FMO DATABASE

FMODB ID: N916Q

Calculation Name: 3GB8-A-Xray372

Preferred Name: GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1

Target Type: PROTEIN COMPLEX

Ligand Name:

ligand 3-letter code:

PDB ID: 3GB8

Chain ID: A

ChEMBL ID: CHEMBL3885569

UniProt ID: O95149

Base Structure: X-ray

Registration Date: 2023-06-21

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

DOI:

Apendix: None

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	971
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27726587.295475
FMO2-HF: Nuclear repulsion	27329345.831812
FMO2-HF: Total energy	-397241.463663
FMO2-MP2: Total energy	-398387.686823

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:53:LEU)

Summations of interaction energy for fragment #1(A:53:LEU)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-10.903	-5.784	3.041	-3.662	-4.497	-0.022

Interaction energy analysis for fragmet #1(A:53:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.026 / q_NPA : 0.024

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	55	GLU	-1	-0.872	-0.953	2.226	-12.021	-8.169	2.941	-3.252	-3.540	-0.022
4	A	56	HIS	0	-0.003	-0.019	3.017	0.457	1.724	0.100	-0.410	-0.957	0.000
5	A	57	PRO	0	0.016	0.022	6.481	0.503	0.503	0.000	0.000	0.000	0.000
6	A	58	ASP	-1	-0.867	-0.954	9.601	-0.588	-0.588	0.000	0.000	0.000	0.000
7	A	59	ALA	0	0.070	0.044	11.266	0.150	0.150	0.000	0.000	0.000	0.000
8	A	60	TRP	0	-0.057	-0.038	10.952	0.067	0.067	0.000	0.000	0.000	0.000
9	A	61	THR	0	-0.031	-0.028	10.265	0.017	0.017	0.000	0.000	0.000	0.000
10	A	62	ARG	1	0.891	0.966	13.137	0.499	0.499	0.000	0.000	0.000	0.000
11	A	63	VAL	0	-0.029	-0.027	15.751	0.035	0.035	0.000	0.000	0.000	0.000
12	A	64	ASP	-1	-0.749	-0.847	11.365	-0.928	-0.928	0.000	0.000	0.000	0.000
13	A	65	THR	0	0.027	0.005	13.385	0.049	0.049	0.000	0.000	0.000	0.000
14	A	66	ILE	0	-0.036	-0.006	15.306	0.056	0.056	0.000	0.000	0.000	0.000
15	A	67	LEU	0	0.018	0.012	17.193	0.044	0.044	0.000	0.000	0.000	0.000
16	A	68	GLU	-1	-0.859	-0.924	11.489	-0.788	-0.788	0.000	0.000	0.000	0.000
17	A	69	PHE	0	-0.044	-0.040	16.137	0.039	0.039	0.000	0.000	0.000	0.000
18	A	70	SER	0	-0.031	-0.007	17.710	0.041	0.041	0.000	0.000	0.000	0.000
19	A	71	GLN	0	-0.051	-0.029	17.963	0.008	0.008	0.000	0.000	0.000	0.000
20	A	72	ASN	0	-0.027	-0.002	13.929	0.028	0.028	0.000	0.000	0.000	0.000
21	A	73	MET	0	0.036	0.034	13.316	0.038	0.038	0.000	0.000	0.000	0.000
22	A	74	ASN	0	0.030	-0.015	16.215	-0.041	-0.041	0.000	0.000	0.000	0.000
23	A	75	THR	0	0.034	-0.002	11.056	0.030	0.030	0.000	0.000	0.000	0.000
24	A	76	LYS	1	0.936	0.997	11.672	0.038	0.038	0.000	0.000	0.000	0.000
25	A	77	TYR	0	-0.020	-0.031	12.713	-0.038	-0.038	0.000	0.000	0.000	0.000
26	A	78	TYR	0	0.024	0.031	5.532	0.104	0.104	0.000	0.000	0.000	0.000
27	A	79	GLY	0	0.062	0.031	9.623	-0.154	-0.154	0.000	0.000	0.000	0.000
28	A	80	LEU	0	-0.037	-0.032	11.832	-0.003	-0.003	0.000	0.000	0.000	0.000
29	A	81	GLN	0	0.029	0.027	6.968	0.246	0.246	0.000	0.000	0.000	0.000
30	A	82	ILE	0	-0.008	-0.005	7.186	-0.086	-0.086	0.000	0.000	0.000	0.000
31	A	83	LEU	0	-0.036	-0.020	10.460	0.046	0.046	0.000	0.000	0.000	0.000
32	A	84	GLU	-1	-0.765	-0.873	13.810	-0.317	-0.317	0.000	0.000	0.000	0.000
33	A	85	ASN	0	0.004	0.020	10.340	0.102	0.102	0.000	0.000	0.000	0.000
34	A	86	VAL	0	0.011	0.014	12.404	0.100	0.100	0.000	0.000	0.000	0.000
35	A	87	ILE	0	-0.106	-0.062	14.346	0.069	0.069	0.000	0.000	0.000	0.000
36	A	88	LYS	1	0.853	0.910	15.849	0.271	0.271	0.000	0.000	0.000	0.000
37	A	89	THR	0	-0.013	0.013	13.850	0.035	0.035	0.000	0.000	0.000	0.000
38	A	90	ARG	1	0.803	0.906	14.897	0.598	0.598	0.000	0.000	0.000	0.000
39	A	91	TRP	0	0.033	-0.013	18.734	0.009	0.009	0.000	0.000	0.000	0.000
40	A	92	LYS	1	0.817	0.931	22.031	0.150	0.150	0.000	0.000	0.000	0.000
41	A	93	ILE	0	0.068	0.063	23.604	0.013	0.013	0.000	0.000	0.000	0.000
42	A	94	LEU	0	-0.055	-0.027	20.879	0.004	0.004	0.000	0.000	0.000	0.000
43	A	95	PRO	0	-0.007	0.004	24.850	-0.005	-0.005	0.000	0.000	0.000	0.000
44	A	96	ARG	1	0.861	0.848	25.926	0.168	0.168	0.000	0.000	0.000	0.000
45	A	97	ASN	0	-0.009	-0.003	26.773	-0.020	-0.020	0.000	0.000	0.000	0.000
46	A	98	GLN	0	0.015	0.024	22.136	-0.026	-0.026	0.000	0.000	0.000	0.000
47	A	99	CYS	0	0.056	0.040	22.342	-0.002	-0.002	0.000	0.000	0.000	0.000
48	A	100	GLU	-1	-0.813	-0.902	23.508	-0.159	-0.159	0.000	0.000	0.000	0.000
49	A	101	GLY	0	0.016	0.018	25.419	0.014	0.014	0.000	0.000	0.000	0.000
50	A	102	ILE	0	0.016	0.008	19.088	0.001	0.001	0.000	0.000	0.000	0.000
51	A	103	LYS	1	0.795	0.884	22.886	0.171	0.171	0.000	0.000	0.000	0.000
52	A	104	LYS	1	0.850	0.918	25.466	0.172	0.172	0.000	0.000	0.000	0.000
53	A	105	TYR	0	0.035	0.027	19.322	0.003	0.003	0.000	0.000	0.000	0.000
54	A	106	VAL	0	0.019	-0.002	20.741	0.005	0.005	0.000	0.000	0.000	0.000
55	A	107	VAL	0	0.008	-0.004	23.389	0.010	0.010	0.000	0.000	0.000	0.000
56	A	108	GLY	0	0.042	0.024	26.922	0.012	0.012	0.000	0.000	0.000	0.000
57	A	109	LEU	0	-0.008	0.002	20.788	0.014	0.014	0.000	0.000	0.000	0.000
58	A	110	ILE	0	0.011	0.020	24.331	0.013	0.013	0.000	0.000	0.000	0.000
59	A	111	ILE	0	0.001	0.024	26.643	0.013	0.013	0.000	0.000	0.000	0.000
60	A	112	LYS	1	0.951	0.986	24.521	0.158	0.158	0.000	0.000	0.000	0.000
61	A	113	THR	0	-0.084	-0.078	25.104	0.006	0.006	0.000	0.000	0.000	0.000
62	A	114	SER	0	-0.054	-0.034	27.866	0.010	0.010	0.000	0.000	0.000	0.000
63	A	115	SER	0	0.050	0.002	30.520	0.006	0.006	0.000	0.000	0.000	0.000
64	A	116	ASP	-1	-0.887	-0.929	33.335	-0.076	-0.076	0.000	0.000	0.000	0.000
65	A	117	PRO	0	-0.045	-0.025	29.476	0.005	0.005	0.000	0.000	0.000	0.000
66	A	118	THR	0	-0.027	-0.006	32.362	0.008	0.008	0.000	0.000	0.000	0.000
67	A	119	CYS	0	-0.019	-0.014	34.226	0.002	0.002	0.000	0.000	0.000	0.000
68	A	120	VAL	0	0.054	0.056	28.204	0.005	0.005	0.000	0.000	0.000	0.000
69	A	121	GLU	-1	-0.917	-0.962	30.207	-0.025	-0.025	0.000	0.000	0.000	0.000
70	A	122	LYS	1	0.871	0.899	26.326	0.027	0.027	0.000	0.000	0.000	0.000
71	A	123	GLU	-1	-0.800	-0.887	24.654	-0.075	-0.075	0.000	0.000	0.000	0.000
72	A	124	LYS	1	0.832	0.896	24.362	0.053	0.053	0.000	0.000	0.000	0.000
73	A	125	VAL	0	0.012	0.009	19.948	-0.008	-0.008	0.000	0.000	0.000	0.000
74	A	126	TYR	0	0.015	0.002	19.713	-0.013	-0.013	0.000	0.000	0.000	0.000
75	A	127	ILE	0	0.005	0.020	21.051	-0.020	-0.020	0.000	0.000	0.000	0.000
76	A	128	GLY	0	0.025	0.023	23.408	-0.011	-0.011	0.000	0.000	0.000	0.000
77	A	129	LYS	1	0.820	0.895	14.413	0.300	0.300	0.000	0.000	0.000	0.000
78	A	130	LEU	0	-0.002	-0.006	19.179	-0.028	-0.028	0.000	0.000	0.000	0.000
79	A	131	ASN	0	-0.001	-0.027	20.985	-0.016	-0.016	0.000	0.000	0.000	0.000
80	A	132	MET	0	0.013	0.020	19.595	0.002	0.002	0.000	0.000	0.000	0.000
81	A	133	ILE	0	0.030	0.012	17.529	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	134	LEU	0	-0.035	-0.010	20.166	-0.004	-0.004	0.000	0.000	0.000	0.000
83	A	135	VAL	0	0.015	0.002	23.667	0.006	0.006	0.000	0.000	0.000	0.000
84	A	136	GLN	0	-0.015	-0.020	17.540	-0.024	-0.024	0.000	0.000	0.000	0.000
85	A	137	ILE	0	-0.001	0.004	21.414	0.001	0.001	0.000	0.000	0.000	0.000
86	A	138	LEU	0	-0.050	-0.015	23.126	0.010	0.010	0.000	0.000	0.000	0.000
87	A	139	LYS	1	0.824	0.924	23.008	0.147	0.147	0.000	0.000	0.000	0.000
88	A	140	GLN	0	-0.038	-0.020	21.453	-0.007	-0.007	0.000	0.000	0.000	0.000
89	A	141	GLU	-1	-0.769	-0.854	26.012	-0.168	-0.168	0.000	0.000	0.000	0.000
90	A	142	TRP	0	-0.050	-0.004	28.207	0.010	0.010	0.000	0.000	0.000	0.000
91	A	143	PRO	0	0.082	0.025	31.104	0.000	0.000	0.000	0.000	0.000	0.000
92	A	144	LYS	1	0.929	0.949	31.630	0.127	0.127	0.000	0.000	0.000	0.000
93	A	145	HIS	0	-0.009	-0.007	30.936	0.003	0.003	0.000	0.000	0.000	0.000
94	A	146	TRP	0	-0.012	-0.023	27.286	-0.015	-0.015	0.000	0.000	0.000	0.000
95	A	147	PRO	0	0.037	0.023	32.870	0.002	0.002	0.000	0.000	0.000	0.000
96	A	148	THR	0	-0.038	-0.034	35.517	0.003	0.003	0.000	0.000	0.000	0.000
97	A	149	PHE	0	0.022	0.024	30.503	0.004	0.004	0.000	0.000	0.000	0.000
98	A	150	ILE	0	0.022	0.005	34.576	0.001	0.001	0.000	0.000	0.000	0.000
99	A	151	SER	0	0.052	0.031	37.149	0.005	0.005	0.000	0.000	0.000	0.000
100	A	152	ASP	-1	-0.903	-0.941	35.541	-0.099	-0.099	0.000	0.000	0.000	0.000
101	A	153	ILE	0	-0.062	-0.036	32.172	0.002	0.002	0.000	0.000	0.000	0.000
102	A	154	VAL	0	0.026	0.027	35.934	0.004	0.004	0.000	0.000	0.000	0.000
103	A	155	GLY	0	0.018	0.021	39.460	0.003	0.003	0.000	0.000	0.000	0.000
104	A	156	ALA	0	-0.021	-0.008	35.696	0.002	0.002	0.000	0.000	0.000	0.000
105	A	157	SER	0	0.048	-0.004	36.851	0.005	0.005	0.000	0.000	0.000	0.000
106	A	158	ARG	1	0.838	0.931	38.293	0.056	0.056	0.000	0.000	0.000	0.000
107	A	159	THR	0	-0.022	-0.011	40.795	0.004	0.004	0.000	0.000	0.000	0.000
108	A	160	SER	0	0.003	0.011	37.064	0.003	0.003	0.000	0.000	0.000	0.000
109	A	161	GLU	-1	-0.730	-0.856	38.601	-0.045	-0.045	0.000	0.000	0.000	0.000
110	A	162	SER	0	-0.023	-0.011	34.940	0.001	0.001	0.000	0.000	0.000	0.000
111	A	163	LEU	0	-0.003	0.002	32.791	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	164	CYS	0	-0.022	-0.004	34.305	-0.003	-0.003	0.000	0.000	0.000	0.000
113	A	165	GLN	0	-0.056	-0.026	33.589	0.001	0.001	0.000	0.000	0.000	0.000
114	A	166	ASN	0	0.039	0.009	27.631	0.004	0.004	0.000	0.000	0.000	0.000
115	A	167	ASN	0	0.026	0.013	30.945	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	168	MET	0	0.034	0.049	33.077	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	169	VAL	0	-0.017	-0.008	28.543	0.000	0.000	0.000	0.000	0.000	0.000
118	A	170	ILE	0	-0.043	-0.023	27.544	-0.003	-0.003	0.000	0.000	0.000	0.000
119	A	171	LEU	0	0.003	-0.011	29.755	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	172	LYS	1	0.863	0.925	31.215	0.054	0.054	0.000	0.000	0.000	0.000
121	A	173	LEU	0	0.013	0.005	25.439	0.001	0.001	0.000	0.000	0.000	0.000
122	A	174	LEU	0	-0.005	0.007	28.269	-0.003	-0.003	0.000	0.000	0.000	0.000
123	A	175	SER	0	0.012	-0.001	29.627	0.002	0.002	0.000	0.000	0.000	0.000
124	A	176	GLU	-1	-0.896	-0.944	28.768	-0.055	-0.055	0.000	0.000	0.000	0.000
125	A	177	GLU	-1	-0.854	-0.919	24.115	-0.126	-0.126	0.000	0.000	0.000	0.000
126	A	178	VAL	0	-0.065	-0.027	28.667	-0.003	-0.003	0.000	0.000	0.000	0.000
127	A	179	PHE	0	-0.023	0.001	29.106	0.008	0.008	0.000	0.000	0.000	0.000
128	A	187	THR	0	0.060	0.022	36.355	-0.002	-0.002	0.000	0.000	0.000	0.000
129	A	188	GLN	0	0.024	0.030	38.253	-0.003	-0.003	0.000	0.000	0.000	0.000
130	A	189	VAL	0	0.104	0.041	41.691	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	190	LYS	1	0.947	0.983	33.278	0.074	0.074	0.000	0.000	0.000	0.000
132	A	191	SER	0	0.001	-0.023	38.281	-0.003	-0.003	0.000	0.000	0.000	0.000
133	A	192	LYS	1	0.859	0.912	39.493	0.039	0.039	0.000	0.000	0.000	0.000
134	A	193	HIS	0	0.058	0.027	39.256	0.002	0.002	0.000	0.000	0.000	0.000
135	A	194	LEU	0	-0.021	0.011	35.521	-0.002	-0.002	0.000	0.000	0.000	0.000
136	A	195	LYS	1	0.794	0.892	39.703	0.040	0.040	0.000	0.000	0.000	0.000
137	A	196	ASP	-1	-0.854	-0.894	42.247	-0.043	-0.043	0.000	0.000	0.000	0.000
138	A	197	SER	0	-0.052	-0.051	40.738	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	198	MET	0	-0.037	-0.009	34.996	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	199	CYS	0	0.034	0.019	40.598	0.001	0.001	0.000	0.000	0.000	0.000
141	A	200	ASN	0	0.013	0.004	43.077	0.004	0.004	0.000	0.000	0.000	0.000
142	A	201	GLU	-1	-0.862	-0.933	37.847	-0.073	-0.073	0.000	0.000	0.000	0.000
143	A	202	PHE	0	0.026	0.007	37.492	0.000	0.000	0.000	0.000	0.000	0.000
144	A	203	SER	0	-0.048	-0.041	41.374	0.003	0.003	0.000	0.000	0.000	0.000
145	A	204	GLN	0	-0.001	-0.019	41.573	0.001	0.001	0.000	0.000	0.000	0.000
146	A	205	ILE	0	0.027	0.032	37.223	0.001	0.001	0.000	0.000	0.000	0.000
147	A	206	PHE	0	0.022	0.008	40.738	0.002	0.002	0.000	0.000	0.000	0.000
148	A	207	GLN	0	-0.011	-0.006	43.822	0.001	0.001	0.000	0.000	0.000	0.000
149	A	208	LEU	0	-0.002	0.009	38.600	0.002	0.002	0.000	0.000	0.000	0.000
150	A	209	CYS	0	-0.018	-0.020	41.142	0.002	0.002	0.000	0.000	0.000	0.000
151	A	210	GLN	0	-0.019	-0.010	43.216	0.003	0.003	0.000	0.000	0.000	0.000
152	A	211	PHE	0	0.031	0.013	44.874	0.002	0.002	0.000	0.000	0.000	0.000
153	A	212	VAL	0	0.044	0.024	41.460	0.002	0.002	0.000	0.000	0.000	0.000
154	A	213	MET	0	-0.044	-0.030	44.776	0.003	0.003	0.000	0.000	0.000	0.000
155	A	214	GLU	-1	-0.887	-0.940	46.737	-0.027	-0.027	0.000	0.000	0.000	0.000
156	A	215	ASN	0	-0.089	-0.037	48.089	0.002	0.002	0.000	0.000	0.000	0.000
157	A	216	SER	0	-0.029	-0.015	43.874	0.001	0.001	0.000	0.000	0.000	0.000
158	A	217	GLN	0	-0.002	-0.014	46.243	0.003	0.003	0.000	0.000	0.000	0.000
159	A	218	ASN	0	-0.034	-0.013	39.943	0.003	0.003	0.000	0.000	0.000	0.000
160	A	219	ALA	0	0.041	0.014	42.053	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	220	PRO	0	0.022	-0.001	37.457	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	221	LEU	0	0.026	0.041	37.926	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	222	VAL	0	0.030	0.009	39.199	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	223	HIS	1	0.801	0.893	37.933	0.029	0.029	0.000	0.000	0.000	0.000
165	A	224	ALA	0	0.035	0.018	35.315	0.000	0.000	0.000	0.000	0.000	0.000
166	A	225	THR	0	0.001	-0.013	37.040	-0.004	-0.004	0.000	0.000	0.000	0.000
167	A	226	LEU	0	-0.010	-0.003	39.496	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	227	GLU	-1	-0.857	-0.931	35.207	-0.034	-0.034	0.000	0.000	0.000	0.000
169	A	228	THR	0	-0.023	-0.017	35.884	-0.003	-0.003	0.000	0.000	0.000	0.000
170	A	229	LEU	0	0.022	0.002	37.454	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	230	LEU	0	0.010	-0.003	38.902	0.000	0.000	0.000	0.000	0.000	0.000
172	A	231	ARG	1	0.848	0.930	32.830	0.054	0.054	0.000	0.000	0.000	0.000
173	A	232	PHE	0	0.039	0.008	34.619	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	233	LEU	0	-0.010	-0.001	39.440	0.000	0.000	0.000	0.000	0.000	0.000
175	A	234	ASN	0	-0.014	-0.016	41.072	0.002	0.002	0.000	0.000	0.000	0.000
176	A	235	TRP	0	-0.030	0.001	36.824	0.000	0.000	0.000	0.000	0.000	0.000
177	A	236	ILE	0	-0.022	0.000	41.878	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	237	PRO	0	0.026	0.008	44.181	0.003	0.003	0.000	0.000	0.000	0.000
179	A	238	LEU	0	0.047	0.017	47.559	0.000	0.000	0.000	0.000	0.000	0.000
180	A	239	GLY	0	0.079	0.049	50.296	0.001	0.001	0.000	0.000	0.000	0.000
181	A	240	TYR	0	-0.052	-0.020	47.062	0.001	0.001	0.000	0.000	0.000	0.000
182	A	241	ILE	0	0.004	0.024	47.024	0.001	0.001	0.000	0.000	0.000	0.000
183	A	242	PHE	0	-0.021	-0.028	50.480	0.001	0.001	0.000	0.000	0.000	0.000
184	A	243	GLU	-1	-0.896	-0.918	54.203	-0.028	-0.028	0.000	0.000	0.000	0.000
185	A	244	THR	0	-0.012	-0.014	51.727	0.000	0.000	0.000	0.000	0.000	0.000
186	A	245	LYS	1	0.949	0.967	53.853	0.024	0.024	0.000	0.000	0.000	0.000
187	A	246	LEU	0	0.051	0.053	47.424	0.001	0.001	0.000	0.000	0.000	0.000
188	A	247	ILE	0	0.045	0.030	51.534	0.001	0.001	0.000	0.000	0.000	0.000
189	A	248	SER	0	0.008	-0.005	52.977	0.001	0.001	0.000	0.000	0.000	0.000
190	A	249	THR	0	-0.033	-0.029	50.874	0.001	0.001	0.000	0.000	0.000	0.000
191	A	250	LEU	0	-0.006	-0.005	46.575	0.001	0.001	0.000	0.000	0.000	0.000
192	A	251	ILE	0	0.001	0.004	50.450	0.001	0.001	0.000	0.000	0.000	0.000
193	A	252	TYR	0	0.009	-0.007	53.238	0.001	0.001	0.000	0.000	0.000	0.000
194	A	253	LYS	1	0.777	0.878	50.303	0.029	0.029	0.000	0.000	0.000	0.000
195	A	254	PHE	0	-0.020	-0.018	47.485	0.000	0.000	0.000	0.000	0.000	0.000
196	A	255	LEU	0	0.005	0.005	49.078	0.001	0.001	0.000	0.000	0.000	0.000
197	A	256	ASN	0	0.019	0.008	50.296	0.002	0.002	0.000	0.000	0.000	0.000
198	A	257	VAL	0	0.002	0.015	48.519	0.001	0.001	0.000	0.000	0.000	0.000
199	A	258	PRO	0	0.048	0.011	47.920	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	259	MET	0	0.008	-0.003	42.849	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	260	PHE	0	-0.003	-0.014	42.884	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	261	ARG	1	0.798	0.939	44.872	0.007	0.007	0.000	0.000	0.000	0.000
203	A	262	ASN	0	0.011	-0.005	42.552	0.000	0.000	0.000	0.000	0.000	0.000
204	A	263	VAL	0	0.028	0.018	40.263	0.000	0.000	0.000	0.000	0.000	0.000
205	A	264	SER	0	0.021	-0.004	42.709	-0.002	-0.002	0.000	0.000	0.000	0.000
206	A	265	LEU	0	0.013	0.019	46.212	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	266	LYS	1	0.977	0.990	38.720	0.019	0.019	0.000	0.000	0.000	0.000
208	A	267	CYS	0	-0.029	0.004	43.481	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	268	LEU	0	0.000	0.001	45.179	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	269	THR	0	0.027	0.007	45.952	0.001	0.001	0.000	0.000	0.000	0.000
211	A	270	GLU	-1	-0.926	-0.939	42.163	-0.029	-0.029	0.000	0.000	0.000	0.000
212	A	271	ILE	0	-0.040	-0.026	45.736	0.000	0.000	0.000	0.000	0.000	0.000
213	A	272	ALA	0	-0.045	-0.028	48.750	0.000	0.000	0.000	0.000	0.000	0.000
214	A	273	GLY	0	0.043	0.015	47.990	0.001	0.001	0.000	0.000	0.000	0.000
215	A	274	VAL	0	-0.056	-0.015	48.081	0.000	0.000	0.000	0.000	0.000	0.000
216	A	275	SER	0	-0.036	-0.049	49.960	0.001	0.001	0.000	0.000	0.000	0.000
217	A	276	VAL	0	-0.062	-0.032	52.252	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	277	SER	0	0.001	0.002	54.813	0.001	0.001	0.000	0.000	0.000	0.000
219	A	278	GLN	0	0.040	0.017	55.069	0.002	0.002	0.000	0.000	0.000	0.000
220	A	279	TYR	0	-0.033	-0.060	53.893	0.000	0.000	0.000	0.000	0.000	0.000
221	A	280	GLU	-1	-0.794	-0.867	58.464	-0.015	-0.015	0.000	0.000	0.000	0.000
222	A	281	GLU	-1	-0.821	-0.916	60.765	-0.015	-0.015	0.000	0.000	0.000	0.000
223	A	282	GLN	0	-0.030	-0.004	56.871	0.000	0.000	0.000	0.000	0.000	0.000
224	A	283	PHE	0	0.026	0.017	52.920	0.000	0.000	0.000	0.000	0.000	0.000
225	A	284	VAL	0	0.040	0.021	57.522	0.001	0.001	0.000	0.000	0.000	0.000
226	A	285	THR	0	-0.041	-0.027	59.010	0.001	0.001	0.000	0.000	0.000	0.000
227	A	286	LEU	0	-0.005	-0.002	52.398	0.000	0.000	0.000	0.000	0.000	0.000
228	A	287	PHE	0	-0.014	0.007	56.119	0.001	0.001	0.000	0.000	0.000	0.000
229	A	288	THR	0	0.007	-0.009	58.045	0.001	0.001	0.000	0.000	0.000	0.000
230	A	289	LEU	0	0.001	-0.001	57.707	0.001	0.001	0.000	0.000	0.000	0.000
231	A	290	THR	0	0.020	0.002	52.913	0.000	0.000	0.000	0.000	0.000	0.000
232	A	291	MET	0	-0.009	0.009	55.847	0.001	0.001	0.000	0.000	0.000	0.000
233	A	292	MET	0	-0.093	-0.032	58.312	0.001	0.001	0.000	0.000	0.000	0.000
234	A	293	GLN	0	0.002	-0.023	55.094	0.000	0.000	0.000	0.000	0.000	0.000
235	A	294	LEU	0	0.009	0.012	52.270	0.001	0.001	0.000	0.000	0.000	0.000
236	A	295	LYS	1	0.783	0.874	55.972	0.008	0.008	0.000	0.000	0.000	0.000
237	A	296	GLN	0	-0.019	-0.010	57.781	0.000	0.000	0.000	0.000	0.000	0.000
238	A	297	MET	0	-0.077	-0.019	52.315	0.000	0.000	0.000	0.000	0.000	0.000
239	A	298	LEU	0	-0.012	-0.003	51.651	0.001	0.001	0.000	0.000	0.000	0.000
240	A	299	PRO	0	0.046	0.056	55.983	0.000	0.000	0.000	0.000	0.000	0.000
241	A	300	LEU	0	0.034	0.015	59.577	0.001	0.001	0.000	0.000	0.000	0.000
242	A	301	ASN	0	-0.043	-0.013	61.273	0.000	0.000	0.000	0.000	0.000	0.000
243	A	302	THR	0	-0.024	-0.024	56.057	0.001	0.001	0.000	0.000	0.000	0.000
244	A	303	ASN	0	0.020	0.002	57.746	0.001	0.001	0.000	0.000	0.000	0.000
245	A	304	ILE	0	0.039	0.009	52.964	0.001	0.001	0.000	0.000	0.000	0.000
246	A	305	ARG	1	0.890	0.941	53.140	-0.010	-0.010	0.000	0.000	0.000	0.000
247	A	306	LEU	0	-0.005	-0.002	52.852	0.001	0.001	0.000	0.000	0.000	0.000
248	A	307	ALA	0	-0.049	-0.034	52.611	0.001	0.001	0.000	0.000	0.000	0.000
249	A	308	TYR	0	-0.015	-0.018	44.002	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	309	SER	0	0.029	0.014	48.034	0.000	0.000	0.000	0.000	0.000	0.000
251	A	310	ASN	0	-0.080	-0.032	48.275	0.002	0.002	0.000	0.000	0.000	0.000
252	A	311	GLY	0	-0.006	0.007	47.950	0.001	0.001	0.000	0.000	0.000	0.000
253	A	312	LYS	1	0.872	0.919	43.717	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	313	ASP	-1	-0.809	-0.909	39.469	0.006	0.006	0.000	0.000	0.000	0.000
255	A	314	ASP	-1	-0.863	-0.917	42.262	-0.008	-0.008	0.000	0.000	0.000	0.000
256	A	315	GLU	-1	-0.795	-0.897	43.795	0.000	0.000	0.000	0.000	0.000	0.000
257	A	316	GLN	0	-0.001	0.019	43.910	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	317	ASN	0	-0.037	-0.044	40.231	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	318	PHE	0	-0.011	0.000	43.921	-0.002	-0.002	0.000	0.000	0.000	0.000
260	A	319	ILE	0	0.039	0.031	46.988	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	320	GLN	0	0.010	0.012	41.297	0.001	0.001	0.000	0.000	0.000	0.000
262	A	321	ASN	0	-0.034	-0.043	42.889	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	322	LEU	0	-0.007	0.015	46.575	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	323	SER	0	0.030	0.001	49.535	0.000	0.000	0.000	0.000	0.000	0.000
265	A	324	LEU	0	0.015	0.008	43.640	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	325	PHE	0	-0.020	-0.012	48.140	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	326	LEU	0	-0.027	-0.012	50.274	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	327	CYS	0	-0.019	0.017	50.242	0.000	0.000	0.000	0.000	0.000	0.000
269	A	328	THR	0	0.013	-0.004	48.146	0.000	0.000	0.000	0.000	0.000	0.000
270	A	329	PHE	0	-0.030	-0.023	50.593	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	330	LEU	0	-0.064	-0.044	53.557	0.000	0.000	0.000	0.000	0.000	0.000
272	A	331	LYS	1	0.862	0.917	48.834	0.011	0.011	0.000	0.000	0.000	0.000
273	A	332	GLU	-1	-0.863	-0.879	52.128	-0.017	-0.017	0.000	0.000	0.000	0.000
274	A	333	HIS	1	0.820	0.909	53.073	0.018	0.018	0.000	0.000	0.000	0.000
275	A	334	ASP	-1	-0.760	-0.865	57.573	-0.009	-0.009	0.000	0.000	0.000	0.000
276	A	335	GLN	0	0.019	0.004	60.014	0.000	0.000	0.000	0.000	0.000	0.000
277	A	336	LEU	0	-0.036	-0.013	59.456	0.000	0.000	0.000	0.000	0.000	0.000
278	A	337	ILE	0	-0.015	-0.015	60.433	0.000	0.000	0.000	0.000	0.000	0.000
279	A	338	GLU	-1	-0.801	-0.842	63.696	-0.007	-0.007	0.000	0.000	0.000	0.000
280	A	339	LYS	1	0.888	0.932	65.648	0.012	0.012	0.000	0.000	0.000	0.000
281	A	340	ARG	1	0.786	0.886	65.209	0.014	0.014	0.000	0.000	0.000	0.000
282	A	341	LEU	0	0.048	0.013	68.618	0.000	0.000	0.000	0.000	0.000	0.000
283	A	342	ASN	0	-0.025	-0.019	69.928	0.000	0.000	0.000	0.000	0.000	0.000
284	A	343	LEU	0	-0.009	-0.012	64.153	0.000	0.000	0.000	0.000	0.000	0.000
285	A	344	ARG	1	0.935	0.989	66.151	0.007	0.007	0.000	0.000	0.000	0.000
286	A	345	GLU	-1	-0.862	-0.912	66.876	-0.005	-0.005	0.000	0.000	0.000	0.000
287	A	346	THR	0	0.007	0.005	62.556	0.000	0.000	0.000	0.000	0.000	0.000
288	A	347	LEU	0	0.010	-0.010	61.892	0.000	0.000	0.000	0.000	0.000	0.000
289	A	348	MET	0	-0.027	-0.033	62.622	0.001	0.001	0.000	0.000	0.000	0.000
290	A	349	GLU	-1	-0.796	-0.878	62.168	-0.006	-0.006	0.000	0.000	0.000	0.000
291	A	350	ALA	0	0.024	0.008	58.466	0.000	0.000	0.000	0.000	0.000	0.000
292	A	351	LEU	0	0.020	-0.001	58.678	0.001	0.001	0.000	0.000	0.000	0.000
293	A	352	HIS	0	-0.004	0.001	59.978	0.001	0.001	0.000	0.000	0.000	0.000
294	A	353	TYR	0	0.042	-0.005	56.139	0.000	0.000	0.000	0.000	0.000	0.000
295	A	354	MET	0	0.004	0.020	52.825	0.001	0.001	0.000	0.000	0.000	0.000
296	A	355	LEU	0	-0.074	-0.027	56.491	0.001	0.001	0.000	0.000	0.000	0.000
297	A	356	LEU	0	-0.014	-0.009	57.544	0.001	0.001	0.000	0.000	0.000	0.000
298	A	357	VAL	0	0.002	-0.007	51.356	0.001	0.001	0.000	0.000	0.000	0.000
299	A	358	SER	0	-0.017	-0.024	53.259	0.001	0.001	0.000	0.000	0.000	0.000
300	A	359	GLU	-1	-0.934	-0.977	55.046	0.006	0.006	0.000	0.000	0.000	0.000
301	A	360	VAL	0	-0.054	-0.019	49.288	0.001	0.001	0.000	0.000	0.000	0.000
302	A	361	GLU	-1	-0.852	-0.892	49.891	0.014	0.014	0.000	0.000	0.000	0.000
303	A	362	GLU	-1	-0.873	-0.940	45.305	0.013	0.013	0.000	0.000	0.000	0.000
304	A	363	THR	0	-0.004	-0.006	45.042	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	364	GLU	-1	-0.891	-0.960	41.322	0.011	0.011	0.000	0.000	0.000	0.000
306	A	365	ILE	0	0.019	0.004	44.510	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	366	PHE	0	0.014	0.005	47.374	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	367	LYS	1	0.886	0.937	42.933	-0.010	-0.010	0.000	0.000	0.000	0.000
309	A	368	ILE	0	0.032	0.023	45.877	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	369	CYS	0	-0.033	-0.005	48.607	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	370	LEU	0	-0.021	-0.007	50.773	0.000	0.000	0.000	0.000	0.000	0.000
312	A	371	GLU	-1	-0.842	-0.909	48.861	-0.009	-0.009	0.000	0.000	0.000	0.000
313	A	372	TYR	0	0.037	0.006	51.467	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	373	TRP	0	-0.029	-0.044	54.069	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	374	ASN	0	0.010	0.006	53.901	0.000	0.000	0.000	0.000	0.000	0.000
316	A	375	HIS	0	-0.041	-0.012	54.602	0.000	0.000	0.000	0.000	0.000	0.000
317	A	376	LEU	0	-0.004	0.002	56.396	0.000	0.000	0.000	0.000	0.000	0.000
318	A	377	ALA	0	-0.024	-0.021	59.312	0.000	0.000	0.000	0.000	0.000	0.000
319	A	378	ALA	0	0.031	0.011	58.194	0.000	0.000	0.000	0.000	0.000	0.000
320	A	379	GLU	-1	-0.804	-0.862	59.247	-0.009	-0.009	0.000	0.000	0.000	0.000
321	A	380	LEU	0	-0.011	-0.003	61.657	0.000	0.000	0.000	0.000	0.000	0.000
322	A	381	TYR	0	-0.005	-0.017	63.071	0.000	0.000	0.000	0.000	0.000	0.000
323	A	382	ARG	1	0.863	0.904	57.581	0.007	0.007	0.000	0.000	0.000	0.000
324	A	383	GLU	-1	-0.868	-0.936	64.661	-0.006	-0.006	0.000	0.000	0.000	0.000
325	A	384	SER	0	-0.046	0.000	67.359	0.000	0.000	0.000	0.000	0.000	0.000
326	A	385	PRO	0	-0.031	0.007	67.690	0.000	0.000	0.000	0.000	0.000	0.000
327	A	386	PHE	0	0.025	-0.004	69.183	0.001	0.001	0.000	0.000	0.000	0.000
328	A	387	SER	0	0.012	0.017	71.646	0.000	0.000	0.000	0.000	0.000	0.000
329	A	402	VAL	0	-0.034	-0.029	73.742	0.000	0.000	0.000	0.000	0.000	0.000
330	A	403	PRO	0	0.020	0.027	71.409	0.000	0.000	0.000	0.000	0.000	0.000
331	A	404	PRO	0	0.021	-0.001	71.144	0.000	0.000	0.000	0.000	0.000	0.000
332	A	405	ARG	1	0.793	0.836	61.649	0.008	0.008	0.000	0.000	0.000	0.000
333	A	406	ARG	1	0.851	0.914	68.118	0.002	0.002	0.000	0.000	0.000	0.000
334	A	407	GLN	0	-0.043	-0.017	69.340	0.001	0.001	0.000	0.000	0.000	0.000
335	A	408	LEU	0	-0.061	-0.023	67.231	0.000	0.000	0.000	0.000	0.000	0.000
336	A	409	TYR	0	0.040	-0.019	62.914	0.000	0.000	0.000	0.000	0.000	0.000
337	A	410	LEU	0	-0.034	-0.003	67.561	0.001	0.001	0.000	0.000	0.000	0.000
338	A	411	PRO	0	-0.033	-0.020	69.283	0.001	0.001	0.000	0.000	0.000	0.000
339	A	412	MET	0	-0.018	-0.002	62.299	0.000	0.000	0.000	0.000	0.000	0.000
340	A	413	LEU	0	0.050	0.023	64.708	0.001	0.001	0.000	0.000	0.000	0.000
341	A	414	PHE	0	0.010	0.014	65.273	0.001	0.001	0.000	0.000	0.000	0.000
342	A	415	LYS	1	0.963	0.981	63.742	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	416	VAL	0	0.027	0.023	59.755	0.001	0.001	0.000	0.000	0.000	0.000
344	A	417	ARG	1	0.825	0.902	61.528	-0.001	-0.001	0.000	0.000	0.000	0.000
345	A	418	LEU	0	-0.001	-0.002	63.291	0.001	0.001	0.000	0.000	0.000	0.000
346	A	419	LEU	0	-0.015	0.029	56.431	0.001	0.001	0.000	0.000	0.000	0.000
347	A	420	MET	0	-0.047	-0.013	56.150	0.001	0.001	0.000	0.000	0.000	0.000
348	A	421	VAL	0	0.000	-0.010	59.180	0.001	0.001	0.000	0.000	0.000	0.000
349	A	422	SER	0	-0.097	-0.070	60.824	0.001	0.001	0.000	0.000	0.000	0.000
350	A	423	ARG	1	0.815	0.899	51.976	-0.008	-0.008	0.000	0.000	0.000	0.000
351	A	424	MET	0	-0.069	-0.002	55.167	0.000	0.000	0.000	0.000	0.000	0.000
352	A	425	ALA	0	0.037	0.007	51.490	0.001	0.001	0.000	0.000	0.000	0.000
353	A	426	LYS	1	0.824	0.881	51.197	-0.021	-0.021	0.000	0.000	0.000	0.000
354	A	427	PRO	0	-0.027	-0.014	52.333	0.000	0.000	0.000	0.000	0.000	0.000
355	A	428	GLU	-1	-0.851	-0.920	50.682	0.013	0.013	0.000	0.000	0.000	0.000
356	A	429	GLU	-1	-0.836	-0.882	51.714	0.021	0.021	0.000	0.000	0.000	0.000
357	A	447	ASP	-1	-0.895	-0.966	41.565	0.024	0.024	0.000	0.000	0.000	0.000
358	A	448	THR	0	0.045	0.015	41.484	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	449	ASP	-1	-0.866	-0.929	40.763	0.009	0.009	0.000	0.000	0.000	0.000
360	A	450	SER	0	-0.022	-0.012	43.870	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	451	ILE	0	0.044	0.033	46.708	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	452	ASN	0	0.018	0.011	44.715	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	453	LEU	0	-0.036	-0.013	47.762	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	454	TYR	0	0.040	0.011	49.470	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	455	LYS	1	0.857	0.915	49.956	-0.011	-0.011	0.000	0.000	0.000	0.000
366	A	456	ASN	0	0.005	-0.004	48.948	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	457	MET	0	-0.022	0.000	53.143	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	458	ARG	1	0.900	0.953	55.462	-0.007	-0.007	0.000	0.000	0.000	0.000
369	A	459	GLU	-1	-0.754	-0.845	54.715	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	460	THR	0	0.030	-0.014	56.558	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	461	LEU	0	-0.014	-0.004	58.705	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	462	VAL	0	0.022	0.016	60.876	0.000	0.000	0.000	0.000	0.000	0.000
373	A	463	TYR	0	-0.032	-0.022	57.453	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	464	LEU	0	-0.001	-0.007	61.549	0.000	0.000	0.000	0.000	0.000	0.000
375	A	465	THR	0	-0.030	-0.030	64.805	0.000	0.000	0.000	0.000	0.000	0.000
376	A	466	HIS	0	-0.035	-0.021	65.396	0.000	0.000	0.000	0.000	0.000	0.000
377	A	467	LEU	0	-0.070	-0.028	65.247	0.000	0.000	0.000	0.000	0.000	0.000
378	A	468	ASP	-1	-0.886	-0.966	69.109	0.001	0.001	0.000	0.000	0.000	0.000
379	A	469	TYR	0	0.001	-0.011	70.563	0.000	0.000	0.000	0.000	0.000	0.000
380	A	470	VAL	0	0.020	0.016	71.636	0.001	0.001	0.000	0.000	0.000	0.000
381	A	471	ASP	-1	-0.762	-0.878	69.921	0.003	0.003	0.000	0.000	0.000	0.000
382	A	472	THR	0	-0.004	-0.006	66.637	0.000	0.000	0.000	0.000	0.000	0.000
383	A	473	GLU	-1	-0.798	-0.878	69.296	0.005	0.005	0.000	0.000	0.000	0.000
384	A	474	ARG	1	0.779	0.912	70.746	-0.003	-0.003	0.000	0.000	0.000	0.000
385	A	475	ILE	0	-0.005	-0.013	66.398	0.000	0.000	0.000	0.000	0.000	0.000
386	A	476	MET	0	-0.014	-0.003	64.778	0.001	0.001	0.000	0.000	0.000	0.000
387	A	477	THR	0	-0.008	-0.026	69.028	0.001	0.001	0.000	0.000	0.000	0.000
388	A	478	GLU	-1	-0.905	-0.938	71.123	0.005	0.005	0.000	0.000	0.000	0.000
389	A	479	LYS	1	0.855	0.905	64.091	-0.008	-0.008	0.000	0.000	0.000	0.000
390	A	480	LEU	0	-0.015	0.002	68.450	0.001	0.001	0.000	0.000	0.000	0.000
391	A	481	HIS	0	0.068	0.037	70.294	0.001	0.001	0.000	0.000	0.000	0.000
392	A	482	ASN	0	0.024	0.003	68.697	0.000	0.000	0.000	0.000	0.000	0.000
393	A	483	GLN	0	-0.035	-0.022	65.472	0.001	0.001	0.000	0.000	0.000	0.000
394	A	484	VAL	0	0.006	-0.016	69.438	0.001	0.001	0.000	0.000	0.000	0.000
395	A	485	ASN	0	-0.068	-0.038	72.343	0.000	0.000	0.000	0.000	0.000	0.000
396	A	486	GLY	0	-0.039	-0.013	70.165	0.000	0.000	0.000	0.000	0.000	0.000
397	A	487	THR	0	-0.015	-0.018	69.256	0.001	0.001	0.000	0.000	0.000	0.000
398	A	488	GLU	-1	-0.787	-0.871	65.220	0.009	0.009	0.000	0.000	0.000	0.000
399	A	489	TRP	0	-0.011	0.014	65.003	0.000	0.000	0.000	0.000	0.000	0.000
400	A	490	SER	0	0.027	0.007	61.343	0.001	0.001	0.000	0.000	0.000	0.000
401	A	491	TRP	0	0.017	0.006	59.257	0.000	0.000	0.000	0.000	0.000	0.000
402	A	492	LYS	1	1.018	1.022	53.942	-0.017	-0.017	0.000	0.000	0.000	0.000
403	A	493	ASN	0	-0.026	-0.025	58.810	0.000	0.000	0.000	0.000	0.000	0.000
404	A	494	LEU	0	0.032	0.024	61.484	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	495	ASN	0	0.052	0.027	57.819	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	496	THR	0	-0.047	-0.011	57.911	0.000	0.000	0.000	0.000	0.000	0.000
407	A	497	LEU	0	0.004	0.019	59.601	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	498	CYS	0	-0.018	-0.012	62.856	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	499	TRP	0	0.025	0.008	54.896	0.000	0.000	0.000	0.000	0.000	0.000
410	A	500	ALA	0	0.021	0.020	60.314	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	501	ILE	0	0.017	0.001	61.624	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	502	GLY	0	-0.036	-0.008	62.627	0.000	0.000	0.000	0.000	0.000	0.000
413	A	503	SER	0	-0.124	-0.080	59.490	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	504	ILE	0	0.049	0.014	61.177	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	505	SER	0	-0.058	-0.073	63.964	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	506	GLY	0	0.010	0.007	65.094	0.000	0.000	0.000	0.000	0.000	0.000
417	A	507	ALA	0	-0.043	-0.017	65.647	0.000	0.000	0.000	0.000	0.000	0.000
418	A	508	MET	0	-0.006	0.023	67.583	0.000	0.000	0.000	0.000	0.000	0.000
419	A	509	HIS	0	0.008	0.003	71.214	0.000	0.000	0.000	0.000	0.000	0.000
420	A	510	GLU	-1	-0.853	-0.924	74.206	0.005	0.005	0.000	0.000	0.000	0.000
421	A	511	GLU	-1	-0.796	-0.888	75.476	0.005	0.005	0.000	0.000	0.000	0.000
422	A	512	ASP	-1	-0.778	-0.857	75.036	0.003	0.003	0.000	0.000	0.000	0.000
423	A	513	GLU	-1	-0.800	-0.912	70.914	0.006	0.006	0.000	0.000	0.000	0.000
424	A	514	LYS	1	0.808	0.878	73.870	-0.005	-0.005	0.000	0.000	0.000	0.000
425	A	515	ARG	1	0.711	0.833	76.569	-0.004	-0.004	0.000	0.000	0.000	0.000
426	A	516	PHE	0	0.052	0.021	69.095	0.000	0.000	0.000	0.000	0.000	0.000
427	A	517	LEU	0	0.007	0.013	69.993	0.001	0.001	0.000	0.000	0.000	0.000
428	A	518	VAL	0	-0.041	-0.015	73.634	0.001	0.001	0.000	0.000	0.000	0.000
429	A	519	THR	0	-0.012	-0.010	76.080	0.000	0.000	0.000	0.000	0.000	0.000
430	A	520	VAL	0	0.074	0.038	69.700	0.001	0.001	0.000	0.000	0.000	0.000
431	A	521	ILE	0	-0.024	-0.028	70.893	0.001	0.001	0.000	0.000	0.000	0.000
432	A	522	LYS	1	0.931	0.968	73.665	-0.007	-0.007	0.000	0.000	0.000	0.000
433	A	523	ASP	-1	-0.856	-0.917	74.261	0.009	0.009	0.000	0.000	0.000	0.000
434	A	524	LEU	0	-0.013	-0.001	68.675	0.001	0.001	0.000	0.000	0.000	0.000
435	A	525	LEU	0	-0.037	-0.030	72.313	0.001	0.001	0.000	0.000	0.000	0.000
436	A	526	GLY	0	0.011	0.006	74.701	0.000	0.000	0.000	0.000	0.000	0.000
437	A	527	LEU	0	-0.030	-0.012	69.111	0.000	0.000	0.000	0.000	0.000	0.000
438	A	528	CYS	0	-0.010	-0.015	71.768	0.001	0.001	0.000	0.000	0.000	0.000
439	A	529	GLU	-1	-0.892	-0.936	72.685	0.014	0.014	0.000	0.000	0.000	0.000
440	A	530	GLN	0	-0.067	-0.008	74.092	0.000	0.000	0.000	0.000	0.000	0.000
441	A	531	LYS	1	0.812	0.917	69.859	-0.013	-0.013	0.000	0.000	0.000	0.000
442	A	532	ARG	1	0.981	0.973	72.023	-0.014	-0.014	0.000	0.000	0.000	0.000
443	A	533	GLY	0	-0.035	-0.011	68.328	0.000	0.000	0.000	0.000	0.000	0.000
444	A	534	LYS	1	0.911	0.931	67.869	-0.021	-0.021	0.000	0.000	0.000	0.000
445	A	535	ASP	-1	-0.835	-0.908	63.435	0.022	0.022	0.000	0.000	0.000	0.000
446	A	536	ASN	0	-0.041	-0.019	65.030	0.000	0.000	0.000	0.000	0.000	0.000
447	A	537	LYS	1	0.892	0.926	66.814	-0.015	-0.015	0.000	0.000	0.000	0.000
448	A	538	ALA	0	0.047	0.043	64.311	0.000	0.000	0.000	0.000	0.000	0.000
449	A	539	ILE	0	0.002	0.011	60.474	0.000	0.000	0.000	0.000	0.000	0.000
450	A	540	ILE	0	-0.003	-0.002	63.927	0.000	0.000	0.000	0.000	0.000	0.000
451	A	541	ALA	0	0.027	0.020	66.991	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	542	SER	0	0.024	-0.012	62.292	0.000	0.000	0.000	0.000	0.000	0.000
453	A	543	ASN	0	-0.030	-0.032	62.290	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	544	ILE	0	-0.025	-0.012	64.633	-0.001	-0.001	0.000	0.000	0.000	0.000
455	A	545	MET	0	-0.017	-0.010	65.670	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	546	TYR	0	0.003	0.001	59.061	0.000	0.000	0.000	0.000	0.000	0.000
457	A	547	ILE	0	-0.001	-0.001	63.759	-0.001	-0.001	0.000	0.000	0.000	0.000
458	A	548	VAL	0	0.021	0.018	66.034	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	549	GLY	0	0.016	0.012	64.894	0.000	0.000	0.000	0.000	0.000	0.000
460	A	550	GLN	0	-0.054	-0.035	60.305	0.001	0.001	0.000	0.000	0.000	0.000
461	A	551	TYR	0	0.011	0.044	64.682	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	552	PRO	0	0.003	-0.017	66.392	0.000	0.000	0.000	0.000	0.000	0.000
463	A	553	ARG	1	0.759	0.871	69.335	-0.005	-0.005	0.000	0.000	0.000	0.000
464	A	554	PHE	0	0.095	0.049	71.593	0.000	0.000	0.000	0.000	0.000	0.000
465	A	555	LEU	0	-0.015	-0.009	69.775	0.000	0.000	0.000	0.000	0.000	0.000
466	A	556	ARG	1	0.837	0.900	67.736	-0.008	-0.008	0.000	0.000	0.000	0.000
467	A	557	ALA	0	-0.010	0.012	74.750	0.000	0.000	0.000	0.000	0.000	0.000
468	A	558	HIS	0	-0.064	-0.027	76.956	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	559	TRP	0	0.061	0.008	76.350	0.000	0.000	0.000	0.000	0.000	0.000
470	A	560	LYS	1	1.001	0.995	78.670	-0.008	-0.008	0.000	0.000	0.000	0.000
471	A	561	PHE	0	0.007	0.021	73.442	0.000	0.000	0.000	0.000	0.000	0.000
472	A	562	LEU	0	0.070	0.043	72.436	0.001	0.001	0.000	0.000	0.000	0.000
473	A	563	LYS	1	0.803	0.904	74.622	-0.010	-0.010	0.000	0.000	0.000	0.000
474	A	564	THR	0	-0.069	-0.056	76.607	0.000	0.000	0.000	0.000	0.000	0.000
475	A	565	VAL	0	-0.032	-0.016	71.043	0.001	0.001	0.000	0.000	0.000	0.000
476	A	566	VAL	0	-0.017	-0.018	71.244	0.001	0.001	0.000	0.000	0.000	0.000
477	A	567	ASN	0	0.044	0.012	72.646	0.001	0.001	0.000	0.000	0.000	0.000
478	A	568	LYS	1	0.814	0.905	72.502	-0.013	-0.013	0.000	0.000	0.000	0.000
479	A	569	LEU	0	-0.012	-0.001	67.154	0.001	0.001	0.000	0.000	0.000	0.000
480	A	570	PHE	0	0.053	0.000	69.427	0.001	0.001	0.000	0.000	0.000	0.000
481	A	571	GLU	-1	-0.875	-0.919	71.684	0.015	0.015	0.000	0.000	0.000	0.000
482	A	572	PHE	0	-0.013	-0.019	68.003	0.000	0.000	0.000	0.000	0.000	0.000
483	A	573	MET	0	-0.019	0.012	66.417	0.001	0.001	0.000	0.000	0.000	0.000
484	A	574	HIS	1	0.803	0.887	67.993	-0.018	-0.018	0.000	0.000	0.000	0.000
485	A	575	GLU	-1	-0.830	-0.892	67.405	0.020	0.020	0.000	0.000	0.000	0.000
486	A	576	THR	0	0.027	0.010	65.717	0.000	0.000	0.000	0.000	0.000	0.000
487	A	577	HIS	0	-0.072	-0.043	63.660	0.001	0.001	0.000	0.000	0.000	0.000
488	A	578	ASP	-1	-0.938	-0.977	58.334	0.027	0.027	0.000	0.000	0.000	0.000
489	A	579	GLY	0	0.119	0.070	59.639	0.001	0.001	0.000	0.000	0.000	0.000
490	A	580	VAL	0	-0.082	-0.047	60.473	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	581	GLN	0	0.018	0.004	62.940	0.000	0.000	0.000	0.000	0.000	0.000
492	A	582	ASP	-1	-0.804	-0.881	57.780	0.025	0.025	0.000	0.000	0.000	0.000
493	A	583	MET	0	-0.062	0.000	60.570	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	584	ALA	0	0.010	0.019	61.934	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	585	CYS	0	-0.015	-0.011	61.656	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	586	ASP	-1	-0.892	-0.949	57.820	0.021	0.021	0.000	0.000	0.000	0.000
497	A	587	THR	0	-0.078	-0.065	61.053	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	588	PHE	0	-0.003	-0.002	64.094	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	589	ILE	0	0.040	0.012	59.923	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	590	LYS	1	0.850	0.934	59.618	-0.016	-0.016	0.000	0.000	0.000	0.000
501	A	591	ILE	0	0.011	0.002	63.493	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	592	ALA	0	0.033	0.023	66.226	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	593	GLN	0	-0.035	-0.016	59.884	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	594	LYS	1	0.863	0.940	62.022	-0.012	-0.012	0.000	0.000	0.000	0.000
505	A	595	CYS	0	0.003	0.000	66.826	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	596	ARG	1	0.938	0.989	63.323	-0.011	-0.011	0.000	0.000	0.000	0.000
507	A	597	ARG	1	0.998	0.978	70.024	-0.007	-0.007	0.000	0.000	0.000	0.000
508	A	598	HIS	0	-0.013	-0.007	73.772	0.000	0.000	0.000	0.000	0.000	0.000
509	A	599	PHE	0	-0.016	0.009	70.994	0.000	0.000	0.000	0.000	0.000	0.000
510	A	600	VAL	0	-0.046	-0.029	74.000	0.000	0.000	0.000	0.000	0.000	0.000
511	A	601	GLN	0	0.060	-0.036	75.976	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	602	VAL	0	-0.041	0.010	78.050	0.000	0.000	0.000	0.000	0.000	0.000
513	A	603	GLN	0	-0.022	0.010	80.378	0.000	0.000	0.000	0.000	0.000	0.000
514	A	604	VAL	0	0.053	0.021	79.810	0.000	0.000	0.000	0.000	0.000	0.000
515	A	605	GLY	0	-0.051	-0.021	83.047	0.000	0.000	0.000	0.000	0.000	0.000
516	A	606	GLU	-1	-0.884	-0.934	83.336	0.009	0.009	0.000	0.000	0.000	0.000
517	A	607	VAL	0	0.012	0.007	86.795	0.000	0.000	0.000	0.000	0.000	0.000
518	A	608	MET	0	0.020	0.011	83.344	0.000	0.000	0.000	0.000	0.000	0.000
519	A	609	PRO	0	0.011	0.042	79.198	0.000	0.000	0.000	0.000	0.000	0.000
520	A	610	PHE	0	0.043	0.011	74.992	0.000	0.000	0.000	0.000	0.000	0.000
521	A	611	ILE	0	-0.006	-0.003	72.892	0.000	0.000	0.000	0.000	0.000	0.000
522	A	612	ASP	-1	-0.802	-0.901	76.268	0.012	0.012	0.000	0.000	0.000	0.000
523	A	613	GLU	-1	-0.890	-0.933	78.746	0.012	0.012	0.000	0.000	0.000	0.000
524	A	614	ILE	0	-0.025	-0.003	72.287	0.001	0.001	0.000	0.000	0.000	0.000
525	A	615	LEU	0	-0.002	-0.010	72.458	0.001	0.001	0.000	0.000	0.000	0.000
526	A	616	ASN	0	-0.001	0.014	75.397	0.000	0.000	0.000	0.000	0.000	0.000
527	A	617	ASN	0	-0.059	-0.029	76.491	0.000	0.000	0.000	0.000	0.000	0.000
528	A	618	ILE	0	0.053	0.031	69.539	0.000	0.000	0.000	0.000	0.000	0.000
529	A	619	ASN	0	0.017	0.007	71.807	0.001	0.001	0.000	0.000	0.000	0.000
530	A	620	THR	0	0.014	-0.004	72.520	0.001	0.001	0.000	0.000	0.000	0.000
531	A	621	ILE	0	-0.047	-0.020	70.067	0.000	0.000	0.000	0.000	0.000	0.000
532	A	622	ILE	0	-0.009	-0.024	67.196	0.000	0.000	0.000	0.000	0.000	0.000
533	A	623	CYS	0	-0.061	-0.006	67.673	0.001	0.001	0.000	0.000	0.000	0.000
534	A	624	ASP	-1	-0.839	-0.894	67.825	0.021	0.021	0.000	0.000	0.000	0.000
535	A	625	LEU	0	-0.038	-0.002	63.829	0.001	0.001	0.000	0.000	0.000	0.000
536	A	626	GLN	0	0.019	0.005	56.866	0.000	0.000	0.000	0.000	0.000	0.000
537	A	627	PRO	0	0.017	-0.012	58.082	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	628	GLN	0	0.015	0.004	54.498	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	629	GLN	0	0.042	-0.002	57.756	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	630	VAL	0	0.047	0.035	60.933	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	631	HIS	0	-0.011	-0.009	57.851	-0.002	-0.002	0.000	0.000	0.000	0.000
542	A	632	THR	0	0.032	0.015	58.812	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	633	PHE	0	0.036	0.031	61.097	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	634	TYR	0	0.046	0.003	63.673	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	635	GLU	-1	-0.793	-0.826	58.546	0.018	0.018	0.000	0.000	0.000	0.000
546	A	636	ALA	0	-0.029	-0.011	62.941	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	637	VAL	0	0.032	-0.002	65.139	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	638	GLY	0	0.059	0.033	65.858	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	639	TYR	0	-0.076	-0.067	60.013	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	640	MET	0	-0.071	-0.024	66.803	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	641	ILE	0	0.058	0.028	70.017	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	642	GLY	0	0.025	0.020	68.418	0.000	0.000	0.000	0.000	0.000	0.000
553	A	643	ALA	0	-0.118	-0.058	69.432	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	644	GLN	0	-0.033	-0.011	71.865	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	645	THR	0	0.005	-0.002	74.525	0.000	0.000	0.000	0.000	0.000	0.000
556	A	646	ASP	-1	-0.837	-0.900	75.952	0.008	0.008	0.000	0.000	0.000	0.000
557	A	647	GLN	0	0.013	-0.020	75.058	0.000	0.000	0.000	0.000	0.000	0.000
558	A	648	THR	0	0.001	0.005	76.967	0.000	0.000	0.000	0.000	0.000	0.000
559	A	649	VAL	0	-0.020	-0.015	78.957	0.000	0.000	0.000	0.000	0.000	0.000
560	A	650	GLN	0	-0.049	-0.042	71.680	0.000	0.000	0.000	0.000	0.000	0.000
561	A	651	GLU	-1	-0.845	-0.915	74.631	0.011	0.011	0.000	0.000	0.000	0.000
562	A	652	HIS	0	-0.004	-0.006	75.661	0.001	0.001	0.000	0.000	0.000	0.000
563	A	653	LEU	0	-0.076	-0.030	74.355	0.000	0.000	0.000	0.000	0.000	0.000
564	A	654	ILE	0	-0.020	-0.019	70.157	0.001	0.001	0.000	0.000	0.000	0.000
565	A	655	GLU	-1	-0.912	-0.950	72.218	0.014	0.014	0.000	0.000	0.000	0.000
566	A	656	LYS	1	0.828	0.898	74.084	-0.012	-0.012	0.000	0.000	0.000	0.000
567	A	657	TYR	0	-0.065	-0.066	66.022	0.001	0.001	0.000	0.000	0.000	0.000
568	A	658	MET	0	-0.021	-0.005	66.839	0.001	0.001	0.000	0.000	0.000	0.000
569	A	659	LEU	0	0.005	0.008	70.391	0.001	0.001	0.000	0.000	0.000	0.000
570	A	660	LEU	0	0.013	0.000	70.181	0.000	0.000	0.000	0.000	0.000	0.000
571	A	661	PRO	0	0.010	0.006	66.186	0.001	0.001	0.000	0.000	0.000	0.000
572	A	662	ASN	0	0.029	0.000	68.110	0.001	0.001	0.000	0.000	0.000	0.000
573	A	663	GLN	0	0.034	0.036	70.302	0.000	0.000	0.000	0.000	0.000	0.000
574	A	664	VAL	0	0.001	0.009	66.799	0.000	0.000	0.000	0.000	0.000	0.000
575	A	665	TRP	0	0.009	0.002	62.692	0.001	0.001	0.000	0.000	0.000	0.000
576	A	666	ASP	-1	-0.735	-0.852	68.098	0.018	0.018	0.000	0.000	0.000	0.000
577	A	667	SER	0	-0.040	-0.003	70.875	0.000	0.000	0.000	0.000	0.000	0.000
578	A	668	ILE	0	-0.035	-0.022	64.974	0.000	0.000	0.000	0.000	0.000	0.000
579	A	669	ILE	0	0.014	0.014	66.187	0.001	0.001	0.000	0.000	0.000	0.000
580	A	670	GLN	0	0.007	0.010	69.285	0.000	0.000	0.000	0.000	0.000	0.000
581	A	671	GLN	0	-0.050	-0.031	69.364	0.000	0.000	0.000	0.000	0.000	0.000
582	A	672	ALA	0	0.005	-0.003	66.941	0.000	0.000	0.000	0.000	0.000	0.000
583	A	673	THR	0	-0.043	-0.024	68.639	0.000	0.000	0.000	0.000	0.000	0.000
584	A	674	LYS	1	0.901	0.953	71.555	-0.020	-0.020	0.000	0.000	0.000	0.000
585	A	675	ASN	0	-0.029	-0.023	68.960	0.000	0.000	0.000	0.000	0.000	0.000
586	A	676	VAL	0	0.124	0.063	64.536	0.001	0.001	0.000	0.000	0.000	0.000
587	A	677	ASP	-1	-0.830	-0.904	64.361	0.030	0.030	0.000	0.000	0.000	0.000
588	A	678	ILE	0	-0.055	-0.006	64.037	0.001	0.001	0.000	0.000	0.000	0.000
589	A	679	LEU	0	-0.001	-0.005	61.675	0.001	0.001	0.000	0.000	0.000	0.000
590	A	680	LYS	1	0.816	0.891	59.621	-0.030	-0.030	0.000	0.000	0.000	0.000
591	A	681	ASP	-1	-0.826	-0.896	59.779	0.032	0.032	0.000	0.000	0.000	0.000
592	A	682	PRO	0	-0.016	-0.017	57.684	0.000	0.000	0.000	0.000	0.000	0.000
593	A	683	GLU	-1	-0.781	-0.879	58.957	0.035	0.035	0.000	0.000	0.000	0.000
594	A	684	THR	0	-0.023	-0.016	61.356	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	685	VAL	0	-0.022	-0.011	56.528	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	686	LYS	1	0.761	0.865	56.389	-0.035	-0.035	0.000	0.000	0.000	0.000
597	A	687	GLN	0	-0.003	-0.008	58.524	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	688	LEU	0	0.044	0.034	60.276	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	689	GLY	0	0.024	0.018	57.213	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	690	SER	0	-0.044	-0.032	57.905	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	691	ILE	0	0.049	0.033	59.637	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	692	LEU	0	0.020	0.019	58.147	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	693	LYS	1	0.821	0.906	52.639	-0.034	-0.034	0.000	0.000	0.000	0.000
604	A	694	THR	0	0.023	0.006	58.314	0.000	0.000	0.000	0.000	0.000	0.000
605	A	695	ASN	0	-0.014	-0.003	61.652	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	696	VAL	0	-0.025	-0.016	55.684	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	697	ARG	1	0.822	0.896	57.055	-0.024	-0.024	0.000	0.000	0.000	0.000
608	A	698	ALA	0	0.057	0.023	59.894	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	699	CYS	0	-0.014	0.016	60.958	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	700	LYS	1	0.835	0.908	56.116	-0.020	-0.020	0.000	0.000	0.000	0.000
611	A	701	ALA	0	-0.061	-0.025	60.103	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	702	VAL	0	-0.049	-0.020	62.862	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	703	GLY	0	0.002	-0.008	63.107	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	704	HIS	0	0.087	0.045	64.125	0.001	0.001	0.000	0.000	0.000	0.000
615	A	705	PRO	0	0.093	0.039	66.216	0.000	0.000	0.000	0.000	0.000	0.000
616	A	706	PHE	0	-0.027	-0.014	64.255	0.000	0.000	0.000	0.000	0.000	0.000
617	A	707	VAL	0	0.031	0.017	67.250	0.001	0.001	0.000	0.000	0.000	0.000
618	A	708	ILE	0	0.027	0.025	68.179	0.001	0.001	0.000	0.000	0.000	0.000
619	A	709	GLN	0	-0.003	-0.004	66.746	0.000	0.000	0.000	0.000	0.000	0.000
620	A	710	LEU	0	-0.039	-0.027	62.698	0.001	0.001	0.000	0.000	0.000	0.000
621	A	711	GLY	0	-0.005	-0.024	66.341	0.001	0.001	0.000	0.000	0.000	0.000
622	A	712	ARG	1	0.758	0.860	69.011	-0.017	-0.017	0.000	0.000	0.000	0.000
623	A	713	ILE	0	0.003	0.000	64.439	0.000	0.000	0.000	0.000	0.000	0.000
624	A	714	TYR	0	-0.032	-0.015	62.045	0.001	0.001	0.000	0.000	0.000	0.000
625	A	715	LEU	0	0.057	0.009	64.684	0.001	0.001	0.000	0.000	0.000	0.000
626	A	716	ASP	-1	-0.834	-0.912	65.753	0.020	0.020	0.000	0.000	0.000	0.000
627	A	717	MET	0	-0.086	-0.023	59.932	0.001	0.001	0.000	0.000	0.000	0.000
628	A	718	LEU	0	-0.004	-0.005	60.081	0.001	0.001	0.000	0.000	0.000	0.000
629	A	719	ASN	0	-0.006	-0.005	61.320	0.001	0.001	0.000	0.000	0.000	0.000
630	A	720	VAL	0	-0.029	-0.013	60.364	0.001	0.001	0.000	0.000	0.000	0.000
631	A	721	TYR	0	-0.036	-0.021	53.346	0.002	0.002	0.000	0.000	0.000	0.000
632	A	722	LYS	1	0.915	0.946	57.642	-0.020	-0.020	0.000	0.000	0.000	0.000
633	A	723	CYS	0	0.019	0.017	58.616	0.001	0.001	0.000	0.000	0.000	0.000
634	A	724	LEU	0	-0.021	-0.017	56.415	0.002	0.002	0.000	0.000	0.000	0.000
635	A	725	SER	0	0.006	-0.035	54.200	0.002	0.002	0.000	0.000	0.000	0.000
636	A	726	GLU	-1	-0.957	-0.968	54.516	0.029	0.029	0.000	0.000	0.000	0.000
637	A	727	ASN	0	-0.033	-0.020	56.321	0.001	0.001	0.000	0.000	0.000	0.000
638	A	728	ILE	0	-0.053	-0.034	50.323	0.002	0.002	0.000	0.000	0.000	0.000
639	A	729	SER	0	0.024	0.006	50.959	0.002	0.002	0.000	0.000	0.000	0.000
640	A	730	ALA	0	0.023	0.015	51.446	0.002	0.002	0.000	0.000	0.000	0.000
641	A	731	ALA	0	-0.014	-0.002	51.998	0.001	0.001	0.000	0.000	0.000	0.000
642	A	732	ILE	0	-0.012	-0.010	46.316	0.002	0.002	0.000	0.000	0.000	0.000
643	A	733	GLN	0	-0.006	-0.004	48.062	0.001	0.001	0.000	0.000	0.000	0.000
644	A	734	ALA	0	0.008	0.013	50.299	0.000	0.000	0.000	0.000	0.000	0.000
645	A	735	ASN	0	-0.116	-0.070	47.885	0.001	0.001	0.000	0.000	0.000	0.000
646	A	736	GLY	0	0.018	0.023	44.752	0.003	0.003	0.000	0.000	0.000	0.000
647	A	737	GLU	-1	-0.852	-0.946	40.365	0.064	0.064	0.000	0.000	0.000	0.000
648	A	738	MET	0	-0.002	0.021	42.244	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	739	VAL	0	0.019	-0.006	43.343	0.000	0.000	0.000	0.000	0.000	0.000
650	A	740	THR	0	-0.003	-0.010	43.577	-0.003	-0.003	0.000	0.000	0.000	0.000
651	A	741	LYS	1	0.895	0.953	41.351	-0.074	-0.074	0.000	0.000	0.000	0.000
652	A	742	GLN	0	0.031	0.007	44.496	-0.002	-0.002	0.000	0.000	0.000	0.000
653	A	743	PRO	0	0.023	-0.003	48.163	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	744	LEU	0	0.040	0.023	50.333	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	745	ILE	0	0.051	0.033	48.939	-0.002	-0.002	0.000	0.000	0.000	0.000
656	A	746	ARG	1	0.883	0.947	42.693	-0.061	-0.061	0.000	0.000	0.000	0.000
657	A	747	SER	0	-0.010	-0.003	49.569	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	748	MET	0	0.030	0.022	53.184	-0.002	-0.002	0.000	0.000	0.000	0.000
659	A	749	ARG	1	0.827	0.869	44.811	-0.048	-0.048	0.000	0.000	0.000	0.000
660	A	750	THR	0	-0.062	-0.030	51.235	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	751	VAL	0	0.020	0.026	52.483	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	752	LYS	1	0.879	0.967	51.315	-0.036	-0.036	0.000	0.000	0.000	0.000
663	A	753	ARG	1	0.928	0.978	47.881	-0.042	-0.042	0.000	0.000	0.000	0.000
664	A	754	GLU	-1	-0.801	-0.900	52.173	0.029	0.029	0.000	0.000	0.000	0.000
665	A	755	THR	0	0.004	-0.017	55.048	-0.002	-0.002	0.000	0.000	0.000	0.000
666	A	756	LEU	0	0.057	0.032	51.459	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	757	LYS	1	0.833	0.932	50.375	-0.032	-0.032	0.000	0.000	0.000	0.000
668	A	758	LEU	0	0.002	0.018	54.385	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	759	ILE	0	0.046	0.018	57.563	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	760	SER	0	0.002	-0.009	53.948	-0.001	-0.001	0.000	0.000	0.000	0.000
671	A	761	GLY	0	-0.022	-0.002	56.011	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	762	TRP	0	-0.006	-0.018	57.447	-0.001	-0.001	0.000	0.000	0.000	0.000
673	A	763	VAL	0	0.076	0.042	58.361	-0.001	-0.001	0.000	0.000	0.000	0.000
674	A	764	SER	0	-0.021	0.000	56.001	-0.001	-0.001	0.000	0.000	0.000	0.000
675	A	765	ARG	1	0.827	0.906	56.012	-0.017	-0.017	0.000	0.000	0.000	0.000
676	A	766	SER	0	-0.088	-0.047	61.066	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	767	ASN	0	-0.027	-0.047	63.536	-0.001	-0.001	0.000	0.000	0.000	0.000
678	A	768	ASP	-1	-0.826	-0.920	65.867	0.009	0.009	0.000	0.000	0.000	0.000
679	A	769	PRO	0	0.020	0.006	63.992	0.001	0.001	0.000	0.000	0.000	0.000
680	A	770	GLN	0	0.080	0.042	65.507	0.001	0.001	0.000	0.000	0.000	0.000
681	A	771	MET	0	-0.015	0.022	68.246	0.001	0.001	0.000	0.000	0.000	0.000
682	A	772	VAL	0	-0.056	-0.039	61.748	0.001	0.001	0.000	0.000	0.000	0.000
683	A	773	ALA	0	0.021	-0.004	63.774	0.001	0.001	0.000	0.000	0.000	0.000
684	A	774	GLU	-1	-0.912	-0.962	64.807	0.010	0.010	0.000	0.000	0.000	0.000
685	A	775	ASN	0	-0.080	-0.036	66.795	0.000	0.000	0.000	0.000	0.000	0.000
686	A	776	PHE	0	-0.067	-0.036	63.229	0.001	0.001	0.000	0.000	0.000	0.000
687	A	777	VAL	0	0.039	0.033	59.990	0.001	0.001	0.000	0.000	0.000	0.000
688	A	778	PRO	0	0.079	0.038	61.208	0.001	0.001	0.000	0.000	0.000	0.000
689	A	779	PRO	0	-0.004	0.001	62.204	0.001	0.001	0.000	0.000	0.000	0.000
690	A	780	LEU	0	-0.007	-0.001	56.546	0.001	0.001	0.000	0.000	0.000	0.000
691	A	781	LEU	0	0.022	-0.002	57.171	0.001	0.001	0.000	0.000	0.000	0.000
692	A	782	ASP	-1	-0.875	-0.913	57.975	0.021	0.021	0.000	0.000	0.000	0.000
693	A	783	ALA	0	-0.057	-0.024	59.076	0.001	0.001	0.000	0.000	0.000	0.000
694	A	784	VAL	0	-0.042	-0.035	54.187	0.002	0.002	0.000	0.000	0.000	0.000
695	A	785	LEU	0	0.000	0.023	53.022	0.002	0.002	0.000	0.000	0.000	0.000
696	A	786	ILE	0	0.052	0.008	52.600	0.002	0.002	0.000	0.000	0.000	0.000
697	A	787	ASP	-1	-0.771	-0.862	52.886	0.034	0.034	0.000	0.000	0.000	0.000
698	A	788	TYR	0	0.003	-0.012	44.742	0.003	0.003	0.000	0.000	0.000	0.000
699	A	789	GLN	0	-0.010	0.012	48.413	0.002	0.002	0.000	0.000	0.000	0.000
700	A	790	ARG	1	0.912	0.948	48.367	-0.025	-0.025	0.000	0.000	0.000	0.000
701	A	791	ASN	0	-0.053	-0.006	47.942	0.003	0.003	0.000	0.000	0.000	0.000
702	A	792	VAL	0	0.002	-0.002	43.739	0.000	0.000	0.000	0.000	0.000	0.000
703	A	793	PRO	0	0.067	0.000	40.299	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	794	ALA	0	0.053	0.049	41.376	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	795	ALA	0	-0.068	-0.032	42.554	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	796	ARG	1	0.849	0.917	43.233	-0.044	-0.044	0.000	0.000	0.000	0.000
707	A	797	GLU	-1	-0.790	-0.880	45.193	0.043	0.043	0.000	0.000	0.000	0.000
708	A	798	PRO	0	0.050	0.038	43.523	-0.002	-0.002	0.000	0.000	0.000	0.000
709	A	799	GLU	-1	-0.861	-0.959	45.622	0.034	0.034	0.000	0.000	0.000	0.000
710	A	800	VAL	0	-0.007	0.006	48.878	-0.002	-0.002	0.000	0.000	0.000	0.000
711	A	801	LEU	0	0.018	0.013	44.130	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	802	SER	0	0.031	0.014	47.413	-0.001	-0.001	0.000	0.000	0.000	0.000
713	A	803	THR	0	-0.058	-0.037	48.977	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	804	MET	0	0.007	-0.001	51.830	-0.001	-0.001	0.000	0.000	0.000	0.000
715	A	805	ALA	0	0.044	0.029	48.872	-0.002	-0.002	0.000	0.000	0.000	0.000
716	A	806	ILE	0	-0.044	-0.011	50.997	-0.002	-0.002	0.000	0.000	0.000	0.000
717	A	807	ILE	0	0.018	-0.006	53.694	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	808	VAL	0	0.037	0.019	52.988	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	809	ASN	0	-0.064	-0.048	50.579	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	810	LYS	1	0.793	0.930	54.845	-0.012	-0.012	0.000	0.000	0.000	0.000
721	A	811	LEU	0	-0.014	0.003	58.331	-0.001	-0.001	0.000	0.000	0.000	0.000
722	A	812	GLY	0	0.074	0.040	57.736	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	813	GLY	0	0.016	0.009	58.780	0.001	0.001	0.000	0.000	0.000	0.000
724	A	814	HIS	0	-0.088	-0.055	61.529	0.000	0.000	0.000	0.000	0.000	0.000
725	A	815	ILE	0	0.033	0.004	56.863	0.001	0.001	0.000	0.000	0.000	0.000
726	A	816	THR	0	-0.024	-0.005	57.624	0.000	0.000	0.000	0.000	0.000	0.000
727	A	817	ALA	0	0.002	-0.003	58.369	0.000	0.000	0.000	0.000	0.000	0.000
728	A	818	GLU	-1	-0.882	-0.945	58.720	0.013	0.013	0.000	0.000	0.000	0.000
729	A	819	ILE	0	-0.053	-0.024	53.015	0.001	0.001	0.000	0.000	0.000	0.000
730	A	820	PRO	0	0.025	0.013	53.983	0.001	0.001	0.000	0.000	0.000	0.000
731	A	821	GLN	0	0.066	0.040	54.318	0.002	0.002	0.000	0.000	0.000	0.000
732	A	822	ILE	0	-0.006	-0.014	51.620	0.002	0.002	0.000	0.000	0.000	0.000
733	A	823	PHE	0	-0.018	-0.026	48.749	0.002	0.002	0.000	0.000	0.000	0.000
734	A	824	ASP	-1	-0.889	-0.938	49.736	0.019	0.019	0.000	0.000	0.000	0.000
735	A	825	ALA	0	-0.101	-0.041	50.432	0.002	0.002	0.000	0.000	0.000	0.000
736	A	826	VAL	0	0.018	-0.007	47.789	0.002	0.002	0.000	0.000	0.000	0.000
737	A	827	PHE	0	0.009	0.025	44.070	0.002	0.002	0.000	0.000	0.000	0.000
738	A	828	GLU	-1	-0.871	-0.940	43.412	0.029	0.029	0.000	0.000	0.000	0.000
739	A	829	CYS	0	-0.067	-0.032	42.636	0.002	0.002	0.000	0.000	0.000	0.000
740	A	830	THR	0	0.034	-0.002	41.951	0.004	0.004	0.000	0.000	0.000	0.000
741	A	831	LEU	0	0.020	0.032	38.360	0.002	0.002	0.000	0.000	0.000	0.000
742	A	832	ASN	0	-0.025	-0.027	37.911	0.005	0.005	0.000	0.000	0.000	0.000
743	A	833	MET	0	-0.016	0.020	36.673	0.002	0.002	0.000	0.000	0.000	0.000
744	A	834	ILE	0	0.007	0.012	35.388	0.004	0.004	0.000	0.000	0.000	0.000
745	A	835	ASN	0	0.033	0.030	33.956	0.006	0.006	0.000	0.000	0.000	0.000
746	A	836	LYS	1	0.815	0.920	31.087	-0.054	-0.054	0.000	0.000	0.000	0.000
747	A	837	ASP	-1	-0.834	-0.924	28.260	0.071	0.071	0.000	0.000	0.000	0.000
748	A	838	PHE	0	-0.060	-0.023	27.219	0.006	0.006	0.000	0.000	0.000	0.000
749	A	839	GLU	-1	-0.942	-0.980	28.755	0.077	0.077	0.000	0.000	0.000	0.000
750	A	840	GLU	-1	-0.863	-0.894	30.860	0.082	0.082	0.000	0.000	0.000	0.000
751	A	841	TYR	0	-0.079	-0.071	33.694	-0.003	-0.003	0.000	0.000	0.000	0.000
752	A	842	PRO	0	0.023	0.016	34.252	-0.007	-0.007	0.000	0.000	0.000	0.000
753	A	843	GLU	-1	-0.908	-0.958	36.709	0.048	0.048	0.000	0.000	0.000	0.000
754	A	844	HIS	0	0.028	-0.011	39.949	-0.003	-0.003	0.000	0.000	0.000	0.000
755	A	845	ARG	1	0.888	0.949	31.129	-0.057	-0.057	0.000	0.000	0.000	0.000
756	A	846	THR	0	-0.034	-0.024	38.866	-0.004	-0.004	0.000	0.000	0.000	0.000
757	A	847	ASN	0	-0.051	-0.031	40.487	-0.004	-0.004	0.000	0.000	0.000	0.000
758	A	848	PHE	0	0.015	0.010	40.876	-0.003	-0.003	0.000	0.000	0.000	0.000
759	A	849	PHE	0	0.009	-0.003	37.146	-0.003	-0.003	0.000	0.000	0.000	0.000
760	A	850	LEU	0	0.018	0.018	42.632	-0.003	-0.003	0.000	0.000	0.000	0.000
761	A	851	LEU	0	-0.034	-0.016	45.493	-0.002	-0.002	0.000	0.000	0.000	0.000
762	A	852	LEU	0	-0.009	0.004	42.868	-0.002	-0.002	0.000	0.000	0.000	0.000
763	A	853	GLN	0	0.025	0.002	44.946	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	854	ALA	0	-0.014	0.017	46.929	-0.002	-0.002	0.000	0.000	0.000	0.000
765	A	855	VAL	0	0.007	-0.012	49.874	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	856	ASN	0	-0.032	-0.024	47.430	-0.002	-0.002	0.000	0.000	0.000	0.000
767	A	857	SER	0	-0.056	-0.033	49.862	-0.002	-0.002	0.000	0.000	0.000	0.000
768	A	858	HIS	0	-0.043	-0.027	52.039	-0.002	-0.002	0.000	0.000	0.000	0.000
769	A	859	CYS	0	-0.080	-0.025	54.094	0.000	0.000	0.000	0.000	0.000	0.000
770	A	860	PHE	0	0.090	0.059	50.122	0.001	0.001	0.000	0.000	0.000	0.000
771	A	861	PRO	0	0.041	0.003	54.421	0.000	0.000	0.000	0.000	0.000	0.000
772	A	862	ALA	0	-0.008	0.005	54.375	0.000	0.000	0.000	0.000	0.000	0.000
773	A	863	PHE	0	-0.027	-0.034	48.550	0.001	0.001	0.000	0.000	0.000	0.000
774	A	864	LEU	0	-0.033	-0.001	52.732	0.000	0.000	0.000	0.000	0.000	0.000
775	A	865	ALA	0	-0.048	-0.016	55.358	0.000	0.000	0.000	0.000	0.000	0.000
776	A	866	ILE	0	-0.043	0.004	49.827	0.001	0.001	0.000	0.000	0.000	0.000
777	A	867	PRO	0	0.031	0.018	51.755	-0.001	-0.001	0.000	0.000	0.000	0.000
778	A	868	PRO	0	0.065	0.018	50.166	0.001	0.001	0.000	0.000	0.000	0.000
779	A	869	THR	0	-0.015	-0.014	47.312	0.000	0.000	0.000	0.000	0.000	0.000
780	A	870	GLN	0	0.051	0.013	46.242	0.000	0.000	0.000	0.000	0.000	0.000
781	A	871	PHE	0	0.064	0.030	46.663	0.001	0.001	0.000	0.000	0.000	0.000
782	A	872	LYS	1	0.804	0.883	39.767	-0.010	-0.010	0.000	0.000	0.000	0.000
783	A	873	LEU	0	0.010	0.007	41.723	0.000	0.000	0.000	0.000	0.000	0.000
784	A	874	VAL	0	-0.006	0.007	41.985	0.001	0.001	0.000	0.000	0.000	0.000
785	A	875	LEU	0	0.022	0.028	42.112	0.000	0.000	0.000	0.000	0.000	0.000
786	A	876	ASP	-1	-0.785	-0.873	38.185	0.012	0.012	0.000	0.000	0.000	0.000
787	A	877	SER	0	-0.085	-0.060	37.511	0.002	0.002	0.000	0.000	0.000	0.000
788	A	878	ILE	0	-0.002	-0.010	38.507	0.001	0.001	0.000	0.000	0.000	0.000
789	A	879	ILE	0	-0.032	-0.021	35.034	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	880	TRP	0	-0.051	-0.035	32.106	-0.003	-0.003	0.000	0.000	0.000	0.000
791	A	881	ALA	0	-0.029	0.002	33.537	0.001	0.001	0.000	0.000	0.000	0.000
792	A	882	PHE	0	-0.016	-0.003	34.547	0.001	0.001	0.000	0.000	0.000	0.000
793	A	883	LYS	1	0.863	0.923	30.489	0.004	0.004	0.000	0.000	0.000	0.000
794	A	884	HIS	0	-0.038	-0.005	29.167	0.006	0.006	0.000	0.000	0.000	0.000
795	A	885	THR	0	0.028	0.014	25.333	-0.002	-0.002	0.000	0.000	0.000	0.000
796	A	886	MET	0	-0.004	-0.006	28.145	-0.009	-0.009	0.000	0.000	0.000	0.000
797	A	887	ARG	1	0.880	0.924	30.737	0.001	0.001	0.000	0.000	0.000	0.000
798	A	888	ASN	0	0.019	0.016	33.183	-0.004	-0.004	0.000	0.000	0.000	0.000
799	A	889	VAL	0	0.011	0.014	33.891	-0.001	-0.001	0.000	0.000	0.000	0.000
800	A	890	ALA	0	0.047	0.031	32.750	-0.002	-0.002	0.000	0.000	0.000	0.000
801	A	891	ASP	-1	-0.845	-0.959	34.869	-0.003	-0.003	0.000	0.000	0.000	0.000
802	A	892	THR	0	-0.079	-0.030	37.855	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	893	GLY	0	0.042	0.000	38.152	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	894	LEU	0	-0.028	-0.011	35.882	-0.002	-0.002	0.000	0.000	0.000	0.000
805	A	895	GLN	0	-0.014	-0.013	39.736	-0.003	-0.003	0.000	0.000	0.000	0.000
806	A	896	ILE	0	-0.010	0.001	42.020	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	897	LEU	0	0.054	0.033	39.879	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	898	PHE	0	0.024	-0.003	43.268	-0.001	-0.001	0.000	0.000	0.000	0.000
809	A	899	THR	0	-0.024	-0.007	44.997	-0.001	-0.001	0.000	0.000	0.000	0.000
810	A	900	LEU	0	0.007	0.008	45.432	0.000	0.000	0.000	0.000	0.000	0.000
811	A	901	LEU	0	-0.047	-0.021	43.757	-0.001	-0.001	0.000	0.000	0.000	0.000
812	A	902	GLN	0	-0.038	-0.029	48.107	0.000	0.000	0.000	0.000	0.000	0.000
813	A	903	ASN	0	-0.028	-0.024	50.837	0.000	0.000	0.000	0.000	0.000	0.000
814	A	904	VAL	0	-0.013	0.006	49.573	0.000	0.000	0.000	0.000	0.000	0.000
815	A	905	ALA	0	-0.040	-0.021	52.405	0.000	0.000	0.000	0.000	0.000	0.000
816	A	906	GLN	0	-0.048	-0.012	54.174	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	907	GLU	-1	-0.926	-0.967	56.260	0.001	0.001	0.000	0.000	0.000	0.000
818	A	908	GLU	-1	-0.836	-0.914	56.958	-0.008	-0.008	0.000	0.000	0.000	0.000
819	A	909	ALA	0	-0.044	-0.028	57.435	0.000	0.000	0.000	0.000	0.000	0.000
820	A	910	ALA	0	0.018	0.000	54.858	0.000	0.000	0.000	0.000	0.000	0.000
821	A	911	ALA	0	0.020	0.029	53.344	0.000	0.000	0.000	0.000	0.000	0.000
822	A	912	GLN	0	-0.027	-0.045	52.255	-0.001	-0.001	0.000	0.000	0.000	0.000
823	A	913	SER	0	-0.018	-0.009	52.014	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	914	PHE	0	0.025	0.039	45.612	0.000	0.000	0.000	0.000	0.000	0.000
825	A	915	TYR	0	0.030	0.003	47.905	-0.001	-0.001	0.000	0.000	0.000	0.000
826	A	916	GLN	0	-0.016	-0.025	47.290	-0.002	-0.002	0.000	0.000	0.000	0.000
827	A	917	THR	0	-0.084	-0.044	45.707	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	918	TYR	0	-0.009	-0.029	42.843	0.001	0.001	0.000	0.000	0.000	0.000
829	A	919	PHE	0	-0.001	0.011	42.558	-0.001	-0.001	0.000	0.000	0.000	0.000
830	A	920	CYS	0	0.000	-0.006	40.990	-0.001	-0.001	0.000	0.000	0.000	0.000
831	A	921	ASP	-1	-0.806	-0.913	37.889	-0.012	-0.012	0.000	0.000	0.000	0.000
832	A	922	ILE	0	0.025	0.021	37.597	0.000	0.000	0.000	0.000	0.000	0.000
833	A	923	LEU	0	0.012	0.012	37.797	-0.001	-0.001	0.000	0.000	0.000	0.000
834	A	924	GLN	0	-0.078	-0.027	33.481	-0.003	-0.003	0.000	0.000	0.000	0.000
835	A	925	HIS	0	0.073	0.034	33.402	-0.003	-0.003	0.000	0.000	0.000	0.000
836	A	926	ILE	0	0.007	0.003	33.245	0.000	0.000	0.000	0.000	0.000	0.000
837	A	927	PHE	0	0.014	-0.015	33.427	-0.002	-0.002	0.000	0.000	0.000	0.000
838	A	928	SER	0	-0.027	0.005	29.033	-0.002	-0.002	0.000	0.000	0.000	0.000
839	A	929	VAL	0	-0.021	-0.011	28.933	0.000	0.000	0.000	0.000	0.000	0.000
840	A	930	VAL	0	-0.086	-0.034	29.827	-0.002	-0.002	0.000	0.000	0.000	0.000
841	A	931	THR	0	-0.071	-0.044	27.833	-0.006	-0.006	0.000	0.000	0.000	0.000
842	A	932	ASP	-1	-0.920	-0.950	25.118	-0.053	-0.053	0.000	0.000	0.000	0.000
843	A	933	THR	0	-0.041	-0.044	20.838	-0.009	-0.009	0.000	0.000	0.000	0.000
844	A	934	SER	0	-0.033	0.011	23.138	0.009	0.009	0.000	0.000	0.000	0.000
845	A	935	HIS	0	0.056	0.040	26.191	-0.006	-0.006	0.000	0.000	0.000	0.000
846	A	936	THR	0	-0.033	-0.040	27.816	0.000	0.000	0.000	0.000	0.000	0.000
847	A	937	ALA	0	-0.020	-0.006	30.691	0.000	0.000	0.000	0.000	0.000	0.000
848	A	938	GLY	0	0.084	0.050	32.857	-0.001	-0.001	0.000	0.000	0.000	0.000
849	A	939	LEU	0	-0.022	-0.007	33.547	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	940	THR	0	-0.056	-0.078	35.867	-0.003	-0.003	0.000	0.000	0.000	0.000
851	A	941	MET	0	0.000	0.030	38.508	0.000	0.000	0.000	0.000	0.000	0.000
852	A	942	HIS	0	0.066	0.027	33.080	0.000	0.000	0.000	0.000	0.000	0.000
853	A	943	ALA	0	-0.031	-0.014	38.213	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	944	SER	0	0.027	0.009	40.543	0.000	0.000	0.000	0.000	0.000	0.000
855	A	945	ILE	0	-0.023	-0.010	39.665	0.001	0.001	0.000	0.000	0.000	0.000
856	A	946	LEU	0	0.008	-0.003	37.158	0.000	0.000	0.000	0.000	0.000	0.000
857	A	947	ALA	0	0.018	0.029	41.822	0.000	0.000	0.000	0.000	0.000	0.000
858	A	948	TYR	0	0.020	0.007	44.885	0.000	0.000	0.000	0.000	0.000	0.000
859	A	949	MET	0	-0.036	-0.029	42.114	0.001	0.001	0.000	0.000	0.000	0.000
860	A	950	PHE	0	-0.008	-0.011	40.246	-0.001	-0.001	0.000	0.000	0.000	0.000
861	A	951	ASN	0	0.086	0.064	46.146	0.000	0.000	0.000	0.000	0.000	0.000
862	A	952	LEU	0	-0.035	-0.002	47.851	0.000	0.000	0.000	0.000	0.000	0.000
863	A	953	VAL	0	-0.026	-0.018	46.813	0.001	0.001	0.000	0.000	0.000	0.000
864	A	954	GLU	-1	-0.920	-0.944	49.785	-0.026	-0.026	0.000	0.000	0.000	0.000
865	A	955	GLU	-1	-0.957	-0.988	51.296	-0.018	-0.018	0.000	0.000	0.000	0.000
866	A	956	GLY	0	-0.030	-0.017	53.455	0.001	0.001	0.000	0.000	0.000	0.000
867	A	957	LYS	1	0.890	0.954	53.095	0.015	0.015	0.000	0.000	0.000	0.000
868	A	958	ILE	0	-0.021	0.005	48.350	0.001	0.001	0.000	0.000	0.000	0.000
869	A	959	SER	0	0.013	0.010	52.659	-0.001	-0.001	0.000	0.000	0.000	0.000
870	A	960	THR	0	0.008	0.006	53.082	-0.001	-0.001	0.000	0.000	0.000	0.000
871	A	961	SER	0	-0.034	-0.019	50.872	-0.001	-0.001	0.000	0.000	0.000	0.000
872	A	962	LEU	0	0.056	0.028	45.481	0.001	0.001	0.000	0.000	0.000	0.000
873	A	963	ASN	0	0.008	0.011	45.019	0.002	0.002	0.000	0.000	0.000	0.000
874	A	964	PRO	0	-0.001	0.005	47.505	0.000	0.000	0.000	0.000	0.000	0.000
875	A	965	GLY	0	-0.009	-0.003	49.078	0.001	0.001	0.000	0.000	0.000	0.000
876	A	966	ASN	0	-0.070	-0.054	47.127	0.000	0.000	0.000	0.000	0.000	0.000
877	A	967	PRO	0	0.009	0.024	50.034	-0.001	-0.001	0.000	0.000	0.000	0.000
878	A	968	VAL	0	-0.001	-0.006	48.224	-0.001	-0.001	0.000	0.000	0.000	0.000
879	A	969	ASN	0	0.040	0.013	51.117	0.000	0.000	0.000	0.000	0.000	0.000
880	A	970	ASN	0	0.084	0.024	48.797	-0.003	-0.003	0.000	0.000	0.000	0.000
881	A	971	GLN	0	0.026	0.025	47.330	-0.003	-0.003	0.000	0.000	0.000	0.000
882	A	972	ILE	0	-0.030	-0.014	46.844	-0.002	-0.002	0.000	0.000	0.000	0.000
883	A	973	PHE	0	0.012	0.001	43.019	-0.002	-0.002	0.000	0.000	0.000	0.000
884	A	974	LEU	0	0.046	0.026	42.068	-0.002	-0.002	0.000	0.000	0.000	0.000
885	A	975	GLN	0	0.028	0.021	41.743	-0.005	-0.005	0.000	0.000	0.000	0.000
886	A	976	GLU	-1	-0.992	-0.991	40.760	-0.044	-0.044	0.000	0.000	0.000	0.000
887	A	977	TYR	0	0.030	0.008	38.226	-0.004	-0.004	0.000	0.000	0.000	0.000
888	A	978	VAL	0	0.017	0.009	37.158	-0.002	-0.002	0.000	0.000	0.000	0.000
889	A	979	ALA	0	0.019	0.010	35.964	-0.004	-0.004	0.000	0.000	0.000	0.000
890	A	980	ASN	0	-0.052	-0.031	35.201	-0.009	-0.009	0.000	0.000	0.000	0.000
891	A	981	LEU	0	0.024	0.024	32.461	-0.005	-0.005	0.000	0.000	0.000	0.000
892	A	982	LEU	0	0.015	-0.006	31.558	-0.004	-0.004	0.000	0.000	0.000	0.000
893	A	983	LYS	1	0.795	0.883	30.522	0.062	0.062	0.000	0.000	0.000	0.000
894	A	984	SER	0	-0.054	-0.033	29.351	-0.007	-0.007	0.000	0.000	0.000	0.000
895	A	985	ALA	0	-0.005	0.010	26.766	-0.006	-0.006	0.000	0.000	0.000	0.000
896	A	986	PHE	0	-0.028	-0.016	25.751	-0.012	-0.012	0.000	0.000	0.000	0.000
897	A	987	PRO	0	0.010	0.003	24.720	0.000	0.000	0.000	0.000	0.000	0.000
898	A	988	HIS	0	-0.046	-0.021	24.746	-0.005	-0.005	0.000	0.000	0.000	0.000
899	A	989	LEU	0	-0.037	0.001	26.724	0.000	0.000	0.000	0.000	0.000	0.000
900	A	990	GLN	0	0.047	0.017	30.081	0.006	0.006	0.000	0.000	0.000	0.000
901	A	991	ASP	-1	-0.788	-0.902	33.217	-0.069	-0.069	0.000	0.000	0.000	0.000
902	A	992	ALA	0	-0.052	-0.016	35.854	0.005	0.005	0.000	0.000	0.000	0.000
903	A	993	GLN	0	0.005	-0.015	33.512	0.000	0.000	0.000	0.000	0.000	0.000
904	A	994	VAL	0	0.034	0.035	34.125	0.004	0.004	0.000	0.000	0.000	0.000
905	A	995	LYS	1	0.947	0.976	36.834	0.050	0.050	0.000	0.000	0.000	0.000
906	A	996	LEU	0	-0.009	0.004	40.417	0.004	0.004	0.000	0.000	0.000	0.000
907	A	997	PHE	0	0.043	0.021	37.291	0.002	0.002	0.000	0.000	0.000	0.000
908	A	998	VAL	0	0.013	-0.007	38.378	0.003	0.003	0.000	0.000	0.000	0.000
909	A	999	THR	0	-0.066	-0.044	40.870	0.004	0.004	0.000	0.000	0.000	0.000
910	A	1000	GLY	0	0.009	0.008	43.177	0.003	0.003	0.000	0.000	0.000	0.000
911	A	1001	LEU	0	-0.034	-0.006	38.723	0.002	0.002	0.000	0.000	0.000	0.000
912	A	1002	PHE	0	0.050	0.007	42.461	0.003	0.003	0.000	0.000	0.000	0.000
913	A	1003	SER	0	-0.051	-0.012	46.327	0.002	0.002	0.000	0.000	0.000	0.000
914	A	1004	LEU	0	-0.028	-0.027	44.355	0.000	0.000	0.000	0.000	0.000	0.000
915	A	1005	ASN	0	-0.022	-0.022	46.899	0.001	0.001	0.000	0.000	0.000	0.000
916	A	1006	GLN	0	-0.098	-0.047	47.890	0.001	0.001	0.000	0.000	0.000	0.000
917	A	1007	ASP	-1	-0.878	-0.956	48.474	-0.025	-0.025	0.000	0.000	0.000	0.000
918	A	1008	ILE	0	0.013	0.012	45.020	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	1009	PRO	0	-0.010	-0.015	44.732	-0.002	-0.002	0.000	0.000	0.000	0.000
920	A	1010	ALA	0	0.082	0.043	43.989	-0.002	-0.002	0.000	0.000	0.000	0.000
921	A	1011	PHE	0	-0.014	0.006	41.249	-0.004	-0.004	0.000	0.000	0.000	0.000
922	A	1012	LYS	1	0.863	0.914	37.890	0.027	0.027	0.000	0.000	0.000	0.000
923	A	1013	GLU	-1	-0.984	-1.007	39.246	-0.039	-0.039	0.000	0.000	0.000	0.000
924	A	1014	HIS	0	0.035	0.023	39.245	-0.005	-0.005	0.000	0.000	0.000	0.000
925	A	1015	LEU	0	-0.008	0.002	35.637	-0.005	-0.005	0.000	0.000	0.000	0.000
926	A	1016	ARG	1	0.842	0.906	34.664	0.040	0.040	0.000	0.000	0.000	0.000
927	A	1017	ASP	-1	-0.822	-0.921	34.048	-0.063	-0.063	0.000	0.000	0.000	0.000
928	A	1018	PHE	0	-0.064	-0.014	31.233	-0.008	-0.008	0.000	0.000	0.000	0.000
929	A	1019	LEU	0	0.008	-0.016	29.740	-0.008	-0.008	0.000	0.000	0.000	0.000
930	A	1020	VAL	0	-0.025	-0.003	29.966	-0.007	-0.007	0.000	0.000	0.000	0.000
931	A	1021	GLN	0	-0.063	-0.039	30.448	-0.011	-0.011	0.000	0.000	0.000	0.000
932	A	1022	ILE	0	-0.055	-0.017	27.937	-0.011	-0.011	0.000	0.000	0.000	0.000
933	A	1023	LYS	1	0.869	0.939	24.798	0.071	0.071	0.000	0.000	0.000	0.000
934	A	1024	GLU	-1	-0.909	-0.961	25.638	-0.111	-0.111	0.000	0.000	0.000	0.000
935	A	1025	PHE	0	-0.057	-0.042	25.491	-0.011	-0.011	0.000	0.000	0.000	0.000
936	A	1026	ALA	0	0.001	0.014	21.930	-0.017	-0.017	0.000	0.000	0.000	0.000
937	A	1027	GLY	0	-0.016	-0.026	22.241	-0.016	-0.016	0.000	0.000	0.000	0.000
938	A	1028	GLU	-1	-0.820	-0.906	20.542	-0.166	-0.166	0.000	0.000	0.000	0.000
939	A	1029	ASP	-1	-0.810	-0.876	23.244	-0.066	-0.066	0.000	0.000	0.000	0.000
940	A	1030	THR	0	0.029	-0.005	25.839	0.012	0.012	0.000	0.000	0.000	0.000
941	A	1031	SER	0	0.000	-0.007	28.245	0.005	0.005	0.000	0.000	0.000	0.000
942	A	1032	ASP	-1	-0.888	-0.953	27.518	-0.027	-0.027	0.000	0.000	0.000	0.000
943	A	1033	LEU	0	0.050	0.032	29.684	0.007	0.007	0.000	0.000	0.000	0.000
944	A	1034	PHE	0	-0.057	-0.031	32.292	0.004	0.004	0.000	0.000	0.000	0.000
945	A	1035	LEU	0	0.002	-0.005	31.487	0.003	0.003	0.000	0.000	0.000	0.000
946	A	1036	GLU	-1	-0.758	-0.842	34.370	-0.016	-0.016	0.000	0.000	0.000	0.000
947	A	1037	GLU	-1	-0.954	-0.978	37.239	-0.028	-0.028	0.000	0.000	0.000	0.000
948	A	1038	ARG	1	0.949	0.985	31.816	0.030	0.030	0.000	0.000	0.000	0.000
949	A	1039	GLU	-1	-0.793	-0.865	37.035	-0.004	-0.004	0.000	0.000	0.000	0.000
950	A	1040	ILE	0	-0.062	-0.030	40.276	0.003	0.003	0.000	0.000	0.000	0.000
951	A	1041	ALA	0	0.052	0.026	42.624	0.000	0.000	0.000	0.000	0.000	0.000
952	A	1042	LEU	0	-0.023	-0.005	40.834	0.001	0.001	0.000	0.000	0.000	0.000
953	A	1043	ARG	1	0.945	0.960	40.970	0.007	0.007	0.000	0.000	0.000	0.000
954	A	1044	GLN	0	-0.013	-0.003	46.429	0.001	0.001	0.000	0.000	0.000	0.000
955	A	1045	ALA	0	-0.019	-0.003	46.578	0.000	0.000	0.000	0.000	0.000	0.000
956	A	1046	ASP	-1	-0.906	-0.959	46.076	-0.001	-0.001	0.000	0.000	0.000	0.000
957	A	1047	GLU	-1	-0.862	-0.912	49.241	-0.002	-0.002	0.000	0.000	0.000	0.000
958	A	1048	GLU	-1	-0.893	-0.946	51.892	-0.007	-0.007	0.000	0.000	0.000	0.000
959	A	1049	LYS	1	0.892	0.946	51.286	0.003	0.003	0.000	0.000	0.000	0.000
960	A	1050	HIS	0	-0.019	-0.025	52.480	0.001	0.001	0.000	0.000	0.000	0.000
961	A	1051	LYS	1	0.830	0.890	54.410	0.003	0.003	0.000	0.000	0.000	0.000
962	A	1052	ARG	1	0.881	0.948	56.823	0.005	0.005	0.000	0.000	0.000	0.000
963	A	1053	GLN	0	-0.028	-0.035	54.765	0.000	0.000	0.000	0.000	0.000	0.000
964	A	1054	MET	0	-0.058	-0.028	58.208	0.001	0.001	0.000	0.000	0.000	0.000
965	A	1055	SER	0	-0.030	-0.015	61.569	0.000	0.000	0.000	0.000	0.000	0.000
966	A	1056	VAL	0	0.004	0.019	61.439	0.000	0.000	0.000	0.000	0.000	0.000
967	A	1057	PRO	0	0.007	0.005	63.455	0.001	0.001	0.000	0.000	0.000	0.000
968	A	1058	GLY	0	0.039	0.015	64.223	0.000	0.000	0.000	0.000	0.000	0.000
969	A	1059	ILE	0	-0.039	0.020	58.532	0.001	0.001	0.000	0.000	0.000	0.000
970	A	1060	PHE	0	-0.019	-0.007	58.679	0.001	0.001	0.000	0.000	0.000	0.000
971	A	1061	ASN	0	0.011	0.019	59.852	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:53:LEU)