALA	0	0.017	-0.007	54.828	0.003	0.003	0.000	0.000	0.000	0.000
497	A	567	ALA	0	-0.058	-0.024	53.115	0.004	0.004	0.000	0.000	0.000	0.000
498	A	568	ALA	0	0.053	0.034	54.703	0.003	0.003	0.000	0.000	0.000	0.000
499	A	569	ILE	0	-0.005	-0.005	56.266	0.003	0.003	0.000	0.000	0.000	0.000
500	A	570	ALA	0	-0.043	-0.020	57.990	0.004	0.004	0.000	0.000	0.000	0.000
501	A	571	GLU	-1	-0.965	-0.980	55.754	-0.083	-0.083	0.000	0.000	0.000	0.000
502	A	572	LEU	0	0.018	0.001	59.267	0.003	0.003	0.000	0.000	0.000	0.000
503	A	573	GLU	-1	-0.798	-0.831	61.925	-0.058	-0.058	0.000	0.000	0.000	0.000
504	A	574	PRO	0	-0.042	-0.027	62.757	0.003	0.003	0.000	0.000	0.000	0.000
505	A	575	LEU	0	0.014	0.011	61.225	0.002	0.002	0.000	0.000	0.000	0.000
506	A	576	ILE	0	0.050	0.009	64.718	0.001	0.001	0.000	0.000	0.000	0.000
507	A	577	ALA	0	-0.032	0.003	67.739	0.002	0.002	0.000	0.000	0.000	0.000
508	A	578	ALA	0	-0.036	-0.016	69.107	0.002	0.002	0.000	0.000	0.000	0.000
509	A	579	GLU	-1	-0.786	-0.860	68.943	-0.055	-0.055	0.000	0.000	0.000	0.000
510	A	580	SER	0	-0.043	-0.027	71.704	0.001	0.001	0.000	0.000	0.000	0.000
511	A	581	ASP	-1	-0.985	-0.968	73.029	-0.045	-0.045	0.000	0.000	0.000	0.000
512	A	582	PHE	0	-0.049	-0.034	69.923	0.001	0.001	0.000	0.000	0.000	0.000
513	A	583	SER	0	-0.024	-0.030	68.167	-0.002	-0.002	0.000	0.000	0.000	0.000
514	A	584	VAL	0	0.058	0.015	64.592	0.000	0.000	0.000	0.000	0.000	0.000
515	A	585	THR	0	-0.004	-0.037	63.643	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	586	GLU	-1	-0.875	-0.906	65.744	-0.054	-0.054	0.000	0.000	0.000	0.000
517	A	587	ALA	0	-0.008	-0.012	68.967	0.000	0.000	0.000	0.000	0.000	0.000
518	A	588	LEU	0	-0.040	-0.015	62.862	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	589	THR	0	-0.049	-0.042	64.804	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	590	ALA	0	0.009	0.031	67.318	0.002	0.002	0.000	0.000	0.000	0.000
521	A	591	SER	0	-0.009	0.008	70.547	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	592	GLU	-1	-0.979	-0.991	72.609	-0.051	-0.051	0.000	0.000	0.000	0.000
523	A	593	THR	0	-0.039	-0.024	71.378	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	594	VAL	0	0.034	0.033	69.985	0.002	0.002	0.000	0.000	0.000	0.000
525	A	595	THR	0	-0.009	-0.032	72.978	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	596	GLY	0	0.016	0.028	76.087	0.000	0.000	0.000	0.000	0.000	0.000
527	A	597	ILE	0	0.050	0.017	75.407	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	598	ASP	-1	-0.880	-0.945	75.222	-0.054	-0.054	0.000	0.000	0.000	0.000
529	A	599	ARG	1	0.854	0.905	72.489	0.053	0.053	0.000	0.000	0.000	0.000
530	A	600	VAL	0	-0.037	0.000	70.866	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	601	GLN	0	0.091	0.022	69.312	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	602	PRO	0	0.049	0.023	67.521	-0.003	-0.003	0.000	0.000	0.000	0.000
533	A	603	THR	0	0.014	-0.015	66.111	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	604	ILE	0	-0.065	-0.031	64.944	-0.002	-0.002	0.000	0.000	0.000	0.000
535	A	605	PHE	0	0.023	0.009	61.805	-0.003	-0.003	0.000	0.000	0.000	0.000
536	A	606	ALA	0	0.032	0.014	61.682	-0.003	-0.003	0.000	0.000	0.000	0.000
537	A	607	VAL	0	-0.003	-0.007	60.211	-0.003	-0.003	0.000	0.000	0.000	0.000
538	A	608	GLN	0	-0.064	-0.037	58.817	-0.003	-0.003	0.000	0.000	0.000	0.000
539	A	609	VAL	0	0.056	0.027	56.673	-0.005	-0.005	0.000	0.000	0.000	0.000
540	A	610	ALA	0	-0.016	0.000	55.541	-0.004	-0.004	0.000	0.000	0.000	0.000
541	A	611	LEU	0	-0.039	-0.029	54.519	-0.004	-0.004	0.000	0.000	0.000	0.000
542	A	612	ALA	0	0.013	0.010	52.693	-0.005	-0.005	0.000	0.000	0.000	0.000
543	A	613	ALA	0	-0.006	0.000	50.914	-0.006	-0.006	0.000	0.000	0.000	0.000
544	A	614	ALA	0	0.000	-0.010	49.742	-0.005	-0.005	0.000	0.000	0.000	0.000
545	A	615	MET	0	-0.018	0.020	48.764	-0.007	-0.007	0.000	0.000	0.000	0.000
546	A	616	ARG	1	1.004	1.015	45.850	0.131	0.131	0.000	0.000	0.000	0.000
547	A	617	SER	0	-0.113	-0.066	44.930	-0.006	-0.006	0.000	0.000	0.000	0.000
548	A	618	HIS	0	-0.022	-0.041	44.171	-0.009	-0.009	0.000	0.000	0.000	0.000
549	A	619	GLY	0	-0.007	0.003	41.717	-0.008	-0.008	0.000	0.000	0.000	0.000
550	A	620	VAL	0	-0.021	-0.014	42.554	-0.008	-0.008	0.000	0.000	0.000	0.000
551	A	621	VAL	0	-0.008	-0.010	43.585	0.009	0.009	0.000	0.000	0.000	0.000
552	A	622	PRO	0	-0.004	0.001	46.392	-0.005	-0.005	0.000	0.000	0.000	0.000
553	A	623	GLY	0	0.002	-0.003	47.670	-0.004	-0.004	0.000	0.000	0.000	0.000
554	A	624	ALA	0	-0.022	-0.015	48.457	0.001	0.001	0.000	0.000	0.000	0.000
555	A	625	VAL	0	-0.024	-0.007	52.147	0.000	0.000	0.000	0.000	0.000	0.000
556	A	626	ILE	0	0.008	0.002	55.426	0.001	0.001	0.000	0.000	0.000	0.000
557	A	627	GLY	0	0.029	0.027	58.996	0.000	0.000	0.000	0.000	0.000	0.000
558	A	628	HIS	0	-0.029	-0.017	62.022	0.001	0.001	0.000	0.000	0.000	0.000
559	A	629	SER	0	0.008	-0.017	65.487	0.002	0.002	0.000	0.000	0.000	0.000
560	A	630	MET	0	0.008	0.014	65.885	0.000	0.000	0.000	0.000	0.000	0.000
561	A	631	GLY	0	0.018	0.019	63.945	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	632	GLU	-1	-0.749	-0.829	62.213	-0.090	-0.090	0.000	0.000	0.000	0.000
563	A	633	VAL	0	-0.006	0.027	62.077	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	634	ALA	0	0.027	0.008	59.756	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	635	ALA	0	-0.004	0.005	57.886	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	636	SER	0	0.042	0.018	57.247	-0.004	-0.004	0.000	0.000	0.000	0.000
567	A	637	VAL	0	-0.034	0.001	56.646	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	638	VAL	0	-0.077	-0.040	52.819	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	639	SER	0	-0.065	-0.055	52.665	-0.005	-0.005	0.000	0.000	0.000	0.000
570	A	640	GLY	0	0.050	0.021	52.982	-0.004	-0.004	0.000	0.000	0.000	0.000
571	A	641	ALA	0	-0.003	0.026	54.306	0.002	0.002	0.000	0.000	0.000	0.000
572	A	642	LEU	0	-0.009	-0.005	57.473	0.004	0.004	0.000	0.000	0.000	0.000
573	A	643	SER	0	0.016	-0.017	57.520	-0.003	-0.003	0.000	0.000	0.000	0.000
574	A	644	LEU	0	0.044	0.011	57.236	0.001	0.001	0.000	0.000	0.000	0.000
575	A	645	GLU	-1	-0.882	-0.933	59.312	-0.075	-0.075	0.000	0.000	0.000	0.000
576	A	646	ASP	-1	-0.744	-0.868	61.996	-0.068	-0.068	0.000	0.000	0.000	0.000
577	A	647	GLY	0	0.025	0.010	62.133	0.001	0.001	0.000	0.000	0.000	0.000
578	A	648	VAL	0	-0.026	-0.021	63.088	0.001	0.001	0.000	0.000	0.000	0.000
579	A	649	LYS	1	0.807	0.894	65.398	0.066	0.066	0.000	0.000	0.000	0.000
580	A	650	VAL	0	0.011	0.010	66.020	0.002	0.002	0.000	0.000	0.000	0.000
581	A	651	ILE	0	-0.048	-0.028	66.194	0.002	0.002	0.000	0.000	0.000	0.000
582	A	652	CYS	0	-0.018	-0.005	68.579	0.001	0.001	0.000	0.000	0.000	0.000
583	A	653	ARG	1	0.758	0.851	70.446	0.060	0.060	0.000	0.000	0.000	0.000
584	A	654	ARG	1	0.904	0.958	69.746	0.069	0.069	0.000	0.000	0.000	0.000
585	A	655	THR	0	0.028	0.013	72.204	0.002	0.002	0.000	0.000	0.000	0.000
586	A	656	ARG	1	0.866	0.923	74.644	0.053	0.053	0.000	0.000	0.000	0.000
587	A	657	LEU	0	-0.011	0.004	76.380	0.002	0.002	0.000	0.000	0.000	0.000
588	A	658	MET	0	-0.022	-0.013	74.645	0.001	0.001	0.000	0.000	0.000	0.000
589	A	659	THR	0	-0.038	-0.025	78.580	0.001	0.001	0.000	0.000	0.000	0.000
590	A	660	ARG	1	0.712	0.840	80.760	0.047	0.047	0.000	0.000	0.000	0.000
591	A	661	ILE	0	-0.020	-0.006	80.039	0.001	0.001	0.000	0.000	0.000	0.000
592	A	662	ALA	0	0.007	0.007	81.918	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	663	GLY	0	-0.049	-0.027	83.253	0.002	0.002	0.000	0.000	0.000	0.000
594	A	664	SER	0	-0.082	-0.028	84.977	0.001	0.001	0.000	0.000	0.000	0.000
595	A	665	GLY	0	0.012	0.004	84.275	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	666	ALA	0	-0.047	-0.024	83.312	0.000	0.000	0.000	0.000	0.000	0.000
597	A	667	MET	0	0.042	0.016	75.987	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	668	ALA	0	-0.011	0.004	80.221	0.001	0.001	0.000	0.000	0.000	0.000
599	A	669	MET	0	0.010	0.028	72.966	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	670	VAL	0	-0.009	-0.013	77.902	0.002	0.002	0.000	0.000	0.000	0.000
601	A	671	GLU	-1	-0.854	-0.900	75.418	-0.072	-0.072	0.000	0.000	0.000	0.000
602	A	672	LEU	0	-0.025	-0.017	77.362	0.001	0.001	0.000	0.000	0.000	0.000
603	A	673	PRO	0	0.036	0.028	74.389	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	674	ALA	0	0.075	0.038	73.853	0.002	0.002	0.000	0.000	0.000	0.000
605	A	675	GLN	0	0.010	-0.004	75.546	0.003	0.003	0.000	0.000	0.000	0.000
606	A	676	GLN	0	0.013	0.003	77.220	0.000	0.000	0.000	0.000	0.000	0.000
607	A	677	VAL	0	0.045	0.028	78.900	0.002	0.002	0.000	0.000	0.000	0.000
608	A	678	LEU	0	0.009	0.002	77.788	0.002	0.002	0.000	0.000	0.000	0.000
609	A	679	SER	0	-0.027	-0.019	80.838	0.002	0.002	0.000	0.000	0.000	0.000
610	A	680	GLU	-1	-0.790	-0.843	83.262	-0.056	-0.056	0.000	0.000	0.000	0.000
611	A	681	LEU	0	-0.003	0.002	81.965	0.002	0.002	0.000	0.000	0.000	0.000
612	A	682	ALA	0	0.028	0.026	84.782	0.001	0.001	0.000	0.000	0.000	0.000
613	A	683	SER	0	-0.111	-0.073	86.679	0.002	0.002	0.000	0.000	0.000	0.000
614	A	684	ARG	1	0.850	0.922	88.764	0.050	0.050	0.000	0.000	0.000	0.000
615	A	685	GLY	0	-0.047	-0.017	90.110	0.001	0.001	0.000	0.000	0.000	0.000
616	A	686	VAL	0	-0.036	-0.010	87.088	0.001	0.001	0.000	0.000	0.000	0.000
617	A	687	ASP	-1	-0.913	-0.960	86.473	-0.049	-0.049	0.000	0.000	0.000	0.000
618	A	688	ASP	-1	-0.841	-0.887	86.252	-0.049	-0.049	0.000	0.000	0.000	0.000
619	A	689	VAL	0	-0.041	-0.028	83.325	0.000	0.000	0.000	0.000	0.000	0.000
620	A	690	VAL	0	-0.001	0.005	79.268	0.000	0.000	0.000	0.000	0.000	0.000
621	A	691	LEU	0	-0.010	-0.012	75.729	0.000	0.000	0.000	0.000	0.000	0.000
622	A	692	SER	0	0.018	0.000	75.972	0.000	0.000	0.000	0.000	0.000	0.000
623	A	693	VAL	0	-0.019	-0.014	70.354	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	694	VAL	0	-0.001	0.000	70.052	0.001	0.001	0.000	0.000	0.000	0.000
625	A	695	ALA	0	0.021	0.006	67.562	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	696	SER	0	0.018	-0.011	66.838	-0.003	-0.003	0.000	0.000	0.000	0.000
627	A	697	PRO	0	0.002	0.007	67.111	0.003	0.003	0.000	0.000	0.000	0.000
628	A	698	GLN	0	-0.070	-0.047	69.955	0.004	0.004	0.000	0.000	0.000	0.000
629	A	699	SER	0	-0.025	-0.024	72.193	0.002	0.002	0.000	0.000	0.000	0.000
630	A	700	THR	0	-0.034	-0.017	72.804	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	701	VAL	0	0.008	0.009	74.132	0.002	0.002	0.000	0.000	0.000	0.000
632	A	702	VAL	0	-0.015	0.000	76.537	0.000	0.000	0.000	0.000	0.000	0.000
633	A	703	GLY	0	0.068	0.023	79.629	0.000	0.000	0.000	0.000	0.000	0.000
634	A	704	GLY	0	0.024	0.005	81.078	0.000	0.000	0.000	0.000	0.000	0.000
635	A	705	ALA	0	0.015	0.024	84.175	0.000	0.000	0.000	0.000	0.000	0.000
636	A	706	THR	0	0.027	0.003	87.374	0.000	0.000	0.000	0.000	0.000	0.000
637	A	707	ALA	0	-0.057	-0.032	88.356	0.000	0.000	0.000	0.000	0.000	0.000
638	A	708	SER	0	0.036	-0.018	88.706	0.000	0.000	0.000	0.000	0.000	0.000
639	A	709	VAL	0	0.002	0.012	84.023	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	710	ARG	1	0.796	0.840	86.828	0.048	0.048	0.000	0.000	0.000	0.000
641	A	711	GLU	-1	-0.935	-0.949	88.820	-0.046	-0.046	0.000	0.000	0.000	0.000
642	A	712	LEU	0	0.002	-0.008	85.577	0.000	0.000	0.000	0.000	0.000	0.000
643	A	713	ILE	0	-0.013	0.000	84.552	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	714	GLU	-1	-0.904	-0.943	86.927	-0.048	-0.048	0.000	0.000	0.000	0.000
645	A	715	MET	0	-0.095	-0.018	89.109	0.000	0.000	0.000	0.000	0.000	0.000
646	A	716	TRP	0	-0.006	-0.035	83.069	0.000	0.000	0.000	0.000	0.000	0.000
647	A	717	GLU	-1	-0.791	-0.892	84.568	-0.057	-0.057	0.000	0.000	0.000	0.000
648	A	718	SER	0	-0.114	-0.063	87.726	0.000	0.000	0.000	0.000	0.000	0.000
649	A	719	ARG	1	0.728	0.830	84.507	0.057	0.057	0.000	0.000	0.000	0.000
650	A	720	GLY	0	-0.043	-0.022	86.764	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	721	VAL	0	-0.082	-0.036	81.633	-0.002	-0.002	0.000	0.000	0.000	0.000
652	A	722	MET	0	-0.035	-0.006	77.423	0.001	0.001	0.000	0.000	0.000	0.000
653	A	723	ALA	0	0.002	-0.018	81.029	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	724	ARG	1	0.935	0.967	77.948	0.064	0.064	0.000	0.000	0.000	0.000
655	A	725	GLU	-1	-0.782	-0.851	80.682	-0.052	-0.052	0.000	0.000	0.000	0.000
656	A	726	ILE	0	-0.046	-0.029	75.987	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	727	ALA	0	-0.041	-0.018	79.332	0.001	0.001	0.000	0.000	0.000	0.000
658	A	728	VAL	0	0.008	-0.007	77.001	-0.002	-0.002	0.000	0.000	0.000	0.000
659	A	729	ASP	-1	-0.887	-0.938	77.792	-0.055	-0.055	0.000	0.000	0.000	0.000
660	A	730	VAL	0	0.020	-0.001	78.031	0.002	0.002	0.000	0.000	0.000	0.000
661	A	731	ALA	0	0.019	0.029	78.471	-0.002	-0.002	0.000	0.000	0.000	0.000
662	A	732	SER	0	0.019	0.000	74.378	0.001	0.001	0.000	0.000	0.000	0.000
663	A	733	HIS	0	-0.003	0.039	71.410	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	734	SER	0	-0.005	-0.013	76.356	0.001	0.001	0.000	0.000	0.000	0.000
665	A	735	PRO	0	0.041	-0.007	80.077	0.000	0.000	0.000	0.000	0.000	0.000
666	A	736	GLN	0	-0.051	-0.014	82.438	0.002	0.002	0.000	0.000	0.000	0.000
667	A	737	VAL	0	0.024	0.011	77.538	0.001	0.001	0.000	0.000	0.000	0.000
668	A	738	ASP	-1	-0.747	-0.851	80.591	-0.053	-0.053	0.000	0.000	0.000	0.000
669	A	739	PRO	0	-0.071	-0.033	82.352	0.000	0.000	0.000	0.000	0.000	0.000
670	A	740	ILE	0	-0.032	-0.016	78.391	0.001	0.001	0.000	0.000	0.000	0.000
671	A	741	LEU	0	0.018	0.015	76.638	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	742	ASP	-1	-0.897	-0.943	77.812	-0.050	-0.050	0.000	0.000	0.000	0.000
673	A	743	ASP	-1	-0.806	-0.884	78.941	-0.047	-0.047	0.000	0.000	0.000	0.000
674	A	744	LEU	0	-0.032	-0.023	72.853	0.000	0.000	0.000	0.000	0.000	0.000
675	A	745	ILE	0	-0.007	-0.014	74.191	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	746	GLU	-1	-0.995	-0.989	74.373	-0.046	-0.046	0.000	0.000	0.000	0.000
677	A	747	ALA	0	-0.050	-0.025	74.590	0.000	0.000	0.000	0.000	0.000	0.000
678	A	748	LEU	0	-0.024	-0.006	69.259	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	749	ALA	0	0.015	0.009	70.166	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	750	ASP	-1	-0.929	-0.957	68.802	-0.059	-0.059	0.000	0.000	0.000	0.000
681	A	751	LEU	0	-0.067	-0.018	65.421	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	752	ASP	-1	-0.983	-0.994	61.371	-0.072	-0.072	0.000	0.000	0.000	0.000
683	A	753	PRO	0	-0.036	-0.007	60.703	-0.002	-0.002	0.000	0.000	0.000	0.000
684	A	754	ALA	0	-0.029	-0.013	55.683	0.001	0.001	0.000	0.000	0.000	0.000
685	A	755	GLU	-1	-0.867	-0.926	54.054	-0.099	-0.099	0.000	0.000	0.000	0.000
686	A	756	PRO	0	-0.053	-0.010	54.129	-0.002	-0.002	0.000	0.000	0.000	0.000
687	A	757	GLU	-1	-0.962	-0.980	48.653	-0.132	-0.132	0.000	0.000	0.000	0.000
688	A	758	ILE	0	-0.122	-0.044	48.380	-0.007	-0.007	0.000	0.000	0.000	0.000
689	A	759	PRO	0	0.008	-0.002	49.695	0.006	0.006	0.000	0.000	0.000	0.000
690	A	760	TYR	0	0.007	-0.039	52.822	0.000	0.000	0.000	0.000	0.000	0.000
691	A	761	TYR	0	-0.058	-0.053	54.195	0.000	0.000	0.000	0.000	0.000	0.000
692	A	762	SER	0	0.025	0.002	59.043	0.003	0.003	0.000	0.000	0.000	0.000
693	A	763	ALA	0	-0.038	-0.025	62.519	0.000	0.000	0.000	0.000	0.000	0.000
694	A	764	THR	0	-0.031	-0.019	65.464	0.004	0.004	0.000	0.000	0.000	0.000
695	A	765	LEU	0	0.044	0.028	63.767	0.003	0.003	0.000	0.000	0.000	0.000
696	A	766	TYR	0	-0.102	-0.076	67.374	0.000	0.000	0.000	0.000	0.000	0.000
697	A	767	ASP	-1	-0.847	-0.929	62.889	-0.097	-0.097	0.000	0.000	0.000	0.000
698	A	768	PRO	0	-0.067	-0.016	61.188	0.000	0.000	0.000	0.000	0.000	0.000
699	A	769	ARG	1	0.767	0.828	56.463	0.114	0.114	0.000	0.000	0.000	0.000
700	A	770	ASP	-1	-0.946	-0.954	59.482	-0.089	-0.089	0.000	0.000	0.000	0.000
701	A	771	TYR	0	-0.133	-0.077	58.553	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	772	ALA	0	-0.004	-0.003	60.779	0.003	0.003	0.000	0.000	0.000	0.000
703	A	773	ASP	-1	-0.878	-0.943	61.502	-0.080	-0.080	0.000	0.000	0.000	0.000
704	A	774	TYR	0	-0.042	-0.036	59.050	0.000	0.000	0.000	0.000	0.000	0.000
705	A	775	ASP	-1	-0.731	-0.881	64.216	-0.067	-0.067	0.000	0.000	0.000	0.000
706	A	776	ALA	0	-0.016	-0.005	67.071	0.000	0.000	0.000	0.000	0.000	0.000
707	A	777	TYR	0	-0.034	-0.036	70.580	0.001	0.001	0.000	0.000	0.000	0.000
708	A	778	TYR	0	0.028	0.022	64.016	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	779	TRP	0	-0.016	-0.024	63.595	-0.001	-0.001	0.000	0.000	0.000	0.000
710	A	780	ALA	0	-0.029	-0.010	69.765	0.001	0.001	0.000	0.000	0.000	0.000
711	A	781	ASP	-1	-0.838	-0.926	71.166	-0.065	-0.065	0.000	0.000	0.000	0.000
712	A	782	ASN	0	-0.096	-0.041	67.384	0.001	0.001	0.000	0.000	0.000	0.000
713	A	783	LEU	0	-0.051	-0.025	70.362	0.000	0.000	0.000	0.000	0.000	0.000
714	A	784	ARG	1	0.797	0.879	73.363	0.058	0.058	0.000	0.000	0.000	0.000
715	A	785	HIS	0	-0.047	-0.037	72.229	0.002	0.002	0.000	0.000	0.000	0.000
716	A	786	THR	0	-0.083	-0.057	72.363	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	787	VAL	0	0.036	0.022	68.003	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	788	ARG	1	0.864	0.937	67.535	0.076	0.076	0.000	0.000	0.000	0.000
719	A	789	PHE	0	0.064	0.016	61.687	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	790	SER	0	-0.025	-0.017	63.807	-0.003	-0.003	0.000	0.000	0.000	0.000
721	A	791	ALA	0	0.021	0.000	63.820	-0.003	-0.003	0.000	0.000	0.000	0.000
722	A	792	ALA	0	0.051	0.031	61.243	-0.003	-0.003	0.000	0.000	0.000	0.000
723	A	793	VAL	0	-0.008	-0.010	59.331	-0.004	-0.004	0.000	0.000	0.000	0.000
724	A	794	GLN	0	-0.039	-0.027	58.886	-0.002	-0.002	0.000	0.000	0.000	0.000
725	A	795	ALA	0	0.006	0.013	58.917	-0.004	-0.004	0.000	0.000	0.000	0.000
726	A	796	ALA	0	0.053	0.029	55.317	-0.005	-0.005	0.000	0.000	0.000	0.000
727	A	797	LEU	0	-0.058	-0.027	54.275	-0.007	-0.007	0.000	0.000	0.000	0.000
728	A	798	GLU	-1	-0.827	-0.888	54.537	-0.117	-0.117	0.000	0.000	0.000	0.000
729	A	799	ASP	-1	-0.793	-0.827	52.391	-0.132	-0.132	0.000	0.000	0.000	0.000
730	A	800	GLY	0	-0.035	-0.022	50.038	-0.007	-0.007	0.000	0.000	0.000	0.000
731	A	801	HIS	0	0.004	0.024	49.775	-0.010	-0.010	0.000	0.000	0.000	0.000
732	A	802	ARG	1	0.885	0.921	49.794	0.151	0.151	0.000	0.000	0.000	0.000
733	A	803	VAL	0	0.032	0.021	48.388	0.004	0.004	0.000	0.000	0.000	0.000
734	A	804	PHE	0	-0.017	0.000	51.471	0.001	0.001	0.000	0.000	0.000	0.000
735	A	805	ALA	0	0.026	0.003	53.159	0.001	0.001	0.000	0.000	0.000	0.000
736	A	806	GLU	-1	-0.733	-0.804	55.117	-0.092	-0.092	0.000	0.000	0.000	0.000
737	A	807	LEU	0	-0.009	0.006	53.777	0.000	0.000	0.000	0.000	0.000	0.000
738	A	808	SER	0	-0.014	-0.040	57.887	0.003	0.003	0.000	0.000	0.000	0.000
739	A	809	PRO	0	0.043	0.009	60.862	-0.002	-0.002	0.000	0.000	0.000	0.000
740	A	810	HIS	0	0.025	0.005	63.214	0.001	0.001	0.000	0.000	0.000	0.000
741	A	811	PRO	0	-0.010	0.020	61.602	0.001	0.001	0.000	0.000	0.000	0.000
742	A	812	LEU	0	-0.043	-0.038	63.409	0.003	0.003	0.000	0.000	0.000	0.000
743	A	813	LEU	0	-0.057	-0.042	63.082	0.002	0.002	0.000	0.000	0.000	0.000
744	A	814	THR	0	0.042	0.022	59.885	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	815	HIS	0	-0.023	-0.027	62.008	0.000	0.000	0.000	0.000	0.000	0.000
746	A	816	PRO	0	-0.017	-0.007	64.631	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	817	VAL	0	0.070	0.043	58.667	0.000	0.000	0.000	0.000	0.000	0.000
748	A	818	GLU	-1	-0.791	-0.872	60.241	-0.105	-0.105	0.000	0.000	0.000	0.000
749	A	819	GLN	0	-0.049	-0.014	61.853	0.000	0.000	0.000	0.000	0.000	0.000
750	A	820	THR	0	0.027	0.016	62.038	0.002	0.002	0.000	0.000	0.000	0.000
751	A	821	ALA	0	0.042	0.029	58.800	0.000	0.000	0.000	0.000	0.000	0.000
752	A	822	ARG	1	0.844	0.905	60.771	0.101	0.101	0.000	0.000	0.000	0.000
753	A	823	SER	0	-0.107	-0.043	62.731	0.001	0.001	0.000	0.000	0.000	0.000
754	A	824	LEU	0	-0.032	-0.017	60.894	0.001	0.001	0.000	0.000	0.000	0.000
755	A	825	ASP	-1	-0.964	-0.969	60.300	-0.111	-0.111	0.000	0.000	0.000	0.000
756	A	826	MET	0	-0.041	-0.021	55.603	-0.007	-0.007	0.000	0.000	0.000	0.000
757	A	827	PRO	0	-0.031	-0.012	52.896	0.002	0.002	0.000	0.000	0.000	0.000
758	A	828	LEU	0	-0.016	-0.027	53.514	-0.001	-0.001	0.000	0.000	0.000	0.000
759	A	829	ALA	0	-0.009	0.004	51.767	0.001	0.001	0.000	0.000	0.000	0.000
760	A	830	VAL	0	-0.017	-0.005	53.853	0.000	0.000	0.000	0.000	0.000	0.000
761	A	831	PHE	0	0.028	0.015	51.606	0.000	0.000	0.000	0.000	0.000	0.000
762	A	832	ALA	0	-0.011	-0.021	55.904	0.002	0.002	0.000	0.000	0.000	0.000
763	A	833	ALA	0	-0.001	0.023	55.501	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	834	MET	0	-0.037	-0.007	56.489	0.000	0.000	0.000	0.000	0.000	0.000
765	A	835	ARG	1	0.897	0.949	59.623	0.088	0.088	0.000	0.000	0.000	0.000
766	A	836	ARG	1	0.949	0.957	62.863	0.074	0.074	0.000	0.000	0.000	0.000
767	A	837	GLN	0	-0.010	-0.003	65.722	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	838	GLN	0	-0.013	0.006	57.200	0.002	0.002	0.000	0.000	0.000	0.000
769	A	839	GLU	-1	-0.913	-0.947	60.316	-0.079	-0.079	0.000	0.000	0.000	0.000
770	A	840	MET	0	-0.073	-0.037	56.009	-0.003	-0.003	0.000	0.000	0.000	0.000
771	A	841	PRO	0	0.010	-0.010	55.113	0.000	0.000	0.000	0.000	0.000	0.000
772	A	842	HIS	0	-0.011	-0.014	50.402	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	843	GLY	0	0.027	0.020	51.107	-0.005	-0.005	0.000	0.000	0.000	0.000
774	A	844	LEU	0	-0.008	-0.019	51.254	0.001	0.001	0.000	0.000	0.000	0.000
775	A	845	LEU	0	0.045	0.020	45.791	-0.005	-0.005	0.000	0.000	0.000	0.000
776	A	846	GLY	0	-0.001	-0.002	48.213	-0.006	-0.006	0.000	0.000	0.000	0.000
777	A	847	PHE	0	0.042	0.021	50.410	-0.003	-0.003	0.000	0.000	0.000	0.000
778	A	848	VAL	0	0.015	-0.002	44.720	-0.003	-0.003	0.000	0.000	0.000	0.000
779	A	849	ALA	0	-0.022	-0.013	45.739	-0.008	-0.008	0.000	0.000	0.000	0.000
780	A	850	ASP	-1	-0.907	-0.946	46.730	-0.141	-0.141	0.000	0.000	0.000	0.000
781	A	851	LEU	0	-0.036	-0.019	47.651	-0.003	-0.003	0.000	0.000	0.000	0.000
782	A	852	HIS	0	0.021	0.018	39.758	0.003	0.003	0.000	0.000	0.000	0.000
783	A	853	SER	0	-0.039	-0.031	44.134	-0.009	-0.009	0.000	0.000	0.000	0.000
784	A	854	ALA	0	-0.007	-0.013	45.999	-0.001	-0.001	0.000	0.000	0.000	0.000
785	A	855	GLY	0	0.002	0.003	43.817	0.000	0.000	0.000	0.000	0.000	0.000
786	A	856	ALA	0	-0.035	-0.012	44.011	-0.004	-0.004	0.000	0.000	0.000	0.000
787	A	857	ALA	0	0.001	-0.002	41.277	-0.005	-0.005	0.000	0.000	0.000	0.000
788	A	858	VAL	0	-0.017	-0.015	40.741	0.011	0.011	0.000	0.000	0.000	0.000
789	A	859	ASP	-1	-0.830	-0.874	36.653	-0.250	-0.250	0.000	0.000	0.000	0.000
790	A	860	PHE	0	0.046	-0.009	36.655	0.008	0.008	0.000	0.000	0.000	0.000
791	A	861	SER	0	-0.147	-0.091	34.031	0.000	0.000	0.000	0.000	0.000	0.000
792	A	862	VAL	0	0.021	0.011	35.605	0.004	0.004	0.000	0.000	0.000	0.000
793	A	863	LEU	0	-0.007	0.006	38.941	0.006	0.006	0.000	0.000	0.000	0.000
794	A	864	TYR	0	-0.064	-0.040	35.515	0.008	0.008	0.000	0.000	0.000	0.000
795	A	865	PRO	0	0.065	0.044	34.302	-0.021	-0.021	0.000	0.000	0.000	0.000
796	A	866	THR	0	-0.069	-0.045	30.613	-0.016	-0.016	0.000	0.000	0.000	0.000
797	A	867	GLY	0	0.009	0.000	30.178	0.017	0.017	0.000	0.000	0.000	0.000
798	A	868	ARG	1	0.768	0.862	27.957	0.208	0.208	0.000	0.000	0.000	0.000
799	A	869	LEU	0	0.011	0.014	24.484	0.016	0.016	0.000	0.000	0.000	0.000
800	A	870	LEU	0	-0.025	-0.008	27.606	-0.002	-0.002	0.000	0.000	0.000	0.000
801	A	871	ASP	-1	-0.836	-0.919	26.816	-0.430	-0.430	0.000	0.000	0.000	0.000
802	A	872	ALA	0	-0.024	-0.011	29.785	0.015	0.015	0.000	0.000	0.000	0.000
803	A	873	PRO	0	-0.022	-0.021	32.568	-0.018	-0.018	0.000	0.000	0.000	0.000
804	A	874	LEU	0	-0.018	0.005	29.442	0.004	0.004	0.000	0.000	0.000	0.000
805	A	875	PRO	0	0.008	-0.002	33.947	0.011	0.011	0.000	0.000	0.000	0.000
806	A	876	ALA	0	-0.031	0.000	36.775	-0.009	-0.009	0.000	0.000	0.000	0.000
807	A	877	TRP	0	-0.051	-0.043	33.298	0.003	0.003	0.000	0.000	0.000	0.000
808	A	878	THR	0	-0.037	-0.023	39.650	0.015	0.015	0.000	0.000	0.000	0.000
809	A	879	HIS	0	-0.094	-0.058	37.883	0.008	0.008	0.000	0.000	0.000	0.000
810	A	880	SER	0	-0.011	-0.007	42.966	0.008	0.008	0.000	0.000	0.000	0.000
811	A	881	THR	0	-0.040	-0.032	44.311	-0.005	-0.005	0.000	0.000	0.000	0.000
812	A	882	LEU	0	-0.023	0.007	43.449	0.008	0.008	0.000	0.000	0.000	0.000
813	A	883	LEU	0	0.019	-0.009	43.562	-0.010	-0.010	0.000	0.000	0.000	0.000
814	A	884	LEU	0	-0.017	0.010	45.441	0.007	0.007	0.000	0.000	0.000	0.000
815	A	885	ASP	-1	-0.897	-0.947	47.739	-0.143	-0.143	0.000	0.000	0.000	0.000
816	A	886	ARG	1	0.850	0.903	50.375	0.123	0.123	0.000	0.000	0.000	0.000
817	A	887	GLU	-1	-0.964	-0.955	46.434	-0.159	-0.159	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:4:ASN)