FMO DATABASE

FMODB ID: 82J6Y

Calculation Name: 4ZHJ-A-Xray323

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4ZHJ

Chain ID: A

ChEMBL ID:

UniProt ID: P73020

Base Structure: X-ray

Registration Date: 2021-09-07

Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 1.20200129

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1280
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-44310275.947431
FMO2-HF: Nuclear repulsion	43808924.207872
FMO2-HF: Total energy	-501351.739558
FMO2-MP2: Total energy	-502808.005159

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:-1:ACE )

Summations of interaction energy for fragment #1(A:-1:ACE )

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.
1.893	3.159	0.067	-0.566	-0.767	0

Interaction energy analysis for fragmet #1(A:-1:ACE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.083 / q_NPA : 0.036

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].
3	A	1	MET	0	0.054	0.036	3.836	0.724	1.588	-0.006	-0.392	-0.466
4	A	2	PHE	0	-0.007	0.003	6.984	0.237	0.237	0.000	0.000	0.000
5	A	3	THR	0	0.016	0.003	4.279	-0.188	-0.157	0.000	-0.009	-0.022
6	A	4	ASN	0	-0.017	0.003	3.080	-0.540	-0.169	0.073	-0.165	-0.279
7	A	5	VAL	0	0.048	0.021	6.571	-0.241	-0.241	0.000	0.000	0.000
8	A	6	LYS	1	0.941	0.975	5.253	0.897	0.897	0.000	0.000	0.000
9	A	7	SER	0	0.032	0.017	9.400	-0.047	-0.047	0.000	0.000	0.000
10	A	8	THR	0	-0.025	-0.025	12.549	-0.002	-0.002	0.000	0.000	0.000
11	A	9	ILE	0	-0.027	-0.007	14.826	0.003	0.003	0.000	0.000	0.000
12	A	10	ARG	1	0.864	0.944	12.265	0.019	0.019	0.000	0.000	0.000
13	A	11	ARG	1	0.863	0.915	17.706	-0.001	-0.001	0.000	0.000	0.000
14	A	12	VAL	0	-0.067	-0.040	20.489	-0.008	-0.008	0.000	0.000	0.000
15	A	13	ASP	-1	-0.796	-0.879	23.118	0.018	0.018	0.000	0.000	0.000
16	A	14	PRO	0	-0.042	-0.027	26.912	-0.002	-0.002	0.000	0.000	0.000
17	A	15	GLU	-1	-0.963	-0.966	29.664	-0.003	-0.003	0.000	0.000	0.000
18	A	16	ALA	0	0.014	-0.008	31.425	-0.002	-0.002	0.000	0.000	0.000
19	A	17	LEU	0	0.021	0.018	34.299	0.002	0.002	0.000	0.000	0.000
20	A	18	ASN	0	-0.024	-0.011	35.613	0.000	0.000	0.000	0.000	0.000
21	A	19	GLY	0	-0.002	-0.004	39.044	0.000	0.000	0.000	0.000	0.000
22	A	20	ARG	1	0.751	0.895	32.819	-0.022	-0.022	0.000	0.000	0.000
23	A	21	GLN	0	0.023	0.029	36.538	-0.003	-0.003	0.000	0.000	0.000
24	A	22	LEU	0	-0.030	-0.025	30.657	0.001	0.001	0.000	0.000	0.000
25	A	23	LEU	0	0.034	0.030	28.129	0.000	0.000	0.000	0.000	0.000
26	A	24	LYS	1	0.899	0.961	28.209	-0.025	-0.025	0.000	0.000	0.000
27	A	25	VAL	0	0.020	0.012	22.946	0.004	0.004	0.000	0.000	0.000
28	A	26	VAL	0	0.045	0.024	22.132	-0.002	-0.002	0.000	0.000	0.000
29	A	27	TYR	0	-0.015	0.004	15.022	0.015	0.015	0.000	0.000	0.000
30	A	28	VAL	0	0.000	-0.001	16.271	-0.009	-0.009	0.000	0.000	0.000
31	A	29	VAL	0	-0.003	-0.006	12.069	0.013	0.013	0.000	0.000	0.000
32	A	30	LEU	0	0.023	0.018	8.889	-0.003	-0.003	0.000	0.000	0.000
33	A	31	GLU	-1	-0.903	-0.968	8.431	0.683	0.683	0.000	0.000	0.000
34	A	32	SER	0	-0.002	-0.026	7.256	-0.167	-0.167	0.000	0.000	0.000
35	A	33	GLN	0	-0.009	-0.008	8.962	-0.126	-0.126	0.000	0.000	0.000
36	A	34	TYR	0	0.020	-0.008	10.917	-0.057	-0.057	0.000	0.000	0.000
37	A	35	GLN	0	0.009	0.030	10.863	-0.080	-0.080	0.000	0.000	0.000
38	A	36	SER	0	-0.017	-0.017	12.878	-0.027	-0.027	0.000	0.000	0.000
39	A	37	ALA	0	0.022	0.020	14.525	-0.029	-0.029	0.000	0.000	0.000
40	A	38	LEU	0	0.067	0.030	16.794	-0.022	-0.022	0.000	0.000	0.000
41	A	39	SER	0	-0.045	-0.021	16.947	-0.025	-0.025	0.000	0.000	0.000
42	A	40	ALA	0	-0.058	-0.023	18.678	-0.016	-0.016	0.000	0.000	0.000
43	A	41	ALA	0	0.051	0.022	20.463	-0.010	-0.010	0.000	0.000	0.000
44	A	42	VAL	0	0.030	0.017	22.264	-0.009	-0.009	0.000	0.000	0.000
45	A	43	ARG	1	0.887	0.934	21.658	-0.027	-0.027	0.000	0.000	0.000
46	A	44	ASN	0	-0.078	-0.069	24.657	-0.013	-0.013	0.000	0.000	0.000
47	A	45	ILE	0	0.084	0.060	26.517	-0.005	-0.005	0.000	0.000	0.000
48	A	46	ASN	0	0.004	0.005	27.084	-0.003	-0.003	0.000	0.000	0.000
49	A	47	ARG	1	0.873	0.959	24.302	-0.037	-0.037	0.000	0.000	0.000
50	A	48	THR	0	-0.051	-0.034	30.303	-0.002	-0.002	0.000	0.000	0.000
51	A	49	ASN	0	0.061	0.048	32.235	-0.004	-0.004	0.000	0.000	0.000
52	A	50	SER	0	0.007	-0.007	34.074	-0.001	-0.001	0.000	0.000	0.000
53	A	51	SER	0	0.010	-0.001	36.701	-0.002	-0.002	0.000	0.000	0.000
54	A	52	LEU	0	0.003	0.008	31.298	0.000	0.000	0.000	0.000	0.000
55	A	53	ALA	0	-0.034	-0.018	31.309	0.000	0.000	0.000	0.000	0.000
56	A	54	ILE	0	0.031	0.003	25.991	0.001	0.001	0.000	0.000	0.000
57	A	55	GLN	0	-0.007	-0.008	26.414	-0.003	-0.003	0.000	0.000	0.000
58	A	56	LEU	0	-0.027	-0.005	19.351	0.006	0.006	0.000	0.000	0.000
59	A	57	THR	0	0.014	0.012	21.410	-0.005	-0.005	0.000	0.000	0.000
60	A	58	GLY	0	0.065	0.017	17.988	0.011	0.011	0.000	0.000	0.000
61	A	59	TYR	0	-0.034	-0.019	15.902	-0.021	-0.021	0.000	0.000	0.000
62	A	60	LEU	0	-0.019	-0.003	8.973	0.032	0.032	0.000	0.000	0.000
63	A	61	ILE	0	0.032	0.013	12.241	-0.032	-0.032	0.000	0.000	0.000
64	A	62	GLU	-1	-0.846	-0.931	10.706	0.089	0.089	0.000	0.000	0.000
65	A	63	GLU	-1	-0.946	-0.981	12.768	-0.028	-0.028	0.000	0.000	0.000
66	A	64	LEU	0	0.058	0.055	15.313	-0.015	-0.015	0.000	0.000	0.000
67	A	65	ARG	1	0.832	0.877	16.274	0.007	0.007	0.000	0.000	0.000
68	A	66	ASP	-1	-0.773	-0.837	20.174	-0.012	-0.012	0.000	0.000	0.000
69	A	67	PRO	0	-0.246	-0.161	20.592	-0.005	-0.005	0.000	0.000	0.000
70	A	68	GLU	-1	-0.863	-0.907	21.524	-0.026	-0.026	0.000	0.000	0.000
71	A	69	ASN	0	0.000	-0.031	17.812	0.003	0.003	0.000	0.000	0.000
72	A	70	TYR	0	-0.013	-0.015	21.555	0.006	0.006	0.000	0.000	0.000
73	A	71	ALA	0	-0.023	-0.009	23.079	0.005	0.005	0.000	0.000	0.000
74	A	72	ASN	0	0.012	-0.004	23.549	0.004	0.004	0.000	0.000	0.000
75	A	73	PHE	0	-0.002	0.020	20.774	0.006	0.006	0.000	0.000	0.000
76	A	74	LYS	1	0.941	0.966	23.951	-0.017	-0.017	0.000	0.000	0.000
77	A	75	HIS	0	-0.051	-0.012	27.274	0.001	0.001	0.000	0.000	0.000
78	A	76	ASP	-1	-0.810	-0.888	24.421	0.026	0.026	0.000	0.000	0.000
79	A	77	VAL	0	-0.056	-0.040	24.958	0.004	0.004	0.000	0.000	0.000
80	A	78	SER	0	-0.121	-0.087	27.383	0.000	0.000	0.000	0.000	0.000
81	A	79	GLU	-1	-0.901	-0.958	30.167	0.018	0.018	0.000	0.000	0.000
82	A	80	ALA	0	-0.062	-0.020	27.415	0.000	0.000	0.000	0.000	0.000
83	A	81	ASN	0	0.022	0.016	29.320	-0.001	-0.001	0.000	0.000	0.000
84	A	82	LEU	0	0.000	-0.005	26.109	0.003	0.003	0.000	0.000	0.000
85	A	83	PHE	0	0.028	0.014	21.936	0.002	0.002	0.000	0.000	0.000
86	A	84	ILE	0	-0.011	-0.002	19.700	0.005	0.005	0.000	0.000	0.000
87	A	85	ALA	0	0.019	0.006	18.753	0.001	0.001	0.000	0.000	0.000
88	A	86	SER	0	0.006	0.009	15.543	-0.007	-0.007	0.000	0.000	0.000
89	A	87	LEU	0	-0.071	-0.017	12.074	0.026	0.026	0.000	0.000	0.000
90	A	88	ILE	0	0.032	0.010	13.917	0.025	0.025	0.000	0.000	0.000
91	A	89	PHE	0	-0.010	-0.028	14.599	-0.025	-0.025	0.000	0.000	0.000
92	A	90	ILE	0	0.019	-0.001	13.292	0.009	0.009	0.000	0.000	0.000
93	A	91	GLU	-1	-0.925	-0.955	17.456	0.075	0.075	0.000	0.000	0.000
94	A	92	ASP	-1	-0.830	-0.917	19.870	0.045	0.045	0.000	0.000	0.000
95	A	93	LEU	0	-0.013	-0.020	15.646	-0.003	-0.003	0.000	0.000	0.000
96	A	94	ALA	0	0.000	-0.010	19.735	-0.001	-0.001	0.000	0.000	0.000
97	A	95	ASP	-1	-0.884	-0.935	21.151	0.044	0.044	0.000	0.000	0.000
98	A	96	LYS	1	0.784	0.892	22.191	-0.046	-0.046	0.000	0.000	0.000
99	A	97	VAL	0	0.027	0.012	20.103	-0.004	-0.004	0.000	0.000	0.000
100	A	98	VAL	0	0.050	0.017	23.367	-0.003	-0.003	0.000	0.000	0.000
101	A	99	GLU	-1	-0.919	-0.877	26.511	0.026	0.026	0.000	0.000	0.000
102	A	100	ALA	0	-0.018	-0.012	25.694	-0.005	-0.005	0.000	0.000	0.000
103	A	101	VAL	0	-0.003	0.002	25.087	-0.002	-0.002	0.000	0.000	0.000
104	A	102	THR	0	-0.086	-0.127	28.201	-0.003	-0.003	0.000	0.000	0.000
105	A	103	PRO	0	-0.052	-0.012	30.848	-0.002	-0.002	0.000	0.000	0.000
106	A	104	TYR	0	0.027	0.013	31.075	-0.004	-0.004	0.000	0.000	0.000
107	A	105	ARG	1	0.901	0.972	30.847	-0.058	-0.058	0.000	0.000	0.000
108	A	106	ASP	-1	-0.955	-0.998	32.602	0.041	0.041	0.000	0.000	0.000
109	A	107	ASN	0	-0.075	-0.031	33.807	-0.002	-0.002	0.000	0.000	0.000
110	A	108	LEU	0	-0.039	-0.006	28.539	0.001	0.001	0.000	0.000	0.000
111	A	109	ASP	-1	-0.816	-0.899	32.188	0.043	0.043	0.000	0.000	0.000
112	A	110	ALA	0	-0.050	-0.035	29.740	0.002	0.002	0.000	0.000	0.000
113	A	111	ALA	0	-0.037	-0.011	27.061	0.001	0.001	0.000	0.000	0.000
114	A	112	ILE	0	0.009	0.003	23.636	0.001	0.001	0.000	0.000	0.000
115	A	113	VAL	0	-0.036	-0.032	21.235	0.009	0.009	0.000	0.000	0.000
116	A	114	PHE	0	0.053	0.011	19.035	-0.002	-0.002	0.000	0.000	0.000
117	A	115	PRO	0	-0.007	-0.027	18.665	0.005	0.005	0.000	0.000	0.000
118	A	116	SER	0	-0.005	-0.014	18.057	0.035	0.035	0.000	0.000	0.000
119	A	117	MET	0	-0.002	0.020	19.434	-0.005	-0.005	0.000	0.000	0.000
120	A	118	PRO	0	0.018	0.006	21.517	-0.005	-0.005	0.000	0.000	0.000
121	A	119	GLN	0	0.026	-0.004	23.589	0.002	0.002	0.000	0.000	0.000
122	A	120	VAL	0	0.051	0.024	20.678	-0.007	-0.007	0.000	0.000	0.000
123	A	121	MET	0	0.006	0.034	23.043	0.000	0.000	0.000	0.000	0.000
124	A	122	ARG	1	0.894	0.958	25.089	-0.075	-0.075	0.000	0.000	0.000
125	A	123	LEU	0	-0.013	-0.017	24.427	-0.008	-0.008	0.000	0.000	0.000
126	A	124	ASN	0	-0.047	-0.011	24.972	-0.003	-0.003	0.000	0.000	0.000
127	A	125	LYS	1	0.898	0.945	28.215	-0.054	-0.054	0.000	0.000	0.000
128	A	126	MET	0	0.019	0.033	29.626	0.004	0.004	0.000	0.000	0.000
129	A	127	GLY	0	0.090	0.054	32.428	-0.001	-0.001	0.000	0.000	0.000
130	A	128	SER	0	-0.138	-0.098	36.148	-0.001	-0.001	0.000	0.000	0.000
131	A	129	PHE	0	0.020	0.020	30.128	0.000	0.000	0.000	0.000	0.000
132	A	130	SER	0	0.022	0.000	32.079	0.001	0.001	0.000	0.000	0.000
133	A	131	MET	0	-0.005	0.007	27.772	0.004	0.004	0.000	0.000	0.000
134	A	132	ALA	0	-0.038	-0.030	31.212	0.000	0.000	0.000	0.000	0.000
135	A	133	GLN	0	0.018	-0.005	34.442	0.005	0.005	0.000	0.000	0.000
136	A	134	LEU	0	0.003	0.012	30.177	0.001	0.001	0.000	0.000	0.000
137	A	135	GLY	0	0.006	0.009	34.767	0.001	0.001	0.000	0.000	0.000
138	A	136	NME	0	-0.015	0.002	37.774	0.000	0.000	0.000	0.000	0.000
139	A	156	ACE	0	0.006	-0.004	16.506	-0.005	-0.005	0.000	0.000	0.000
140	A	157	PHE	0	-0.036	-0.036	11.248	0.046	0.046	0.000	0.000	0.000
141	A	158	GLN	0	0.077	0.041	15.944	-0.014	-0.014	0.000	0.000	0.000
142	A	159	ASP	-1	-0.863	-0.933	17.403	0.221	0.221	0.000	0.000	0.000
143	A	160	ALA	0	0.018	0.001	18.997	-0.026	-0.026	0.000	0.000	0.000
144	A	161	MET	0	-0.005	-0.013	15.922	-0.028	-0.028	0.000	0.000	0.000
145	A	162	LEU	0	0.033	0.013	21.097	-0.021	-0.021	0.000	0.000	0.000
146	A	163	LYS	1	0.947	0.988	23.579	-0.130	-0.130	0.000	0.000	0.000
147	A	164	LEU	0	-0.002	0.022	23.617	-0.012	-0.012	0.000	0.000	0.000
148	A	165	LEU	0	0.017	0.013	24.912	-0.011	-0.011	0.000	0.000	0.000
149	A	166	ARG	1	0.968	0.980	25.791	-0.136	-0.136	0.000	0.000	0.000
150	A	167	THR	0	-0.022	-0.030	28.857	-0.008	-0.008	0.000	0.000	0.000
151	A	168	LEU	0	-0.014	0.025	27.949	-0.007	-0.007	0.000	0.000	0.000
152	A	169	PRO	0	0.050	0.020	31.490	-0.006	-0.006	0.000	0.000	0.000
153	A	170	THR	0	-0.099	-0.063	34.106	-0.005	-0.005	0.000	0.000	0.000
154	A	171	VAL	0	-0.013	-0.005	33.507	-0.004	-0.004	0.000	0.000	0.000
155	A	172	LEU	0	-0.011	-0.006	35.488	-0.004	-0.004	0.000	0.000	0.000
156	A	173	LYS	1	0.850	0.905	38.434	-0.052	-0.052	0.000	0.000	0.000
157	A	174	TYR	0	-0.041	-0.014	39.372	-0.004	-0.004	0.000	0.000	0.000
158	A	175	LEU	0	-0.046	-0.022	37.345	-0.001	-0.001	0.000	0.000	0.000
159	A	176	PRO	0	-0.034	-0.009	41.828	-0.001	-0.001	0.000	0.000	0.000
160	A	177	VAL	0	0.070	0.030	42.382	0.003	0.003	0.000	0.000	0.000
161	A	178	GLU	-1	-0.807	-0.917	41.739	0.042	0.042	0.000	0.000	0.000
162	A	179	LYS	1	0.891	0.939	39.378	-0.039	-0.039	0.000	0.000	0.000
163	A	180	ALA	0	-0.029	-0.002	37.858	0.004	0.004	0.000	0.000	0.000
164	A	181	GLN	0	0.032	-0.013	36.229	0.003	0.003	0.000	0.000	0.000
165	A	182	ASP	-1	-0.734	-0.811	35.315	0.057	0.057	0.000	0.000	0.000
166	A	183	ALA	0	-0.004	-0.003	33.196	0.005	0.005	0.000	0.000	0.000
167	A	184	ARG	1	0.809	0.879	31.836	-0.068	-0.068	0.000	0.000	0.000
168	A	185	ASN	0	0.050	0.006	31.958	0.006	0.006	0.000	0.000	0.000
169	A	186	PHE	0	-0.006	-0.007	25.944	0.007	0.007	0.000	0.000	0.000
170	A	187	MET	0	-0.030	-0.006	27.707	0.007	0.007	0.000	0.000	0.000
171	A	188	LEU	0	0.006	0.004	27.769	0.008	0.008	0.000	0.000	0.000
172	A	189	SER	0	-0.028	-0.015	26.092	0.009	0.009	0.000	0.000	0.000
173	A	190	PHE	0	-0.027	-0.022	20.990	0.015	0.015	0.000	0.000	0.000
174	A	191	GLN	0	-0.023	-0.034	23.036	0.011	0.011	0.000	0.000	0.000
175	A	192	TYR	0	0.025	0.010	23.656	0.009	0.009	0.000	0.000	0.000
176	A	193	TRP	0	0.009	0.009	16.498	0.000	0.000	0.000	0.000	0.000
177	A	194	LEU	0	-0.013	-0.002	18.968	0.023	0.023	0.000	0.000	0.000
178	A	195	GLY	0	-0.020	0.016	19.126	0.014	0.014	0.000	0.000	0.000
179	A	196	GLY	0	-0.023	-0.006	17.555	0.010	0.010	0.000	0.000	0.000
180	A	197	SER	0	0.000	0.005	17.825	0.004	0.004	0.000	0.000	0.000
181	A	198	GLN	0	-0.004	-0.017	20.202	0.000	0.000	0.000	0.000	0.000
182	A	199	GLU	-1	-0.870	-0.945	21.389	0.085	0.085	0.000	0.000	0.000
183	A	200	ASN	0	-0.055	-0.022	21.954	0.004	0.004	0.000	0.000	0.000
184	A	201	LEU	0	0.027	-0.005	18.053	-0.003	-0.003	0.000	0.000	0.000
185	A	202	GLU	-1	-0.832	-0.894	22.723	0.061	0.061	0.000	0.000	0.000
186	A	203	ASN	0	0.013	0.009	25.754	-0.011	-0.011	0.000	0.000	0.000
187	A	204	PHE	0	-0.038	-0.007	23.420	-0.002	-0.002	0.000	0.000	0.000
188	A	205	LEU	0	-0.006	-0.008	23.420	-0.004	-0.004	0.000	0.000	0.000
189	A	206	LEU	0	0.017	0.023	27.071	-0.006	-0.006	0.000	0.000	0.000
190	A	207	MET	0	-0.005	0.019	29.823	-0.002	-0.002	0.000	0.000	0.000
191	A	208	LEU	0	-0.024	-0.031	26.702	-0.003	-0.003	0.000	0.000	0.000
192	A	209	THR	0	-0.019	-0.041	30.321	-0.004	-0.004	0.000	0.000	0.000
193	A	210	ASP	-1	-0.905	-0.949	32.570	0.041	0.041	0.000	0.000	0.000
194	A	211	LYS	1	0.907	0.972	34.369	-0.060	-0.060	0.000	0.000	0.000
195	A	212	TYR	0	-0.094	-0.053	32.794	0.001	0.001	0.000	0.000	0.000
196	A	213	VAL	0	-0.026	0.009	31.925	-0.001	-0.001	0.000	0.000	0.000
197	A	214	TYR	0	-0.080	-0.071	34.220	-0.004	-0.004	0.000	0.000	0.000
198	A	215	PRO	0	0.069	0.036	37.737	0.000	0.000	0.000	0.000	0.000
199	A	216	ASP	-1	-0.931	-0.955	39.878	0.029	0.029	0.000	0.000	0.000
200	A	217	LEU	0	-0.107	-0.066	36.952	-0.002	-0.002	0.000	0.000	0.000
201	A	218	GLY	0	-0.011	0.014	40.480	-0.001	-0.001	0.000	0.000	0.000
202	A	219	LEU	0	-0.045	-0.039	33.897	0.000	0.000	0.000	0.000	0.000
203	A	220	ASP	-1	-0.942	-0.957	36.697	0.037	0.037	0.000	0.000	0.000
204	A	221	NME	0	-0.045	-0.013	34.146	0.002	0.002	0.000	0.000	0.000
205	A	229	ACE	0	0.032	0.007	32.297	0.001	0.001	0.000	0.000	0.000
206	A	230	VAL	0	-0.026	-0.028	33.197	-0.004	-0.004	0.000	0.000	0.000
207	A	231	TYR	0	-0.020	0.010	34.908	0.002	0.002	0.000	0.000	0.000
208	A	232	PRO	0	0.055	0.044	38.013	-0.003	-0.003	0.000	0.000	0.000
209	A	233	ASP	-1	-0.909	-0.965	40.993	0.034	0.034	0.000	0.000	0.000
210	A	234	MET	0	-0.063	-0.045	43.944	-0.001	-0.001	0.000	0.000	0.000
211	A	235	GLY	0	0.008	0.017	41.108	0.001	0.001	0.000	0.000	0.000
212	A	236	ILE	0	-0.021	-0.008	39.247	-0.001	-0.001	0.000	0.000	0.000
213	A	237	TRP	0	0.061	-0.005	35.111	0.002	0.002	0.000	0.000	0.000
214	A	238	HIS	0	0.025	-0.016	34.656	0.001	0.001	0.000	0.000	0.000
215	A	239	PRO	0	0.035	0.032	33.901	0.004	0.004	0.000	0.000	0.000
216	A	240	LEU	0	-0.064	-0.034	29.549	0.006	0.006	0.000	0.000	0.000
217	A	241	SER	0	-0.026	-0.007	29.577	0.010	0.010	0.000	0.000	0.000
218	A	242	MET	0	-0.023	-0.013	26.174	-0.001	-0.001	0.000	0.000	0.000
219	A	243	GLN	0	-0.039	-0.003	29.416	0.000	0.000	0.000	0.000	0.000
220	A	244	MET	0	-0.016	0.001	31.664	-0.001	-0.001	0.000	0.000	0.000
221	A	245	PHE	0	0.022	0.008	32.656	0.000	0.000	0.000	0.000	0.000
222	A	246	GLU	-1	-0.896	-0.953	37.165	0.044	0.044	0.000	0.000	0.000
223	A	247	ASN	0	-0.062	-0.045	38.885	-0.003	-0.003	0.000	0.000	0.000
224	A	248	VAL	0	0.096	0.046	40.036	0.003	0.003	0.000	0.000	0.000
225	A	249	LYS	1	0.946	0.981	38.733	-0.043	-0.043	0.000	0.000	0.000
226	A	250	ASP	-1	-0.812	-0.901	35.635	0.056	0.056	0.000	0.000	0.000
227	A	251	TYR	0	-0.059	-0.044	35.468	0.005	0.005	0.000	0.000	0.000
228	A	252	LEU	0	0.030	-0.011	36.383	0.003	0.003	0.000	0.000	0.000
229	A	253	GLU	-1	-0.998	-0.982	33.182	0.068	0.068	0.000	0.000	0.000
230	A	254	TRP	0	-0.006	-0.002	29.473	0.001	0.001	0.000	0.000	0.000
231	A	255	TYR	0	-0.011	-0.021	32.506	0.004	0.004	0.000	0.000	0.000
232	A	256	ASN	0	0.043	-0.002	34.536	0.002	0.002	0.000	0.000	0.000
233	A	257	GLN	0	-0.044	-0.016	29.658	0.004	0.004	0.000	0.000	0.000
234	A	258	ARG	1	0.745	0.888	29.629	-0.070	-0.070	0.000	0.000	0.000
235	A	259	PRO	0	-0.061	-0.038	26.546	-0.003	-0.003	0.000	0.000	0.000
236	A	260	ASP	-1	-0.918	-0.976	29.461	0.096	0.096	0.000	0.000	0.000
237	A	261	ILE	0	0.004	0.025	31.009	-0.004	-0.004	0.000	0.000	0.000
238	A	262	SER	0	0.001	-0.004	34.670	0.001	0.001	0.000	0.000	0.000
239	A	263	GLU	-1	-0.889	-0.962	36.350	0.065	0.065	0.000	0.000	0.000
240	A	264	ASP	-1	-0.884	-0.949	38.431	0.048	0.048	0.000	0.000	0.000
241	A	265	LEU	0	-0.056	-0.022	38.042	-0.002	-0.002	0.000	0.000	0.000
242	A	266	LYS	1	0.816	0.915	33.038	-0.077	-0.077	0.000	0.000	0.000
243	A	267	ASP	-1	-0.850	-0.898	39.855	0.041	0.041	0.000	0.000	0.000
244	A	268	PRO	0	-0.012	-0.019	43.263	0.000	0.000	0.000	0.000	0.000
245	A	269	LEU	0	-0.069	-0.042	45.636	-0.002	-0.002	0.000	0.000	0.000
246	A	270	ALA	0	-0.003	0.013	44.520	-0.001	-0.001	0.000	0.000	0.000
247	A	271	PRO	0	-0.030	-0.022	46.464	-0.001	-0.001	0.000	0.000	0.000
248	A	272	CYS	0	-0.066	-0.014	45.647	0.003	0.003	0.000	0.000	0.000
249	A	273	ILE	0	0.025	0.016	45.954	-0.002	-0.002	0.000	0.000	0.000
250	A	274	GLY	0	0.019	0.009	45.670	0.002	0.002	0.000	0.000	0.000
251	A	275	LEU	0	-0.016	-0.018	43.139	-0.001	-0.001	0.000	0.000	0.000
252	A	276	ILE	0	0.010	0.009	45.873	0.001	0.001	0.000	0.000	0.000
253	A	277	MET	0	0.009	0.013	41.707	0.000	0.000	0.000	0.000	0.000
254	A	278	GLN	0	0.019	-0.002	45.897	-0.001	-0.001	0.000	0.000	0.000
255	A	279	ARG	1	0.977	0.976	40.737	-0.039	-0.039	0.000	0.000	0.000
256	A	280	THR	0	0.002	-0.003	41.315	0.003	0.003	0.000	0.000	0.000
257	A	281	HIS	0	0.090	0.034	41.530	0.001	0.001	0.000	0.000	0.000
258	A	282	LEU	0	-0.026	-0.011	37.872	0.002	0.002	0.000	0.000	0.000
259	A	283	VAL	0	-0.088	-0.040	36.749	0.003	0.003	0.000	0.000	0.000
260	A	284	THR	0	0.008	0.029	37.296	0.000	0.000	0.000	0.000	0.000
261	A	285	GLY	0	-0.003	-0.005	35.685	0.002	0.002	0.000	0.000	0.000
262	A	286	ASP	-1	-0.919	-0.942	36.469	0.050	0.050	0.000	0.000	0.000
263	A	287	ASP	-1	-0.794	-0.889	36.625	0.061	0.061	0.000	0.000	0.000
264	A	288	ALA	0	0.040	0.020	38.094	0.001	0.001	0.000	0.000	0.000
265	A	289	HIS	0	0.026	0.006	39.106	0.003	0.003	0.000	0.000	0.000
266	A	290	TYR	0	-0.005	-0.010	40.458	-0.001	-0.001	0.000	0.000	0.000
267	A	291	VAL	0	-0.021	-0.016	35.168	0.001	0.001	0.000	0.000	0.000
268	A	292	GLY	0	0.001	-0.004	38.350	0.002	0.002	0.000	0.000	0.000
269	A	293	MET	0	-0.018	0.001	40.286	-0.001	-0.001	0.000	0.000	0.000
270	A	294	VAL	0	-0.002	-0.007	38.087	-0.001	-0.001	0.000	0.000	0.000
271	A	295	GLN	0	0.017	0.008	35.869	0.003	0.003	0.000	0.000	0.000
272	A	296	GLU	-1	-0.834	-0.912	38.991	0.048	0.048	0.000	0.000	0.000
273	A	297	LEU	0	0.008	0.006	42.467	-0.001	-0.001	0.000	0.000	0.000
274	A	298	GLU	-1	-0.733	-0.836	36.886	0.069	0.069	0.000	0.000	0.000
275	A	299	ALA	0	-0.066	-0.024	40.116	0.000	0.000	0.000	0.000	0.000
276	A	300	MET	0	-0.091	-0.038	41.041	-0.002	-0.002	0.000	0.000	0.000
277	A	301	GLY	0	-0.008	0.006	42.609	-0.002	-0.002	0.000	0.000	0.000
278	A	302	ALA	0	-0.021	-0.021	43.562	-0.002	-0.002	0.000	0.000	0.000
279	A	303	ARG	1	0.921	0.973	40.830	-0.044	-0.044	0.000	0.000	0.000
280	A	304	VAL	0	0.004	0.000	40.692	-0.003	-0.003	0.000	0.000	0.000
281	A	305	ILE	0	0.001	0.015	40.986	0.003	0.003	0.000	0.000	0.000
282	A	306	CYS	0	-0.028	0.002	40.431	-0.003	-0.003	0.000	0.000	0.000
283	A	307	VAL	0	0.020	0.027	41.728	0.002	0.002	0.000	0.000	0.000
284	A	308	PHE	0	0.000	-0.004	39.321	-0.001	-0.001	0.000	0.000	0.000
285	A	309	SER	0	0.019	-0.018	44.373	-0.001	-0.001	0.000	0.000	0.000
286	A	310	GLY	0	-0.018	-0.009	46.033	0.000	0.000	0.000	0.000	0.000
287	A	311	GLY	0	-0.034	0.000	46.515	-0.001	-0.001	0.000	0.000	0.000
288	A	312	LEU	0	0.042	0.037	50.231	0.000	0.000	0.000	0.000	0.000
289	A	313	ASP	-1	-0.789	-0.819	52.811	0.025	0.025	0.000	0.000	0.000
290	A	314	PHE	0	0.026	-0.010	48.119	0.001	0.001	0.000	0.000	0.000
291	A	315	SER	0	-0.011	-0.056	51.760	0.001	0.001	0.000	0.000	0.000
292	A	316	LYS	1	0.887	0.955	50.758	-0.027	-0.027	0.000	0.000	0.000
293	A	317	PRO	0	0.068	0.026	46.800	0.000	0.000	0.000	0.000	0.000
294	A	318	VAL	0	-0.007	0.022	48.382	0.001	0.001	0.000	0.000	0.000
295	A	319	ASN	0	0.000	-0.025	50.808	0.000	0.000	0.000	0.000	0.000
296	A	320	GLU	-1	-0.988	-0.984	46.718	0.032	0.032	0.000	0.000	0.000
297	A	321	TYR	0	0.006	-0.009	43.832	0.001	0.001	0.000	0.000	0.000
298	A	322	PHE	0	-0.008	0.001	46.145	0.001	0.001	0.000	0.000	0.000
299	A	323	TRP	0	-0.042	-0.014	48.845	-0.001	-0.001	0.000	0.000	0.000
300	A	324	ASP	-1	-0.897	-0.945	48.188	0.036	0.036	0.000	0.000	0.000
301	A	325	LYS	1	0.825	0.912	47.992	-0.030	-0.030	0.000	0.000	0.000
302	A	326	SER	0	0.024	0.023	47.813	0.000	0.000	0.000	0.000	0.000
303	A	327	VAL	0	-0.028	-0.019	49.526	-0.001	-0.001	0.000	0.000	0.000
304	A	328	ASN	0	-0.057	-0.040	51.549	-0.001	-0.001	0.000	0.000	0.000
305	A	329	GLY	0	0.037	0.026	54.985	0.000	0.000	0.000	0.000	0.000
306	A	330	VAL	0	-0.065	-0.053	58.081	0.000	0.000	0.000	0.000	0.000
307	A	331	GLU	-1	-0.898	-0.941	53.947	0.026	0.026	0.000	0.000	0.000
308	A	332	PRO	0	-0.035	0.001	52.659	0.001	0.001	0.000	0.000	0.000
309	A	333	LEU	0	0.061	0.022	52.485	-0.001	-0.001	0.000	0.000	0.000
310	A	334	PRO	0	-0.006	0.002	51.598	0.001	0.001	0.000	0.000	0.000
311	A	335	ILE	0	0.000	0.011	45.254	0.000	0.000	0.000	0.000	0.000
312	A	336	VAL	0	-0.019	-0.008	47.551	0.002	0.002	0.000	0.000	0.000
313	A	337	ASP	-1	-0.832	-0.926	49.751	0.034	0.034	0.000	0.000	0.000
314	A	338	ALA	0	0.013	-0.008	51.116	-0.002	-0.002	0.000	0.000	0.000
315	A	339	VAL	0	-0.013	-0.002	50.569	0.002	0.002	0.000	0.000	0.000
316	A	340	VAL	0	0.026	0.012	49.055	-0.001	-0.001	0.000	0.000	0.000
317	A	341	SER	0	-0.027	-0.022	49.244	0.002	0.002	0.000	0.000	0.000
318	A	342	LEU	0	0.026	0.000	45.677	0.000	0.000	0.000	0.000	0.000
319	A	343	THR	0	-0.015	-0.004	48.692	0.000	0.000	0.000	0.000	0.000
320	A	344	GLY	0	0.013	-0.008	50.399	0.000	0.000	0.000	0.000	0.000
321	A	345	PHE	0	-0.086	-0.029	51.410	-0.001	-0.001	0.000	0.000	0.000
322	A	346	ALA	0	0.040	0.020	55.291	0.000	0.000	0.000	0.000	0.000
323	A	347	LEU	0	-0.039	-0.005	53.585	0.001	0.001	0.000	0.000	0.000
324	A	348	VAL	0	-0.011	-0.008	54.970	0.001	0.001	0.000	0.000	0.000
325	A	349	GLY	0	0.076	0.048	56.498	-0.001	-0.001	0.000	0.000	0.000
326	A	350	GLY	0	0.018	-0.026	57.128	0.000	0.000	0.000	0.000	0.000
327	A	351	PRO	0	0.010	-0.018	57.677	-0.001	-0.001	0.000	0.000	0.000
328	A	352	ALA	0	-0.024	-0.004	60.647	-0.001	-0.001	0.000	0.000	0.000
329	A	353	ARG	1	0.889	0.920	58.036	-0.022	-0.022	0.000	0.000	0.000
330	A	354	GLN	0	-0.024	-0.005	59.977	0.001	0.001	0.000	0.000	0.000
331	A	355	ASP	-1	-0.887	-0.947	60.889	0.019	0.019	0.000	0.000	0.000
332	A	356	HIS	0	0.053	0.001	61.476	0.000	0.000	0.000	0.000	0.000
333	A	357	PRO	0	0.022	0.013	63.307	0.000	0.000	0.000	0.000	0.000
334	A	358	ARG	1	0.902	0.940	56.330	-0.023	-0.023	0.000	0.000	0.000
335	A	359	ALA	0	-0.012	-0.011	58.985	0.001	0.001	0.000	0.000	0.000
336	A	360	ILE	0	0.045	0.019	59.759	0.001	0.001	0.000	0.000	0.000
337	A	361	GLU	-1	-0.912	-0.948	61.927	0.021	0.021	0.000	0.000	0.000
338	A	362	SER	0	-0.108	-0.058	56.093	0.001	0.001	0.000	0.000	0.000
339	A	363	LEU	0	0.029	0.001	55.950	0.001	0.001	0.000	0.000	0.000
340	A	364	LYS	1	0.879	0.957	58.562	-0.021	-0.021	0.000	0.000	0.000
341	A	365	LYS	1	0.856	0.931	58.699	-0.022	-0.022	0.000	0.000	0.000
342	A	366	LEU	0	-0.020	-0.001	52.717	0.000	0.000	0.000	0.000	0.000
343	A	367	ASN	0	0.028	0.014	56.670	0.000	0.000	0.000	0.000	0.000
344	A	368	ARG	1	0.847	0.937	53.825	-0.029	-0.029	0.000	0.000	0.000
345	A	369	PRO	0	0.032	0.015	55.779	-0.001	-0.001	0.000	0.000	0.000
346	A	370	TYR	0	0.019	0.014	53.814	0.002	0.002	0.000	0.000	0.000
347	A	371	MET	0	-0.011	0.008	53.529	-0.001	-0.001	0.000	0.000	0.000
348	A	372	CYS	0	-0.033	-0.010	53.621	0.001	0.001	0.000	0.000	0.000
349	A	373	ALA	0	0.012	0.012	51.261	-0.001	-0.001	0.000	0.000	0.000
350	A	374	LEU	0	0.024	0.005	51.825	0.001	0.001	0.000	0.000	0.000
351	A	375	PRO	0	0.055	0.025	48.934	0.001	0.001	0.000	0.000	0.000
352	A	376	LEU	0	-0.014	-0.004	49.945	0.001	0.001	0.000	0.000	0.000
353	A	377	VAL	0	0.014	0.026	50.559	0.000	0.000	0.000	0.000	0.000
354	A	378	PHE	0	-0.038	-0.034	46.469	0.001	0.001	0.000	0.000	0.000
355	A	379	GLN	0	0.015	0.030	47.319	0.002	0.002	0.000	0.000	0.000
356	A	380	NME	0	-0.010	-0.012	47.630	0.000	0.000	0.000	0.000	0.000
357	A	391	ACE	0	0.027	0.004	56.872	0.000	0.000	0.000	0.000	0.000
358	A	392	HIS	0	0.036	-0.008	57.672	-0.001	-0.001	0.000	0.000	0.000
359	A	393	PRO	0	0.058	0.030	60.603	0.001	0.001	0.000	0.000	0.000
360	A	394	ILE	0	0.040	0.020	63.083	0.000	0.000	0.000	0.000	0.000
361	A	395	GLN	0	-0.011	-0.006	58.847	0.000	0.000	0.000	0.000	0.000
362	A	396	VAL	0	0.010	0.006	58.431	0.000	0.000	0.000	0.000	0.000
363	A	397	ALA	0	0.022	0.021	60.412	0.000	0.000	0.000	0.000	0.000
364	A	398	LEU	0	-0.042	-0.021	62.217	0.000	0.000	0.000	0.000	0.000
365	A	399	GLN	0	-0.028	-0.023	55.963	0.001	0.001	0.000	0.000	0.000
366	A	400	ILE	0	-0.010	-0.006	59.336	0.000	0.000	0.000	0.000	0.000
367	A	401	ALA	0	0.021	0.019	60.490	0.000	0.000	0.000	0.000	0.000
368	A	402	ILE	0	-0.018	-0.002	59.923	0.000	0.000	0.000	0.000	0.000
369	A	403	PRO	0	0.028	0.004	57.499	0.000	0.000	0.000	0.000	0.000
370	A	404	GLU	-1	-0.751	-0.855	59.776	0.021	0.021	0.000	0.000	0.000
371	A	405	LEU	0	-0.080	-0.039	62.952	-0.001	-0.001	0.000	0.000	0.000
372	A	406	ASP	-1	-0.832	-0.906	58.948	0.024	0.024	0.000	0.000	0.000
373	A	407	GLY	0	-0.034	0.005	61.243	0.000	0.000	0.000	0.000	0.000
374	A	408	ALA	0	-0.086	-0.026	57.969	0.001	0.001	0.000	0.000	0.000
375	A	409	ILE	0	0.008	0.003	58.359	-0.001	-0.001	0.000	0.000	0.000
376	A	410	GLU	-1	-0.817	-0.929	57.467	0.026	0.026	0.000	0.000	0.000
377	A	411	PRO	0	-0.047	-0.019	53.527	0.000	0.000	0.000	0.000	0.000
378	A	412	ILE	0	-0.044	-0.038	52.371	0.001	0.001	0.000	0.000	0.000
379	A	413	ILE	0	0.039	0.034	56.020	-0.001	-0.001	0.000	0.000	0.000
380	A	414	LEU	0	-0.052	-0.025	55.824	0.001	0.001	0.000	0.000	0.000
381	A	415	NME	0	0.010	0.006	59.225	-0.001	-0.001	0.000	0.000	0.000
382	A	424	ACE	0	-0.012	-0.017	48.601	0.000	0.000	0.000	0.000	0.000
383	A	425	ILE	0	0.013	-0.001	48.275	-0.001	-0.001	0.000	0.000	0.000
384	A	426	ALA	0	0.008	0.018	44.698	0.001	0.001	0.000	0.000	0.000
385	A	427	LEU	0	0.003	-0.007	42.166	-0.002	-0.002	0.000	0.000	0.000
386	A	428	GLN	0	-0.039	-0.025	45.276	-0.001	-0.001	0.000	0.000	0.000
387	A	429	ASP	-1	-0.853	-0.918	46.343	0.035	0.035	0.000	0.000	0.000
388	A	430	ARG	1	0.815	0.900	47.968	-0.037	-0.037	0.000	0.000	0.000
389	A	431	LEU	0	-0.006	-0.010	43.050	0.000	0.000	0.000	0.000	0.000
390	A	432	GLU	-1	-0.780	-0.886	46.650	0.042	0.042	0.000	0.000	0.000
391	A	433	ALA	0	-0.009	0.009	48.574	-0.001	-0.001	0.000	0.000	0.000
392	A	434	ILE	0	-0.008	-0.015	48.991	-0.001	-0.001	0.000	0.000	0.000
393	A	435	ALA	0	0.025	0.012	46.773	0.000	0.000	0.000	0.000	0.000
394	A	436	GLN	0	0.024	-0.002	48.779	-0.002	-0.002	0.000	0.000	0.000
395	A	437	ARG	1	0.883	0.952	51.374	-0.030	-0.030	0.000	0.000	0.000
396	A	438	ALA	0	-0.002	0.006	50.175	-0.001	-0.001	0.000	0.000	0.000
397	A	439	MET	0	-0.003	0.000	47.588	0.000	0.000	0.000	0.000	0.000
398	A	440	LYS	1	0.845	0.930	51.444	-0.031	-0.031	0.000	0.000	0.000
399	A	441	TRP	0	0.030	0.008	55.079	-0.001	-0.001	0.000	0.000	0.000
400	A	442	ALA	0	-0.003	0.005	51.794	-0.001	-0.001	0.000	0.000	0.000
401	A	443	ASN	0	-0.028	-0.027	53.739	0.000	0.000	0.000	0.000	0.000
402	A	444	LEU	0	-0.029	-0.005	55.042	-0.001	-0.001	0.000	0.000	0.000
403	A	445	ARG	1	0.847	0.932	54.966	-0.028	-0.028	0.000	0.000	0.000
404	A	446	LYS	1	0.839	0.935	49.605	-0.036	-0.036	0.000	0.000	0.000
405	A	447	LYS	1	0.836	0.934	55.420	-0.027	-0.027	0.000	0.000	0.000
406	A	448	PRO	0	0.034	0.016	57.925	-0.001	-0.001	0.000	0.000	0.000
407	A	449	LYS	1	0.950	0.982	60.667	-0.021	-0.021	0.000	0.000	0.000
408	A	450	LEU	0	-0.035	-0.021	64.131	0.000	0.000	0.000	0.000	0.000
409	A	451	ASP	-1	-0.908	-0.953	61.239	0.024	0.024	0.000	0.000	0.000
410	A	452	LYS	1	0.734	0.882	60.931	-0.024	-0.024	0.000	0.000	0.000
411	A	453	LYS	1	0.847	0.922	63.462	-0.023	-0.023	0.000	0.000	0.000
412	A	454	VAL	0	0.005	0.008	64.913	0.001	0.001	0.000	0.000	0.000
413	A	455	ALA	0	-0.005	-0.003	67.238	-0.001	-0.001	0.000	0.000	0.000
414	A	456	ILE	0	-0.001	-0.008	69.056	0.000	0.000	0.000	0.000	0.000
415	A	457	THR	0	0.016	0.026	70.096	0.000	0.000	0.000	0.000	0.000
416	A	458	VAL	0	-0.017	0.005	72.886	0.000	0.000	0.000	0.000	0.000
417	A	459	PHE	0	-0.031	-0.016	71.589	0.000	0.000	0.000	0.000	0.000
418	A	460	SER	0	-0.036	-0.081	77.441	0.000	0.000	0.000	0.000	0.000
419	A	461	PHE	0	-0.015	0.013	80.763	0.000	0.000	0.000	0.000	0.000
420	A	462	PRO	0	0.050	-0.005	82.130	0.000	0.000	0.000	0.000	0.000
421	A	463	PRO	0	-0.019	0.007	85.012	0.000	0.000	0.000	0.000	0.000
422	A	464	ASP	-1	-0.827	-0.909	85.872	0.012	0.012	0.000	0.000	0.000
423	A	465	LYS	1	0.881	0.943	84.358	-0.013	-0.013	0.000	0.000	0.000
424	A	466	GLY	0	0.036	0.032	86.378	0.000	0.000	0.000	0.000	0.000
425	A	467	ASN	0	-0.067	-0.039	83.160	0.000	0.000	0.000	0.000	0.000
426	A	468	VAL	0	0.054	0.047	80.165	0.000	0.000	0.000	0.000	0.000
427	A	469	GLY	0	-0.041	-0.005	79.422	0.000	0.000	0.000	0.000	0.000
428	A	470	THR	0	-0.032	-0.015	78.276	0.000	0.000	0.000	0.000	0.000
429	A	471	ALA	0	0.057	0.034	80.702	0.000	0.000	0.000	0.000	0.000
430	A	472	ALA	0	-0.050	-0.031	80.142	0.000	0.000	0.000	0.000	0.000
431	A	473	TYR	0	-0.005	-0.009	81.516	0.000	0.000	0.000	0.000	0.000
432	A	474	LEU	0	0.012	0.005	78.213	0.000	0.000	0.000	0.000	0.000
433	A	475	ASP	-1	-0.825	-0.898	82.879	0.013	0.013	0.000	0.000	0.000
434	A	476	VAL	0	-0.011	-0.014	79.274	0.000	0.000	0.000	0.000	0.000
435	A	477	PHE	0	0.024	-0.019	80.595	0.000	0.000	0.000	0.000	0.000
436	A	478	GLY	0	0.028	0.018	82.489	0.000	0.000	0.000	0.000	0.000
437	A	479	SER	0	-0.017	-0.020	78.986	0.000	0.000	0.000	0.000	0.000
438	A	480	ILE	0	-0.016	-0.007	76.627	0.000	0.000	0.000	0.000	0.000
439	A	481	TYR	0	-0.016	-0.008	77.897	0.000	0.000	0.000	0.000	0.000
440	A	482	GLU	-1	-0.852	-0.931	79.820	0.014	0.014	0.000	0.000	0.000
441	A	483	VAL	0	-0.018	-0.004	73.518	0.000	0.000	0.000	0.000	0.000
442	A	484	MET	0	-0.037	-0.022	74.959	0.000	0.000	0.000	0.000	0.000
443	A	485	LYS	1	0.900	0.964	75.891	-0.014	-0.014	0.000	0.000	0.000
444	A	486	GLY	0	0.021	0.019	75.709	0.000	0.000	0.000	0.000	0.000
445	A	487	LEU	0	-0.017	-0.019	69.912	0.000	0.000	0.000	0.000	0.000
446	A	488	GLN	0	0.008	0.008	72.026	0.000	0.000	0.000	0.000	0.000
447	A	489	GLY	0	-0.049	-0.018	73.936	0.000	0.000	0.000	0.000	0.000
448	A	490	ASN	0	-0.041	-0.035	70.101	0.001	0.001	0.000	0.000	0.000
449	A	491	GLY	0	-0.052	-0.037	69.214	0.001	0.001	0.000	0.000	0.000
450	A	492	TYR	0	-0.007	-0.009	65.827	0.001	0.001	0.000	0.000	0.000
451	A	493	ASP	-1	-0.859	-0.910	68.873	0.018	0.018	0.000	0.000	0.000
452	A	494	VAL	0	-0.035	0.004	70.565	0.000	0.000	0.000	0.000	0.000
453	A	495	GLN	0	-0.060	-0.060	72.739	-0.001	-0.001	0.000	0.000	0.000
454	A	496	ASP	-1	-0.934	-0.977	75.824	0.015	0.015	0.000	0.000	0.000
455	A	497	LEU	0	-0.028	-0.017	78.736	0.000	0.000	0.000	0.000	0.000
456	A	498	PRO	0	0.006	0.009	80.239	0.000	0.000	0.000	0.000	0.000
457	A	499	GLY	0	0.042	0.024	83.544	0.000	0.000	0.000	0.000	0.000
458	A	500	SER	0	-0.018	-0.017	86.254	0.000	0.000	0.000	0.000	0.000
459	A	501	ALA	0	0.097	0.039	84.528	0.000	0.000	0.000	0.000	0.000
460	A	502	LYS	1	0.965	0.979	85.588	-0.011	-0.011	0.000	0.000	0.000
461	A	503	GLU	-1	-0.927	-0.959	86.560	0.012	0.012	0.000	0.000	0.000
462	A	504	LEU	0	-0.011	-0.003	79.595	0.000	0.000	0.000	0.000	0.000
463	A	505	MET	0	-0.004	0.001	83.096	0.000	0.000	0.000	0.000	0.000
464	A	506	GLU	-1	-0.859	-0.906	84.842	0.012	0.012	0.000	0.000	0.000
465	A	507	ALA	0	-0.052	-0.031	82.158	0.000	0.000	0.000	0.000	0.000
466	A	508	VAL	0	-0.079	-0.041	79.646	0.000	0.000	0.000	0.000	0.000
467	A	509	ILE	0	-0.043	-0.041	81.944	0.000	0.000	0.000	0.000	0.000
468	A	510	HIS	1	0.827	0.932	83.639	-0.013	-0.013	0.000	0.000	0.000
469	A	511	ASP	-1	-0.690	-0.856	87.474	0.011	0.011	0.000	0.000	0.000
470	A	512	ALA	0	0.011	0.009	88.183	0.000	0.000	0.000	0.000	0.000
471	A	513	GLN	0	-0.063	-0.052	89.986	0.000	0.000	0.000	0.000	0.000
472	A	514	ALA	0	0.010	0.020	93.102	0.000	0.000	0.000	0.000	0.000
473	A	515	GLN	0	-0.071	-0.019	94.836	0.000	0.000	0.000	0.000	0.000
474	A	516	TYR	0	-0.109	-0.073	95.969	0.000	0.000	0.000	0.000	0.000
475	A	517	ASN	0	-0.083	-0.038	92.930	0.000	0.000	0.000	0.000	0.000
476	A	518	SER	0	0.036	-0.002	91.872	0.000	0.000	0.000	0.000	0.000
477	A	519	PRO	0	-0.055	-0.012	88.998	0.000	0.000	0.000	0.000	0.000
478	A	520	GLU	-1	-0.945	-0.962	85.904	0.013	0.013	0.000	0.000	0.000
479	A	521	LEU	0	-0.034	-0.016	80.328	0.000	0.000	0.000	0.000	0.000
480	A	522	ASN	0	-0.034	-0.025	78.779	0.000	0.000	0.000	0.000	0.000
481	A	523	ILE	0	-0.014	-0.025	77.099	0.000	0.000	0.000	0.000	0.000
482	A	524	ALA	0	-0.047	-0.014	74.112	0.000	0.000	0.000	0.000	0.000
483	A	525	HIS	0	-0.002	-0.008	69.221	0.000	0.000	0.000	0.000	0.000
484	A	526	ARG	1	0.902	0.956	73.419	-0.015	-0.015	0.000	0.000	0.000
485	A	527	MET	0	-0.009	0.008	66.945	0.000	0.000	0.000	0.000	0.000
486	A	528	SER	0	0.065	0.051	68.543	0.000	0.000	0.000	0.000	0.000
487	A	529	VAL	0	0.082	0.026	68.193	0.001	0.001	0.000	0.000	0.000
488	A	530	GLU	-1	-0.865	-0.916	63.299	0.023	0.023	0.000	0.000	0.000
489	A	531	GLN	0	0.030	-0.001	64.371	0.000	0.000	0.000	0.000	0.000
490	A	532	TYR	0	-0.076	-0.074	64.186	0.001	0.001	0.000	0.000	0.000
491	A	533	GLU	-1	-0.899	-0.971	63.627	0.021	0.021	0.000	0.000	0.000
492	A	534	ARG	1	0.809	0.916	59.164	-0.023	-0.023	0.000	0.000	0.000
493	A	535	LEU	0	-0.049	-0.032	59.323	0.001	0.001	0.000	0.000	0.000
494	A	536	THR	0	-0.039	-0.015	60.420	0.001	0.001	0.000	0.000	0.000
495	A	537	PRO	0	0.058	0.033	56.780	-0.001	-0.001	0.000	0.000	0.000
496	A	538	TYR	0	-0.010	-0.005	59.501	0.000	0.000	0.000	0.000	0.000
497	A	539	SER	0	0.064	0.027	61.311	-0.001	-0.001	0.000	0.000	0.000
498	A	540	VAL	0	0.068	0.017	61.176	-0.001	-0.001	0.000	0.000	0.000
499	A	541	ARG	1	0.911	0.954	60.371	-0.024	-0.024	0.000	0.000	0.000
500	A	542	LEU	0	-0.029	0.001	64.661	0.000	0.000	0.000	0.000	0.000
501	A	543	GLU	-1	-0.864	-0.941	66.944	0.019	0.019	0.000	0.000	0.000
502	A	544	GLU	-1	-0.987	-0.978	68.841	0.017	0.017	0.000	0.000	0.000
503	A	545	ASN	0	-0.009	-0.019	70.570	-0.001	-0.001	0.000	0.000	0.000
504	A	546	TRP	0	-0.015	-0.013	71.421	-0.001	-0.001	0.000	0.000	0.000
505	A	547	GLY	0	-0.057	-0.015	72.584	0.000	0.000	0.000	0.000	0.000
506	A	548	LYS	1	0.860	0.924	67.558	-0.018	-0.018	0.000	0.000	0.000
507	A	549	PRO	0	0.015	0.032	68.405	0.000	0.000	0.000	0.000	0.000
508	A	550	PRO	0	-0.014	-0.012	71.733	0.000	0.000	0.000	0.000	0.000
509	A	551	GLY	0	0.038	0.017	73.674	0.000	0.000	0.000	0.000	0.000
510	A	552	HIS	1	0.878	0.916	75.891	-0.015	-0.015	0.000	0.000	0.000
511	A	553	LEU	0	0.053	0.037	77.029	0.000	0.000	0.000	0.000	0.000
512	A	554	ASN	0	0.044	0.021	75.160	0.000	0.000	0.000	0.000	0.000
513	A	555	SER	0	0.028	0.022	76.354	0.001	0.001	0.000	0.000	0.000
514	A	556	ASP	-1	-0.766	-0.855	78.126	0.015	0.015	0.000	0.000	0.000
515	A	557	GLY	0	-0.021	-0.008	79.036	0.000	0.000	0.000	0.000	0.000
516	A	558	GLN	0	-0.077	-0.048	76.434	0.000	0.000	0.000	0.000	0.000
517	A	559	ASN	0	-0.097	-0.071	73.786	0.001	0.001	0.000	0.000	0.000
518	A	560	LEU	0	-0.015	-0.009	70.022	0.000	0.000	0.000	0.000	0.000
519	A	561	LEU	0	-0.060	-0.039	73.420	0.000	0.000	0.000	0.000	0.000
520	A	562	ILE	0	-0.023	-0.002	70.599	0.000	0.000	0.000	0.000	0.000
521	A	563	TYR	0	0.029	0.008	73.937	0.000	0.000	0.000	0.000	0.000
522	A	564	GLY	0	0.056	0.024	75.391	0.000	0.000	0.000	0.000	0.000
523	A	565	LYS	1	0.914	0.970	76.027	-0.015	-0.015	0.000	0.000	0.000
524	A	566	GLU	-1	-0.942	-0.966	70.853	0.019	0.019	0.000	0.000	0.000
525	A	567	PHE	0	-0.005	-0.006	73.660	-0.001	-0.001	0.000	0.000	0.000
526	A	568	GLY	0	0.027	0.016	72.048	0.000	0.000	0.000	0.000	0.000
527	A	569	ASN	0	0.003	-0.001	66.590	0.000	0.000	0.000	0.000	0.000
528	A	570	VAL	0	0.015	0.007	68.650	0.001	0.001	0.000	0.000	0.000
529	A	571	PHE	0	-0.020	0.000	70.283	-0.001	-0.001	0.000	0.000	0.000
530	A	572	ILE	0	0.028	0.016	72.145	0.000	0.000	0.000	0.000	0.000
531	A	573	GLY	0	0.012	-0.006	73.381	0.000	0.000	0.000	0.000	0.000
532	A	574	VAL	0	0.007	-0.007	74.393	0.000	0.000	0.000	0.000	0.000
533	A	575	GLN	0	-0.023	-0.015	70.854	0.000	0.000	0.000	0.000	0.000
534	A	576	PRO	0	-0.022	-0.006	75.735	0.000	0.000	0.000	0.000	0.000
535	A	577	THR	0	0.041	0.015	77.784	0.000	0.000	0.000	0.000	0.000
536	A	578	PHE	0	0.048	0.019	73.006	0.000	0.000	0.000	0.000	0.000
537	A	579	GLY	0	-0.030	-0.019	75.065	0.000	0.000	0.000	0.000	0.000
538	A	580	TYR	0	-0.021	-0.037	75.416	0.000	0.000	0.000	0.000	0.000
539	A	581	GLU	-1	-0.880	-0.931	79.279	0.013	0.013	0.000	0.000	0.000
540	A	582	GLY	0	-0.039	-0.005	78.344	0.000	0.000	0.000	0.000	0.000
541	A	583	ASP	-1	-0.866	-0.971	78.154	0.014	0.014	0.000	0.000	0.000
542	A	584	PRO	0	0.040	0.033	80.119	0.000	0.000	0.000	0.000	0.000
543	A	585	MET	0	-0.059	-0.022	82.113	0.000	0.000	0.000	0.000	0.000
544	A	586	ARG	1	0.890	0.951	73.798	-0.015	-0.015	0.000	0.000	0.000
545	A	587	LEU	0	0.004	0.006	80.445	0.000	0.000	0.000	0.000	0.000
546	A	588	LEU	0	-0.030	-0.001	75.421	0.000	0.000	0.000	0.000	0.000
547	A	589	PHE	0	-0.016	-0.017	75.973	0.000	0.000	0.000	0.000	0.000
548	A	590	SER	0	0.005	0.018	71.679	0.000	0.000	0.000	0.000	0.000
549	A	591	ARG	1	0.951	0.959	69.692	-0.017	-0.017	0.000	0.000	0.000
550	A	592	SER	0	-0.064	-0.038	68.756	0.000	0.000	0.000	0.000	0.000
551	A	593	ALA	0	0.058	0.053	70.581	0.000	0.000	0.000	0.000	0.000
552	A	594	SER	0	0.016	-0.003	68.369	0.000	0.000	0.000	0.000	0.000
553	A	595	PRO	0	0.056	0.055	67.835	-0.001	-0.001	0.000	0.000	0.000
554	A	596	HIS	0	0.042	0.026	70.311	0.000	0.000	0.000	0.000	0.000
555	A	597	HIS	0	0.063	0.013	68.419	0.001	0.001	0.000	0.000	0.000
556	A	598	GLY	0	0.043	0.032	70.239	0.000	0.000	0.000	0.000	0.000
557	A	599	PHE	0	-0.006	0.008	69.192	0.000	0.000	0.000	0.000	0.000
558	A	600	ALA	0	0.054	0.016	66.313	0.000	0.000	0.000	0.000	0.000
559	A	601	ALA	0	-0.018	-0.015	66.875	0.001	0.001	0.000	0.000	0.000
560	A	602	TYR	0	0.016	0.001	68.099	0.000	0.000	0.000	0.000	0.000
561	A	603	TYR	0	0.046	0.000	64.889	0.000	0.000	0.000	0.000	0.000
562	A	604	THR	0	-0.059	-0.011	63.046	0.001	0.001	0.000	0.000	0.000
563	A	605	TYR	0	0.033	0.006	63.872	0.001	0.001	0.000	0.000	0.000
564	A	606	LEU	0	0.018	0.020	65.524	0.000	0.000	0.000	0.000	0.000
565	A	607	ASN	0	-0.072	-0.051	60.126	0.001	0.001	0.000	0.000	0.000
566	A	608	HIS	0	-0.001	-0.002	57.613	0.001	0.001	0.000	0.000	0.000
567	A	609	ILE	0	-0.075	-0.023	61.112	0.000	0.000	0.000	0.000	0.000
568	A	610	TRP	0	-0.015	0.006	64.053	0.000	0.000	0.000	0.000	0.000
569	A	611	LYS	1	0.812	0.906	58.796	-0.026	-0.026	0.000	0.000	0.000
570	A	612	ALA	0	0.029	0.017	62.337	0.000	0.000	0.000	0.000	0.000
571	A	613	ASP	-1	-0.822	-0.909	59.950	0.027	0.027	0.000	0.000	0.000
572	A	614	ALA	0	-0.019	-0.019	61.032	0.001	0.001	0.000	0.000	0.000
573	A	615	VAL	0	-0.017	0.003	63.644	-0.001	-0.001	0.000	0.000	0.000
574	A	616	LEU	0	-0.020	0.000	66.534	0.000	0.000	0.000	0.000	0.000
575	A	617	HIS	0	0.035	0.017	67.214	-0.001	-0.001	0.000	0.000	0.000
576	A	618	PHE	0	0.053	0.009	71.519	0.000	0.000	0.000	0.000	0.000
577	A	619	GLY	0	0.013	0.012	74.317	0.000	0.000	0.000	0.000	0.000
578	A	620	THR	0	-0.008	-0.019	75.047	0.000	0.000	0.000	0.000	0.000
579	A	621	HIS	0	0.033	0.053	75.854	-0.001	-0.001	0.000	0.000	0.000
580	A	622	GLY	0	0.035	0.042	74.870	0.000	0.000	0.000	0.000	0.000
581	A	623	SER	0	-0.004	-0.028	72.168	0.000	0.000	0.000	0.000	0.000
582	A	624	LEU	0	0.011	-0.003	72.317	0.000	0.000	0.000	0.000	0.000
583	A	625	GLU	-1	-0.790	-0.800	70.527	0.019	0.019	0.000	0.000	0.000
584	A	626	PHE	0	-0.034	-0.027	67.268	0.000	0.000	0.000	0.000	0.000
585	A	627	MET	0	-0.093	-0.033	68.747	0.000	0.000	0.000	0.000	0.000
586	A	628	PRO	0	0.007	0.016	69.682	-0.001	-0.001	0.000	0.000	0.000
587	A	629	GLY	0	0.012	-0.007	71.819	0.000	0.000	0.000	0.000	0.000
588	A	630	NME	0	-0.012	0.004	74.263	0.000	0.000	0.000	0.000	0.000
589	A	640	ACE	0	-0.033	-0.032	63.083	0.000	0.000	0.000	0.000	0.000
590	A	641	ASP	-1	-0.820	-0.911	59.662	0.025	0.025	0.000	0.000	0.000
591	A	642	ASN	0	-0.112	-0.062	58.306	0.001	0.001	0.000	0.000	0.000
592	A	643	LEU	0	0.018	0.010	61.018	0.000	0.000	0.000	0.000	0.000
593	A	644	ILE	0	-0.002	0.021	62.372	0.000	0.000	0.000	0.000	0.000
594	A	645	GLY	0	0.042	0.044	59.483	0.000	0.000	0.000	0.000	0.000
595	A	646	THR	0	-0.023	-0.018	54.477	0.000	0.000	0.000	0.000	0.000
596	A	647	ILE	0	-0.007	-0.004	57.188	0.001	0.001	0.000	0.000	0.000
597	A	648	PRO	0	0.023	0.009	58.477	0.000	0.000	0.000	0.000	0.000
598	A	649	ASN	0	0.032	0.013	60.963	-0.001	-0.001	0.000	0.000	0.000
599	A	650	LEU	0	-0.014	-0.009	64.055	0.000	0.000	0.000	0.000	0.000
600	A	651	TYR	0	-0.088	-0.130	66.769	0.000	0.000	0.000	0.000	0.000
601	A	652	TYR	0	0.000	-0.023	70.010	0.000	0.000	0.000	0.000	0.000
602	A	653	TYR	0	0.012	-0.015	71.465	0.000	0.000	0.000	0.000	0.000
603	A	654	ALA	0	0.037	0.041	74.347	0.000	0.000	0.000	0.000	0.000
604	A	655	ALA	0	0.047	0.005	75.782	0.000	0.000	0.000	0.000	0.000
605	A	656	ASN	0	-0.043	-0.007	76.761	0.000	0.000	0.000	0.000	0.000
606	A	657	ASN	0	0.027	-0.008	76.286	0.000	0.000	0.000	0.000	0.000
607	A	658	PRO	0	0.048	0.028	73.014	0.001	0.001	0.000	0.000	0.000
608	A	659	SER	0	0.021	0.020	71.778	0.000	0.000	0.000	0.000	0.000
609	A	660	GLU	-1	-0.863	-0.922	71.752	0.017	0.017	0.000	0.000	0.000
610	A	661	ALA	0	-0.003	0.017	70.607	0.001	0.001	0.000	0.000	0.000
611	A	662	THR	0	-0.027	-0.055	66.939	0.001	0.001	0.000	0.000	0.000
612	A	663	ILE	0	-0.021	-0.009	66.871	0.001	0.001	0.000	0.000	0.000
613	A	664	ALA	0	0.026	0.012	66.974	0.001	0.001	0.000	0.000	0.000
614	A	665	LYS	1	0.835	0.930	63.937	-0.020	-0.020	0.000	0.000	0.000
615	A	666	ARG	1	0.841	0.913	62.487	-0.020	-0.020	0.000	0.000	0.000
616	A	667	ARG	1	0.888	0.947	62.534	-0.020	-0.020	0.000	0.000	0.000
617	A	668	GLY	0	0.047	0.021	63.950	0.000	0.000	0.000	0.000	0.000
618	A	669	TYR	0	-0.059	-0.020	57.546	0.000	0.000	0.000	0.000	0.000
619	A	670	ALA	0	-0.022	0.014	61.483	0.000	0.000	0.000	0.000	0.000
620	A	671	SER	0	-0.036	-0.007	63.259	0.000	0.000	0.000	0.000	0.000
621	A	672	THR	0	-0.027	-0.040	64.930	0.000	0.000	0.000	0.000	0.000
622	A	673	ILE	0	-0.012	0.017	67.841	0.000	0.000	0.000	0.000	0.000
623	A	674	SER	0	0.015	0.008	70.588	0.000	0.000	0.000	0.000	0.000
624	A	675	TYR	0	-0.034	-0.046	73.992	0.000	0.000	0.000	0.000	0.000
625	A	676	LEU	0	0.022	-0.004	77.458	0.000	0.000	0.000	0.000	0.000
626	A	677	THR	0	-0.019	-0.005	80.806	0.000	0.000	0.000	0.000	0.000
627	A	678	PRO	0	-0.054	-0.029	83.494	0.000	0.000	0.000	0.000	0.000
628	A	679	PRO	0	0.033	0.027	86.801	0.000	0.000	0.000	0.000	0.000
629	A	680	ALA	0	-0.026	-0.003	88.646	0.000	0.000	0.000	0.000	0.000
630	A	681	GLU	-1	-0.887	-0.956	90.791	0.010	0.010	0.000	0.000	0.000
631	A	682	ASN	0	-0.031	-0.021	94.584	0.000	0.000	0.000	0.000	0.000
632	A	683	ALA	0	0.018	0.008	97.213	0.000	0.000	0.000	0.000	0.000
633	A	684	GLY	0	-0.011	0.004	98.489	0.000	0.000	0.000	0.000	0.000
634	A	685	LEU	0	-0.025	-0.011	102.078	0.000	0.000	0.000	0.000	0.000
635	A	686	TYR	0	-0.014	-0.044	102.397	0.000	0.000	0.000	0.000	0.000
636	A	687	LYS	1	0.986	0.983	107.134	-0.008	-0.008	0.000	0.000	0.000
637	A	688	GLY	0	0.119	0.066	110.315	0.000	0.000	0.000	0.000	0.000
638	A	689	LEU	0	0.065	0.022	105.259	0.000	0.000	0.000	0.000	0.000
639	A	690	GLN	0	-0.052	-0.027	108.968	0.000	0.000	0.000	0.000	0.000
640	A	691	GLU	-1	-0.931	-0.972	110.342	0.007	0.007	0.000	0.000	0.000
641	A	692	LEU	0	-0.018	-0.007	110.617	0.000	0.000	0.000	0.000	0.000
642	A	693	ASN	0	0.014	-0.002	109.269	0.000	0.000	0.000	0.000	0.000
643	A	694	GLU	-1	-0.914	-0.947	111.887	0.007	0.007	0.000	0.000	0.000
644	A	695	LEU	0	-0.024	-0.013	114.948	0.000	0.000	0.000	0.000	0.000
645	A	696	ILE	0	-0.013	0.001	111.648	0.000	0.000	0.000	0.000	0.000
646	A	697	GLY	0	0.015	0.019	114.882	0.000	0.000	0.000	0.000	0.000
647	A	698	SER	0	-0.113	-0.064	115.502	0.000	0.000	0.000	0.000	0.000
648	A	699	TYR	0	0.006	-0.029	117.295	0.000	0.000	0.000	0.000	0.000
649	A	700	GLN	0	0.086	0.018	117.527	0.000	0.000	0.000	0.000	0.000
650	A	701	THR	0	0.009	0.032	119.925	0.000	0.000	0.000	0.000	0.000
651	A	702	LEU	0	-0.017	-0.023	122.413	0.000	0.000	0.000	0.000	0.000
652	A	703	LYS	1	0.866	0.930	119.080	-0.006	-0.006	0.000	0.000	0.000
653	A	704	ASP	-1	-0.921	-0.940	123.122	0.006	0.006	0.000	0.000	0.000
654	A	705	SER	0	-0.143	-0.073	125.923	0.000	0.000	0.000	0.000	0.000
655	A	706	GLY	0	-0.006	0.003	127.946	0.000	0.000	0.000	0.000	0.000
656	A	707	ARG	1	0.844	0.928	127.872	-0.005	-0.005	0.000	0.000	0.000
657	A	708	GLY	0	0.056	0.024	124.471	0.000	0.000	0.000	0.000	0.000
658	A	709	ILE	0	-0.004	-0.002	124.082	0.000	0.000	0.000	0.000	0.000
659	A	710	GLN	0	0.037	-0.002	124.640	0.000	0.000	0.000	0.000	0.000
660	A	711	ILE	0	0.042	0.041	120.715	0.000	0.000	0.000	0.000	0.000
661	A	712	VAL	0	0.049	0.030	119.113	0.000	0.000	0.000	0.000	0.000
662	A	713	ASN	0	0.044	0.011	119.712	0.000	0.000	0.000	0.000	0.000
663	A	714	THR	0	0.023	0.019	120.187	0.000	0.000	0.000	0.000	0.000
664	A	715	ILE	0	-0.065	-0.031	115.265	0.000	0.000	0.000	0.000	0.000
665	A	716	MET	0	-0.040	-0.019	116.002	0.000	0.000	0.000	0.000	0.000
666	A	717	ASP	-1	-0.902	-0.947	116.428	0.006	0.006	0.000	0.000	0.000
667	A	718	GLN	0	-0.008	-0.008	113.407	0.000	0.000	0.000	0.000	0.000
668	A	719	ALA	0	-0.017	-0.018	112.252	0.000	0.000	0.000	0.000	0.000
669	A	720	ARG	1	0.952	0.975	111.832	-0.006	-0.006	0.000	0.000	0.000
670	A	721	ILE	0	-0.022	0.015	113.018	0.000	0.000	0.000	0.000	0.000
671	A	722	CYS	0	-0.111	-0.044	109.095	0.000	0.000	0.000	0.000	0.000
672	A	723	ASN	0	0.042	0.021	107.759	0.000	0.000	0.000	0.000	0.000
673	A	724	LEU	0	-0.032	-0.026	106.173	0.000	0.000	0.000	0.000	0.000
674	A	725	ASP	-1	-0.894	-0.952	108.736	0.007	0.007	0.000	0.000	0.000
675	A	726	GLN	0	-0.019	-0.024	106.075	0.000	0.000	0.000	0.000	0.000
676	A	727	ASP	-1	-0.844	-0.922	103.447	0.009	0.009	0.000	0.000	0.000
677	A	728	VAL	0	-0.030	-0.015	105.818	0.000	0.000	0.000	0.000	0.000
678	A	729	ASN	0	-0.021	-0.015	108.719	0.000	0.000	0.000	0.000	0.000
679	A	730	LEU	0	0.002	0.000	111.552	0.000	0.000	0.000	0.000	0.000
680	A	731	PRO	0	-0.010	0.015	114.691	0.000	0.000	0.000	0.000	0.000
681	A	732	ASP	-1	-0.886	-0.942	117.460	0.006	0.006	0.000	0.000	0.000
682	A	733	ILE	0	-0.067	-0.056	120.292	0.000	0.000	0.000	0.000	0.000
683	A	734	ASN	0	-0.055	-0.015	122.122	0.000	0.000	0.000	0.000	0.000
684	A	735	ALA	0	0.049	0.002	122.853	0.000	0.000	0.000	0.000	0.000
685	A	736	GLU	-1	-0.891	-0.951	124.069	0.005	0.005	0.000	0.000	0.000
686	A	737	GLU	-1	-0.972	-0.980	125.476	0.005	0.005	0.000	0.000	0.000
687	A	738	MET	0	-0.064	-0.005	119.596	0.000	0.000	0.000	0.000	0.000
688	A	739	ASP	-1	-0.866	-0.970	121.590	0.006	0.006	0.000	0.000	0.000
689	A	740	GLN	0	0.007	-0.023	121.410	0.000	0.000	0.000	0.000	0.000
690	A	741	GLY	0	0.024	0.028	118.857	0.000	0.000	0.000	0.000	0.000
691	A	742	GLN	0	0.038	0.034	117.281	0.000	0.000	0.000	0.000	0.000
692	A	743	ARG	1	0.894	0.949	117.674	-0.006	-0.006	0.000	0.000	0.000
693	A	744	ASP	-1	-0.827	-0.906	116.231	0.006	0.006	0.000	0.000	0.000
694	A	745	THR	0	-0.018	-0.005	112.312	0.000	0.000	0.000	0.000	0.000
695	A	746	ILE	0	0.013	0.026	112.873	0.000	0.000	0.000	0.000	0.000
696	A	747	VAL	0	0.005	-0.001	113.365	0.000	0.000	0.000	0.000	0.000
697	A	748	GLY	0	0.010	0.002	111.295	0.000	0.000	0.000	0.000	0.000
698	A	749	SER	0	-0.009	-0.028	108.844	0.000	0.000	0.000	0.000	0.000
699	A	750	VAL	0	-0.003	0.007	108.234	0.000	0.000	0.000	0.000	0.000
700	A	751	TYR	0	-0.002	-0.002	108.530	0.000	0.000	0.000	0.000	0.000
701	A	752	ARG	1	0.950	0.968	100.815	-0.008	-0.008	0.000	0.000	0.000
702	A	753	LYS	1	0.939	0.979	102.123	-0.008	-0.008	0.000	0.000	0.000
703	A	754	LEU	0	0.014	0.005	103.904	0.000	0.000	0.000	0.000	0.000
704	A	755	MET	0	-0.014	-0.003	103.585	0.000	0.000	0.000	0.000	0.000
705	A	756	GLU	-1	-0.905	-0.896	98.918	0.009	0.009	0.000	0.000	0.000
706	A	757	ILE	0	-0.017	-0.015	99.366	0.000	0.000	0.000	0.000	0.000
707	A	758	GLU	-1	-0.881	-0.938	100.096	0.009	0.009	0.000	0.000	0.000
708	A	759	SER	0	-0.028	-0.049	98.615	0.000	0.000	0.000	0.000	0.000
709	A	760	ARG	1	0.842	0.923	92.266	-0.010	-0.010	0.000	0.000	0.000
710	A	761	LEU	0	-0.001	0.007	90.654	0.000	0.000	0.000	0.000	0.000
711	A	762	LEU	0	-0.008	-0.031	90.800	0.000	0.000	0.000	0.000	0.000
712	A	763	PRO	0	-0.001	0.016	87.444	0.000	0.000	0.000	0.000	0.000
713	A	764	CYS	0	-0.055	-0.008	90.396	0.000	0.000	0.000	0.000	0.000
714	A	765	GLY	0	0.102	0.038	90.902	0.000	0.000	0.000	0.000	0.000
715	A	766	LEU	0	-0.080	-0.040	86.190	0.000	0.000	0.000	0.000	0.000
716	A	767	HIS	1	0.846	0.912	80.147	-0.014	-0.014	0.000	0.000	0.000
717	A	768	VAL	0	0.036	0.025	82.564	0.000	0.000	0.000	0.000	0.000
718	A	769	ILE	0	-0.040	-0.047	76.325	0.000	0.000	0.000	0.000	0.000
719	A	770	GLY	0	-0.036	-0.023	78.933	0.000	0.000	0.000	0.000	0.000
720	A	771	GLN	0	-0.037	-0.002	79.567	0.000	0.000	0.000	0.000	0.000
721	A	772	PRO	0	-0.033	0.005	81.843	0.000	0.000	0.000	0.000	0.000
722	A	773	PRO	0	0.003	0.008	83.847	0.000	0.000	0.000	0.000	0.000
723	A	774	SER	0	-0.001	-0.007	86.869	0.000	0.000	0.000	0.000	0.000
724	A	775	ALA	0	0.065	0.000	89.510	0.000	0.000	0.000	0.000	0.000
725	A	776	GLU	-1	-0.940	-0.981	90.540	0.010	0.010	0.000	0.000	0.000
726	A	777	GLU	-1	-0.877	-0.931	90.055	0.011	0.011	0.000	0.000	0.000
727	A	778	ALA	0	0.029	0.016	88.568	0.000	0.000	0.000	0.000	0.000
728	A	779	ILE	0	-0.025	-0.009	90.248	0.000	0.000	0.000	0.000	0.000
729	A	780	ALA	0	0.008	0.005	93.139	0.000	0.000	0.000	0.000	0.000
730	A	781	THR	0	0.036	0.014	86.716	0.000	0.000	0.000	0.000	0.000
731	A	782	LEU	0	0.001	-0.012	87.586	0.000	0.000	0.000	0.000	0.000
732	A	783	VAL	0	-0.022	-0.008	90.235	0.000	0.000	0.000	0.000	0.000
733	A	784	ASN	0	0.030	0.013	90.537	0.000	0.000	0.000	0.000	0.000
734	A	785	ILE	0	-0.023	0.009	85.393	0.000	0.000	0.000	0.000	0.000
735	A	786	ALA	0	-0.001	-0.005	88.593	0.000	0.000	0.000	0.000	0.000
736	A	787	SER	0	-0.072	-0.050	91.143	0.000	0.000	0.000	0.000	0.000
737	A	788	LEU	0	-0.026	-0.009	87.401	0.000	0.000	0.000	0.000	0.000
738	A	789	ASP	-1	-0.841	-0.914	89.015	0.010	0.010	0.000	0.000	0.000
739	A	790	ARG	1	0.771	0.865	83.546	-0.012	-0.012	0.000	0.000	0.000
740	A	791	GLU	-1	-0.870	-0.932	83.539	0.011	0.011	0.000	0.000	0.000
741	A	792	ASP	-1	-0.987	-0.992	78.877	0.013	0.013	0.000	0.000	0.000
742	A	793	GLU	-1	-0.966	-0.986	79.995	0.013	0.013	0.000	0.000	0.000
743	A	794	GLY	0	-0.070	-0.019	82.375	0.000	0.000	0.000	0.000	0.000
744	A	795	ILE	0	-0.084	-0.045	84.926	0.000	0.000	0.000	0.000	0.000
745	A	796	TRP	0	0.018	0.000	87.864	0.000	0.000	0.000	0.000	0.000
746	A	797	ALA	0	0.036	0.020	90.804	0.000	0.000	0.000	0.000	0.000
747	A	798	LEU	0	0.004	-0.013	92.474	0.000	0.000	0.000	0.000	0.000
748	A	799	PRO	0	0.037	0.017	94.918	0.000	0.000	0.000	0.000	0.000
749	A	800	THR	0	-0.019	0.003	93.935	0.000	0.000	0.000	0.000	0.000
750	A	801	LEU	0	0.034	0.016	93.773	0.000	0.000	0.000	0.000	0.000
751	A	802	ILE	0	-0.009	-0.001	97.634	0.000	0.000	0.000	0.000	0.000
752	A	803	ALA	0	0.014	0.031	100.139	0.000	0.000	0.000	0.000	0.000
753	A	804	GLU	-1	-0.926	-0.952	96.870	0.008	0.008	0.000	0.000	0.000
754	A	805	SER	0	-0.145	-0.088	101.258	0.000	0.000	0.000	0.000	0.000
755	A	806	ILE	0	-0.049	-0.024	103.392	0.000	0.000	0.000	0.000	0.000
756	A	807	GLY	0	-0.048	-0.015	104.908	0.000	0.000	0.000	0.000	0.000
757	A	808	ARG	1	0.811	0.887	103.989	-0.007	-0.007	0.000	0.000	0.000
758	A	809	ASN	0	0.096	0.042	97.827	0.000	0.000	0.000	0.000	0.000
759	A	810	MET	0	0.027	0.009	97.323	0.000	0.000	0.000	0.000	0.000
760	A	811	GLU	-1	-0.941	-0.967	96.233	0.009	0.009	0.000	0.000	0.000
761	A	812	GLU	-1	-0.975	-0.999	98.483	0.007	0.007	0.000	0.000	0.000
762	A	813	ILE	0	0.000	0.000	101.987	0.000	0.000	0.000	0.000	0.000
763	A	814	TYR	0	0.035	0.015	95.935	0.000	0.000	0.000	0.000	0.000
764	A	815	ARG	1	0.991	1.005	99.417	-0.008	-0.008	0.000	0.000	0.000
765	A	816	ASN	0	-0.077	-0.063	102.098	0.000	0.000	0.000	0.000	0.000
766	A	817	SER	0	-0.038	-0.015	103.158	0.000	0.000	0.000	0.000	0.000
767	A	818	ASP	-1	-0.860	-0.938	100.248	0.009	0.009	0.000	0.000	0.000
768	A	819	LYS	1	0.850	0.927	103.765	-0.007	-0.007	0.000	0.000	0.000
769	A	820	GLY	0	0.033	0.032	107.002	0.000	0.000	0.000	0.000	0.000
770	A	821	ILE	0	-0.036	-0.019	108.947	0.000	0.000	0.000	0.000	0.000
771	A	822	LEU	0	0.043	0.011	109.908	0.000	0.000	0.000	0.000	0.000
772	A	823	ALA	0	0.021	0.017	111.103	0.000	0.000	0.000	0.000	0.000
773	A	824	ASP	-1	-0.784	-0.885	106.672	0.007	0.007	0.000	0.000	0.000
774	A	825	VAL	0	-0.030	0.000	106.499	0.000	0.000	0.000	0.000	0.000
775	A	826	GLU	-1	-0.943	-0.985	106.925	0.007	0.007	0.000	0.000	0.000
776	A	827	LEU	0	-0.016	0.008	105.863	0.000	0.000	0.000	0.000	0.000
777	A	828	LEU	0	0.020	0.006	100.347	0.000	0.000	0.000	0.000	0.000
778	A	829	GLN	0	0.041	0.032	103.185	0.000	0.000	0.000	0.000	0.000
779	A	830	ASP	-1	-0.846	-0.859	104.892	0.008	0.008	0.000	0.000	0.000
780	A	831	ILE	0	0.029	0.003	100.516	0.000	0.000	0.000	0.000	0.000
781	A	832	THR	0	-0.041	-0.028	99.509	0.000	0.000	0.000	0.000	0.000
782	A	833	LEU	0	-0.031	-0.025	100.717	0.000	0.000	0.000	0.000	0.000
783	A	834	ALA	0	0.022	0.018	102.708	0.000	0.000	0.000	0.000	0.000
784	A	835	THR	0	-0.045	-0.036	96.333	0.000	0.000	0.000	0.000	0.000
785	A	836	ARG	1	0.828	0.913	97.827	-0.009	-0.009	0.000	0.000	0.000
786	A	837	ALA	0	0.034	0.028	98.630	0.000	0.000	0.000	0.000	0.000
787	A	838	ALA	0	-0.004	-0.002	98.426	0.000	0.000	0.000	0.000	0.000
788	A	839	VAL	0	0.016	0.000	93.160	0.000	0.000	0.000	0.000	0.000
789	A	840	ALA	0	0.033	0.011	95.096	0.000	0.000	0.000	0.000	0.000
790	A	841	ALA	0	-0.033	-0.017	97.318	0.000	0.000	0.000	0.000	0.000
791	A	842	LEU	0	-0.070	-0.033	90.511	0.000	0.000	0.000	0.000	0.000
792	A	843	VAL	0	0.026	0.007	91.933	0.000	0.000	0.000	0.000	0.000
793	A	844	GLN	0	0.007	-0.003	93.706	0.000	0.000	0.000	0.000	0.000
794	A	845	GLU	-1	-0.961	-0.972	95.119	0.009	0.009	0.000	0.000	0.000
795	A	846	GLN	0	-0.025	-0.027	88.034	0.000	0.000	0.000	0.000	0.000
796	A	847	ILE	0	0.038	0.039	91.652	0.000	0.000	0.000	0.000	0.000
797	A	848	ASN	0	-0.064	-0.025	93.543	0.000	0.000	0.000	0.000	0.000
798	A	849	ALA	0	-0.018	-0.011	92.273	0.000	0.000	0.000	0.000	0.000
799	A	850	ASP	-1	-0.955	-0.985	91.450	0.010	0.010	0.000	0.000	0.000
800	A	851	GLY	0	0.031	0.025	87.890	0.000	0.000	0.000	0.000	0.000
801	A	852	ARG	1	0.846	0.923	87.678	-0.010	-0.010	0.000	0.000	0.000
802	A	853	VAL	0	-0.065	-0.040	88.755	0.000	0.000	0.000	0.000	0.000
803	A	854	SER	0	-0.030	-0.004	83.975	0.000	0.000	0.000	0.000	0.000
804	A	855	PHE	0	0.066	0.029	82.421	0.000	0.000	0.000	0.000	0.000
805	A	856	VAL	0	0.010	-0.009	87.488	0.000	0.000	0.000	0.000	0.000
806	A	857	SER	0	-0.045	-0.044	88.555	0.000	0.000	0.000	0.000	0.000
807	A	858	LYS	1	0.876	0.939	83.457	-0.012	-0.012	0.000	0.000	0.000
808	A	859	LEU	0	-0.053	0.005	89.464	0.000	0.000	0.000	0.000	0.000
809	A	860	ASN	0	-0.008	-0.012	92.407	0.000	0.000	0.000	0.000	0.000
810	A	861	PHE	0	0.042	0.006	94.592	0.000	0.000	0.000	0.000	0.000
811	A	862	PHE	0	0.061	0.043	97.755	0.000	0.000	0.000	0.000	0.000
812	A	863	LYS	1	0.907	0.961	95.189	-0.009	-0.009	0.000	0.000	0.000
813	A	864	ILE	0	-0.058	-0.036	98.704	0.000	0.000	0.000	0.000	0.000
814	A	865	GLY	0	-0.003	0.004	101.314	0.000	0.000	0.000	0.000	0.000
815	A	866	LYS	1	0.914	0.963	100.879	-0.008	-0.008	0.000	0.000	0.000
816	A	867	LYS	1	0.982	0.984	101.246	-0.008	-0.008	0.000	0.000	0.000
817	A	868	ALA	0	0.044	0.029	97.150	0.000	0.000	0.000	0.000	0.000
818	A	869	PRO	0	0.036	0.020	97.708	0.000	0.000	0.000	0.000	0.000
819	A	870	TRP	0	0.094	0.044	93.692	0.000	0.000	0.000	0.000	0.000
820	A	871	VAL	0	-0.005	0.004	98.218	0.000	0.000	0.000	0.000	0.000
821	A	872	LYS	1	0.817	0.896	100.637	-0.008	-0.008	0.000	0.000	0.000
822	A	873	SER	0	0.003	0.002	101.525	0.000	0.000	0.000	0.000	0.000
823	A	874	LEU	0	0.053	0.035	99.163	0.000	0.000	0.000	0.000	0.000
824	A	875	CYS	0	-0.070	-0.015	103.528	0.000	0.000	0.000	0.000	0.000
825	A	876	ASP	-1	-0.899	-0.942	106.739	0.007	0.007	0.000	0.000	0.000
826	A	877	SER	0	-0.045	-0.018	105.353	0.000	0.000	0.000	0.000	0.000
827	A	878	GLY	0	-0.017	0.012	107.465	0.000	0.000	0.000	0.000	0.000
828	A	879	TYR	0	-0.099	-0.129	104.459	0.000	0.000	0.000	0.000	0.000
829	A	880	PRO	0	-0.024	-0.043	104.758	0.000	0.000	0.000	0.000	0.000
830	A	881	ASN	0	-0.056	-0.029	104.940	0.000	0.000	0.000	0.000	0.000
831	A	882	VAL	0	0.035	0.023	98.797	0.000	0.000	0.000	0.000	0.000
832	A	883	ASN	0	0.018	0.003	96.712	0.000	0.000	0.000	0.000	0.000
833	A	884	GLU	-1	-0.880	-0.962	97.086	0.008	0.008	0.000	0.000	0.000
834	A	885	GLU	-1	-0.995	-0.996	93.760	0.009	0.009	0.000	0.000	0.000
835	A	886	LYS	1	0.942	0.971	92.221	-0.009	-0.009	0.000	0.000	0.000
836	A	887	LEU	0	0.029	0.019	92.192	0.000	0.000	0.000	0.000	0.000
837	A	888	LYS	1	0.830	0.931	89.196	-0.010	-0.010	0.000	0.000	0.000
838	A	889	PRO	0	0.039	0.020	86.954	0.000	0.000	0.000	0.000	0.000
839	A	890	LEU	0	0.036	0.034	87.497	0.000	0.000	0.000	0.000	0.000
840	A	891	PHE	0	0.022	-0.019	88.886	0.000	0.000	0.000	0.000	0.000
841	A	892	GLU	-1	-0.912	-0.959	85.971	0.011	0.011	0.000	0.000	0.000
842	A	893	TYR	0	0.020	0.013	81.636	0.000	0.000	0.000	0.000	0.000
843	A	894	LEU	0	0.006	-0.001	85.225	0.000	0.000	0.000	0.000	0.000
844	A	895	GLU	-1	-0.685	-0.822	86.728	0.011	0.011	0.000	0.000	0.000
845	A	896	PHE	0	0.005	0.003	77.546	0.000	0.000	0.000	0.000	0.000
846	A	897	CYS	0	-0.025	-0.014	82.609	0.000	0.000	0.000	0.000	0.000
847	A	898	LEU	0	-0.034	-0.011	83.978	0.000	0.000	0.000	0.000	0.000
848	A	899	GLU	-1	-0.927	-0.963	80.033	0.013	0.013	0.000	0.000	0.000
849	A	900	GLN	0	-0.036	-0.029	78.152	0.001	0.001	0.000	0.000	0.000
850	A	901	VAL	0	-0.056	-0.034	80.745	0.000	0.000	0.000	0.000	0.000
851	A	902	CYS	0	-0.042	-0.014	83.275	0.000	0.000	0.000	0.000	0.000
852	A	903	ALA	0	-0.024	0.008	78.348	0.000	0.000	0.000	0.000	0.000
853	A	904	ASP	-1	-0.896	-0.944	79.023	0.015	0.015	0.000	0.000	0.000
854	A	905	ASN	0	0.005	-0.010	73.670	0.000	0.000	0.000	0.000	0.000
855	A	906	GLU	-1	-0.709	-0.845	73.585	0.016	0.016	0.000	0.000	0.000
856	A	907	PHE	0	0.051	0.053	72.867	0.001	0.001	0.000	0.000	0.000
857	A	908	GLY	0	0.030	0.012	71.517	0.001	0.001	0.000	0.000	0.000
858	A	909	GLY	0	0.027	0.010	69.318	0.001	0.001	0.000	0.000	0.000
859	A	910	LEU	0	-0.002	-0.010	68.087	0.001	0.001	0.000	0.000	0.000
860	A	911	LEU	0	-0.017	-0.008	67.535	0.001	0.001	0.000	0.000	0.000
861	A	912	GLN	0	0.017	0.009	65.021	0.001	0.001	0.000	0.000	0.000
862	A	913	ALA	0	0.011	0.010	63.493	0.001	0.001	0.000	0.000	0.000
863	A	914	LEU	0	0.020	0.006	62.618	0.001	0.001	0.000	0.000	0.000
864	A	915	GLU	-1	-0.907	-0.940	62.379	0.024	0.024	0.000	0.000	0.000
865	A	916	GLY	0	0.021	0.013	58.842	0.001	0.001	0.000	0.000	0.000
866	A	917	GLU	-1	-0.984	-0.997	58.574	0.024	0.024	0.000	0.000	0.000
867	A	918	TYR	0	-0.096	-0.078	59.722	0.000	0.000	0.000	0.000	0.000
868	A	919	VAL	0	0.010	0.001	61.523	-0.001	-0.001	0.000	0.000	0.000
869	A	920	LEU	0	-0.010	-0.012	64.619	0.000	0.000	0.000	0.000	0.000
870	A	921	PRO	0	0.062	0.039	64.139	-0.001	-0.001	0.000	0.000	0.000
871	A	922	GLY	0	-0.024	-0.022	66.953	0.000	0.000	0.000	0.000	0.000
872	A	923	PRO	0	-0.035	-0.011	70.225	0.000	0.000	0.000	0.000	0.000
873	A	924	GLY	0	0.075	0.038	72.329	0.000	0.000	0.000	0.000	0.000
874	A	925	GLY	0	-0.030	-0.047	74.401	0.000	0.000	0.000	0.000	0.000
875	A	926	ASP	-1	-0.791	-0.908	77.731	0.013	0.013	0.000	0.000	0.000
876	A	927	PRO	0	0.037	0.009	80.755	0.000	0.000	0.000	0.000	0.000
877	A	928	ILE	0	0.049	0.038	82.068	0.000	0.000	0.000	0.000	0.000
878	A	929	ARG	1	0.916	0.959	82.871	-0.012	-0.012	0.000	0.000	0.000
879	A	930	ASN	0	0.008	-0.002	76.107	0.000	0.000	0.000	0.000	0.000
880	A	931	PRO	0	0.062	0.030	79.651	0.000	0.000	0.000	0.000	0.000
881	A	932	ASN	0	-0.021	-0.004	75.298	0.000	0.000	0.000	0.000	0.000
882	A	933	VAL	0	-0.130	-0.043	75.496	0.001	0.001	0.000	0.000	0.000
883	A	934	LEU	0	-0.069	0.000	76.413	0.000	0.000	0.000	0.000	0.000
884	A	935	PRO	0	-0.007	-0.008	74.973	0.000	0.000	0.000	0.000	0.000
885	A	936	THR	0	-0.064	-0.048	75.314	0.000	0.000	0.000	0.000	0.000
886	A	937	GLY	0	0.008	0.000	73.234	0.000	0.000	0.000	0.000	0.000
887	A	938	LYS	1	0.899	0.959	69.888	-0.017	-0.017	0.000	0.000	0.000
888	A	939	ASN	0	0.026	0.004	64.021	-0.001	-0.001	0.000	0.000	0.000
889	A	940	ILE	0	-0.011	0.001	67.836	0.000	0.000	0.000	0.000	0.000
890	A	941	HIS	1	0.866	0.934	66.954	-0.018	-0.018	0.000	0.000	0.000
891	A	942	ALA	0	0.068	0.039	68.815	-0.001	-0.001	0.000	0.000	0.000
892	A	943	LEU	0	0.009	0.009	69.433	0.000	0.000	0.000	0.000	0.000
893	A	944	ASP	-1	-0.793	-0.912	66.292	0.019	0.019	0.000	0.000	0.000
894	A	945	PRO	0	0.043	0.067	66.272	-0.001	-0.001	0.000	0.000	0.000
895	A	946	GLN	0	-0.019	-0.006	64.112	-0.001	-0.001	0.000	0.000	0.000
896	A	947	SER	0	-0.049	-0.054	69.095	0.000	0.000	0.000	0.000	0.000
897	A	948	ILE	0	-0.038	0.022	71.303	-0.001	-0.001	0.000	0.000	0.000
898	A	949	PRO	0	-0.007	-0.026	73.703	0.000	0.000	0.000	0.000	0.000
899	A	950	THR	0	0.060	0.030	75.930	0.000	0.000	0.000	0.000	0.000
900	A	951	LEU	0	0.024	-0.015	77.820	0.000	0.000	0.000	0.000	0.000
901	A	952	ALA	0	0.030	0.023	80.580	0.000	0.000	0.000	0.000	0.000
902	A	953	ALA	0	0.051	0.041	80.263	0.000	0.000	0.000	0.000	0.000
903	A	954	VAL	0	0.018	-0.009	80.451	0.000	0.000	0.000	0.000	0.000
904	A	955	GLN	0	-0.036	-0.007	83.208	0.000	0.000	0.000	0.000	0.000
905	A	956	SER	0	-0.002	-0.003	85.541	0.000	0.000	0.000	0.000	0.000
906	A	957	ALA	0	0.007	-0.011	84.541	0.000	0.000	0.000	0.000	0.000
907	A	958	LYS	1	0.929	0.958	85.686	-0.011	-0.011	0.000	0.000	0.000
908	A	959	VAL	0	0.012	0.029	89.107	0.000	0.000	0.000	0.000	0.000
909	A	960	VAL	0	0.015	0.007	89.205	0.000	0.000	0.000	0.000	0.000
910	A	961	VAL	0	-0.002	-0.002	88.128	0.000	0.000	0.000	0.000	0.000
911	A	962	ASP	-1	-0.911	-0.950	91.239	0.009	0.009	0.000	0.000	0.000
912	A	963	ARG	1	0.915	0.961	94.266	-0.009	-0.009	0.000	0.000	0.000
913	A	964	LEU	0	-0.006	0.001	91.378	0.000	0.000	0.000	0.000	0.000
914	A	965	LEU	0	-0.029	-0.024	92.722	0.000	0.000	0.000	0.000	0.000
915	A	966	GLU	-1	-0.996	-0.989	96.303	0.008	0.008	0.000	0.000	0.000
916	A	967	ARG	1	0.802	0.879	98.527	-0.009	-0.009	0.000	0.000	0.000
917	A	968	GLN	0	0.054	0.025	96.469	0.000	0.000	0.000	0.000	0.000
918	A	969	ARG	1	0.809	0.906	99.406	-0.008	-0.008	0.000	0.000	0.000
919	A	970	ALA	0	-0.031	-0.001	101.761	0.000	0.000	0.000	0.000	0.000
920	A	971	GLU	-1	-0.915	-0.949	102.367	0.008	0.008	0.000	0.000	0.000
921	A	972	ASN	0	-0.051	-0.033	100.547	0.000	0.000	0.000	0.000	0.000
922	A	973	GLY	0	0.020	0.015	104.125	0.000	0.000	0.000	0.000	0.000
923	A	974	GLY	0	-0.005	0.000	104.415	0.000	0.000	0.000	0.000	0.000
924	A	975	ASN	0	-0.023	-0.007	101.447	0.000	0.000	0.000	0.000	0.000
925	A	976	TYR	0	0.003	-0.012	96.187	0.000	0.000	0.000	0.000	0.000
926	A	977	PRO	0	-0.020	0.008	94.378	0.000	0.000	0.000	0.000	0.000
927	A	978	GLU	-1	-0.774	-0.882	93.906	0.009	0.009	0.000	0.000	0.000
928	A	979	THR	0	-0.015	-0.027	88.899	0.000	0.000	0.000	0.000	0.000
929	A	980	ILE	0	-0.032	-0.003	89.061	0.000	0.000	0.000	0.000	0.000
930	A	981	ALA	0	0.025	0.019	87.331	0.000	0.000	0.000	0.000	0.000
931	A	982	SER	0	0.005	-0.016	84.975	0.000	0.000	0.000	0.000	0.000
932	A	983	VAL	0	-0.020	0.005	82.063	0.000	0.000	0.000	0.000	0.000
933	A	984	LEU	0	-0.015	0.007	78.319	0.000	0.000	0.000	0.000	0.000
934	A	985	TRP	0	0.022	0.003	78.649	0.001	0.001	0.000	0.000	0.000
935	A	986	GLY	0	0.004	0.002	75.145	0.000	0.000	0.000	0.000	0.000
936	A	987	THR	0	-0.035	-0.047	76.028	0.000	0.000	0.000	0.000	0.000
937	A	988	ASP	-1	-0.729	-0.871	77.811	0.013	0.013	0.000	0.000	0.000
938	A	989	ASN	0	-0.019	-0.022	76.882	0.000	0.000	0.000	0.000	0.000
939	A	990	ILE	0	-0.024	-0.019	73.047	0.000	0.000	0.000	0.000	0.000
940	A	991	LYS	1	0.748	0.864	76.047	-0.014	-0.014	0.000	0.000	0.000
941	A	992	THR	0	-0.002	0.015	79.134	0.000	0.000	0.000	0.000	0.000
942	A	993	TYR	0	0.000	-0.005	75.484	0.000	0.000	0.000	0.000	0.000
943	A	994	GLY	0	0.022	-0.004	77.774	0.000	0.000	0.000	0.000	0.000
944	A	995	GLU	-1	-0.843	-0.933	78.643	0.012	0.012	0.000	0.000	0.000
945	A	996	SER	0	0.005	-0.011	81.866	0.000	0.000	0.000	0.000	0.000
946	A	997	LEU	0	-0.028	-0.010	75.933	0.000	0.000	0.000	0.000	0.000
947	A	998	ALA	0	0.013	-0.010	80.249	0.000	0.000	0.000	0.000	0.000
948	A	999	GLN	0	0.002	0.006	81.750	0.000	0.000	0.000	0.000	0.000
949	A	1000	ILE	0	0.034	0.014	81.575	0.000	0.000	0.000	0.000	0.000
950	A	1001	MET	0	-0.049	-0.017	76.710	0.000	0.000	0.000	0.000	0.000
951	A	1002	TRP	0	0.097	0.052	82.334	0.000	0.000	0.000	0.000	0.000
952	A	1003	MET	0	-0.003	0.030	85.695	0.000	0.000	0.000	0.000	0.000
953	A	1004	VAL	0	0.040	0.044	82.520	0.000	0.000	0.000	0.000	0.000
954	A	1005	GLY	0	0.009	0.003	85.911	0.000	0.000	0.000	0.000	0.000
955	A	1006	ALA	0	-0.028	-0.023	80.565	0.000	0.000	0.000	0.000	0.000
956	A	1007	LYS	1	0.967	0.973	79.885	-0.011	-0.011	0.000	0.000	0.000
957	A	1008	PRO	0	0.040	0.022	76.072	0.000	0.000	0.000	0.000	0.000
958	A	1009	VAL	0	-0.049	-0.033	73.887	0.000	0.000	0.000	0.000	0.000
959	A	1010	PRO	0	0.014	-0.001	72.401	0.000	0.000	0.000	0.000	0.000
960	A	1011	ASP	-1	-0.906	-0.941	66.955	0.016	0.016	0.000	0.000	0.000
961	A	1012	ALA	0	-0.023	-0.030	68.050	0.000	0.000	0.000	0.000	0.000
962	A	1013	LEU	0	-0.084	-0.041	63.297	0.000	0.000	0.000	0.000	0.000
963	A	1014	GLY	0	0.063	0.038	67.740	0.000	0.000	0.000	0.000	0.000
964	A	1015	ARG	1	0.890	0.952	62.573	-0.019	-0.019	0.000	0.000	0.000
965	A	1016	VAL	0	0.021	0.007	68.950	0.000	0.000	0.000	0.000	0.000
966	A	1017	ASN	0	-0.043	-0.025	66.140	0.000	0.000	0.000	0.000	0.000
967	A	1018	LYS	1	0.911	0.969	69.695	-0.014	-0.014	0.000	0.000	0.000
968	A	1019	ILE	0	-0.030	-0.012	72.269	0.000	0.000	0.000	0.000	0.000
969	A	1020	GLU	-1	-0.964	-0.969	75.879	0.012	0.012	0.000	0.000	0.000
970	A	1021	LEU	0	-0.011	-0.004	78.667	0.000	0.000	0.000	0.000	0.000
971	A	1022	VAL	0	-0.025	0.004	82.205	0.000	0.000	0.000	0.000	0.000
972	A	1023	PRO	0	0.009	-0.001	85.043	0.000	0.000	0.000	0.000	0.000
973	A	1024	LEU	0	0.060	0.010	87.972	0.000	0.000	0.000	0.000	0.000
974	A	1025	GLU	-1	-1.033	-1.006	91.176	0.008	0.008	0.000	0.000	0.000
975	A	1026	GLU	-1	-0.895	-0.950	86.744	0.010	0.010	0.000	0.000	0.000
976	A	1027	LEU	0	-0.071	-0.026	88.551	0.000	0.000	0.000	0.000	0.000
977	A	1028	GLY	0	0.009	0.013	91.146	0.000	0.000	0.000	0.000	0.000
978	A	1029	ARG	1	0.744	0.853	89.215	-0.010	-0.010	0.000	0.000	0.000
979	A	1030	PRO	0	0.010	0.001	93.213	0.000	0.000	0.000	0.000	0.000
980	A	1031	ARG	1	0.719	0.835	86.338	-0.010	-0.010	0.000	0.000	0.000
981	A	1032	ILE	0	-0.037	-0.017	89.587	0.000	0.000	0.000	0.000	0.000
982	A	1033	ASP	-1	-0.758	-0.840	86.612	0.011	0.011	0.000	0.000	0.000
983	A	1034	VAL	0	-0.022	-0.014	83.401	0.000	0.000	0.000	0.000	0.000
984	A	1035	VAL	0	0.033	0.008	84.058	0.000	0.000	0.000	0.000	0.000
985	A	1036	VAL	0	-0.002	0.001	79.923	0.000	0.000	0.000	0.000	0.000
986	A	1037	ASN	0	0.038	0.013	80.535	0.001	0.001	0.000	0.000	0.000
987	A	1038	CYS	0	0.008	0.012	76.145	0.000	0.000	0.000	0.000	0.000
988	A	1039	SER	0	-0.002	0.011	76.733	0.000	0.000	0.000	0.000	0.000
989	A	1040	GLY	0	0.057	0.014	73.439	0.000	0.000	0.000	0.000	0.000
990	A	1041	VAL	0	0.048	0.020	71.900	0.000	0.000	0.000	0.000	0.000
991	A	1042	PHE	0	0.011	-0.008	71.859	0.000	0.000	0.000	0.000	0.000
992	A	1043	ARG	1	0.844	0.930	69.784	-0.017	-0.017	0.000	0.000	0.000
993	A	1044	ASP	-1	-0.844	-0.878	68.018	0.019	0.019	0.000	0.000	0.000
994	A	1045	LEU	0	-0.097	-0.044	67.320	0.001	0.001	0.000	0.000	0.000
995	A	1046	PHE	0	0.006	-0.007	68.741	0.000	0.000	0.000	0.000	0.000
996	A	1047	ILE	0	0.051	0.041	66.479	0.000	0.000	0.000	0.000	0.000
997	A	1048	ASN	0	-0.029	-0.034	67.333	0.000	0.000	0.000	0.000	0.000
998	A	1049	GLN	0	0.012	-0.006	69.106	-0.001	-0.001	0.000	0.000	0.000
999	A	1050	MET	0	-0.017	0.003	72.232	0.000	0.000	0.000	0.000	0.000
1000	A	1051	ASN	0	0.009	0.002	69.577	0.000	0.000	0.000	0.000	0.000
1001	A	1052	LEU	0	-0.004	0.003	71.453	0.000	0.000	0.000	0.000	0.000
1002	A	1053	LEU	0	0.011	0.002	74.028	0.000	0.000	0.000	0.000	0.000
1003	A	1054	ASP	-1	-0.744	-0.845	74.290	0.013	0.013	0.000	0.000	0.000
1004	A	1055	GLN	0	-0.009	-0.010	71.244	0.000	0.000	0.000	0.000	0.000
1005	A	1056	ALA	0	-0.007	0.000	75.729	0.000	0.000	0.000	0.000	0.000
1006	A	1057	VAL	0	0.029	0.009	79.010	0.000	0.000	0.000	0.000	0.000
1007	A	1058	LYS	1	0.886	0.934	74.959	-0.014	-0.014	0.000	0.000	0.000
1008	A	1059	LEU	0	-0.012	0.002	77.068	0.000	0.000	0.000	0.000	0.000
1009	A	1060	ALA	0	0.002	0.003	80.373	0.000	0.000	0.000	0.000	0.000
1010	A	1061	ALA	0	0.025	0.016	82.770	0.000	0.000	0.000	0.000	0.000
1011	A	1062	GLU	-1	-0.914	-0.956	78.711	0.011	0.011	0.000	0.000	0.000
1012	A	1063	ALA	0	-0.026	0.003	83.277	0.000	0.000	0.000	0.000	0.000
1013	A	1064	ASP	-1	-0.972	-0.981	85.393	0.008	0.008	0.000	0.000	0.000
1014	A	1065	GLU	-1	-0.799	-0.866	88.006	0.009	0.009	0.000	0.000	0.000
1015	A	1066	PRO	0	-0.014	-0.013	90.922	0.000	0.000	0.000	0.000	0.000
1016	A	1067	LEU	0	0.071	0.020	91.691	0.000	0.000	0.000	0.000	0.000
1017	A	1068	GLU	-1	-0.915	-0.958	93.999	0.008	0.008	0.000	0.000	0.000
1018	A	1069	MET	0	-0.085	-0.047	94.123	0.000	0.000	0.000	0.000	0.000
1019	A	1070	ASN	0	-0.024	-0.028	87.138	0.000	0.000	0.000	0.000	0.000
1020	A	1071	PHE	0	0.070	0.027	91.160	0.000	0.000	0.000	0.000	0.000
1021	A	1072	VAL	0	0.003	0.026	84.575	0.000	0.000	0.000	0.000	0.000
1022	A	1073	ARG	1	0.916	0.954	85.732	-0.009	-0.009	0.000	0.000	0.000
1023	A	1074	LYS	1	0.815	0.911	88.118	-0.008	-0.008	0.000	0.000	0.000
1024	A	1075	HIS	1	0.816	0.868	88.954	-0.009	-0.009	0.000	0.000	0.000
1025	A	1076	ALA	0	0.034	0.026	84.849	0.000	0.000	0.000	0.000	0.000
1026	A	1077	LEU	0	-0.057	-0.038	86.715	0.000	0.000	0.000	0.000	0.000
1027	A	1078	GLU	-1	-0.917	-0.941	88.562	0.008	0.008	0.000	0.000	0.000
1028	A	1079	GLN	0	0.053	0.008	86.458	0.000	0.000	0.000	0.000	0.000
1029	A	1080	ALA	0	-0.033	-0.022	84.724	0.000	0.000	0.000	0.000	0.000
1030	A	1081	GLU	-1	-0.994	-0.982	85.818	0.008	0.008	0.000	0.000	0.000
1031	A	1082	GLU	-1	-0.936	-0.971	88.615	0.009	0.009	0.000	0.000	0.000
1032	A	1083	MET	0	-0.083	-0.032	82.195	0.000	0.000	0.000	0.000	0.000
1033	A	1084	GLY	0	-0.029	0.009	83.968	0.000	0.000	0.000	0.000	0.000
1034	A	1085	ILE	0	-0.038	-0.013	80.235	0.000	0.000	0.000	0.000	0.000
1035	A	1086	GLY	0	-0.002	-0.007	80.360	0.000	0.000	0.000	0.000	0.000
1036	A	1087	VAL	0	0.040	-0.004	81.431	0.000	0.000	0.000	0.000	0.000
1037	A	1088	ARG	1	0.818	0.890	73.776	-0.013	-0.013	0.000	0.000	0.000
1038	A	1089	GLU	-1	-0.943	-0.971	77.171	0.012	0.012	0.000	0.000	0.000
1039	A	1090	ALA	0	0.053	0.035	78.767	0.000	0.000	0.000	0.000	0.000
1040	A	1091	ALA	0	-0.023	-0.003	81.015	0.000	0.000	0.000	0.000	0.000
1041	A	1092	THR	0	-0.036	-0.020	77.986	0.000	0.000	0.000	0.000	0.000
1042	A	1093	ARG	1	0.773	0.849	79.772	-0.011	-0.011	0.000	0.000	0.000
1043	A	1094	ILE	0	-0.023	-0.001	76.092	0.000	0.000	0.000	0.000	0.000
1044	A	1095	PHE	0	0.067	0.042	76.839	0.000	0.000	0.000	0.000	0.000
1045	A	1096	SER	0	-0.030	-0.030	74.339	0.000	0.000	0.000	0.000	0.000
1046	A	1097	ASN	0	-0.071	-0.040	74.311	0.000	0.000	0.000	0.000	0.000
1047	A	1098	ALA	0	0.063	0.039	71.208	0.000	0.000	0.000	0.000	0.000
1048	A	1099	SER	0	0.040	0.001	66.866	0.000	0.000	0.000	0.000	0.000
1049	A	1100	GLY	0	-0.024	-0.012	67.901	0.000	0.000	0.000	0.000	0.000
1050	A	1101	SER	0	-0.072	-0.021	68.450	0.000	0.000	0.000	0.000	0.000
1051	A	1102	TYR	0	-0.036	-0.089	69.063	0.000	0.000	0.000	0.000	0.000
1052	A	1103	SER	0	-0.001	0.013	74.892	0.000	0.000	0.000	0.000	0.000
1053	A	1104	SER	0	-0.003	-0.044	78.415	0.000	0.000	0.000	0.000	0.000
1054	A	1105	ASN	0	-0.017	-0.017	78.322	0.000	0.000	0.000	0.000	0.000
1055	A	1106	VAL	0	0.084	0.050	81.614	0.000	0.000	0.000	0.000	0.000
1056	A	1107	ASN	0	0.007	-0.004	80.620	0.000	0.000	0.000	0.000	0.000
1057	A	1108	LEU	0	-0.009	-0.011	78.751	0.000	0.000	0.000	0.000	0.000
1058	A	1109	ALA	0	0.012	0.014	83.425	0.000	0.000	0.000	0.000	0.000
1059	A	1110	VAL	0	-0.017	-0.013	86.322	0.000	0.000	0.000	0.000	0.000
1060	A	1111	GLU	-1	-0.904	-0.960	83.797	0.013	0.013	0.000	0.000	0.000
1061	A	1112	ASN	0	-0.079	-0.064	82.913	0.000	0.000	0.000	0.000	0.000
1062	A	1113	SER	0	-0.012	-0.006	87.348	0.000	0.000	0.000	0.000	0.000
1063	A	1114	SER	0	-0.043	-0.015	86.488	0.000	0.000	0.000	0.000	0.000
1064	A	1115	TRP	0	-0.052	-0.041	88.343	0.000	0.000	0.000	0.000	0.000
1065	A	1116	GLU	-1	-0.941	-0.961	90.734	0.010	0.010	0.000	0.000	0.000
1066	A	1117	ASP	-1	-0.816	-0.903	93.513	0.010	0.010	0.000	0.000	0.000
1067	A	1118	GLU	-1	-0.780	-0.872	92.842	0.010	0.010	0.000	0.000	0.000
1068	A	1119	SER	0	-0.083	-0.053	91.928	0.000	0.000	0.000	0.000	0.000
1069	A	1120	GLU	-1	-0.816	-0.903	88.836	0.011	0.011	0.000	0.000	0.000
1070	A	1121	LEU	0	-0.026	-0.007	87.609	0.000	0.000	0.000	0.000	0.000
1071	A	1122	GLN	0	0.031	-0.001	87.084	0.000	0.000	0.000	0.000	0.000
1072	A	1123	GLU	-1	-0.789	-0.868	85.418	0.012	0.012	0.000	0.000	0.000
1073	A	1124	MET	0	-0.065	-0.037	82.800	0.000	0.000	0.000	0.000	0.000
1074	A	1125	TYR	0	-0.001	-0.004	82.202	0.001	0.001	0.000	0.000	0.000
1075	A	1126	LEU	0	-0.007	0.002	82.503	0.000	0.000	0.000	0.000	0.000
1076	A	1127	LYS	1	0.865	0.956	80.046	-0.012	-0.012	0.000	0.000	0.000
1077	A	1128	ARG	1	0.825	0.917	75.789	-0.014	-0.014	0.000	0.000	0.000
1078	A	1129	LYS	1	0.899	0.952	77.518	-0.013	-0.013	0.000	0.000	0.000
1079	A	1130	SER	0	0.007	0.014	79.327	0.000	0.000	0.000	0.000	0.000
1080	A	1131	PHE	0	-0.051	-0.028	73.089	0.000	0.000	0.000	0.000	0.000
1081	A	1132	ALA	0	0.027	0.020	75.464	0.000	0.000	0.000	0.000	0.000
1082	A	1133	PHE	0	-0.021	-0.017	68.940	0.001	0.001	0.000	0.000	0.000
1083	A	1134	ASN	0	0.042	0.013	70.927	-0.001	-0.001	0.000	0.000	0.000
1084	A	1135	SER	0	-0.034	-0.046	70.102	0.000	0.000	0.000	0.000	0.000
1085	A	1136	ASP	-1	-0.875	-0.912	69.358	0.014	0.014	0.000	0.000	0.000
1086	A	1137	ASN	0	-0.101	-0.060	65.967	0.001	0.001	0.000	0.000	0.000
1087	A	1138	PRO	0	0.042	0.020	65.312	0.000	0.000	0.000	0.000	0.000
1088	A	1139	GLY	0	-0.088	-0.048	63.885	0.000	0.000	0.000	0.000	0.000
1089	A	1140	MET	0	-0.056	-0.014	64.882	0.001	0.001	0.000	0.000	0.000
1090	A	1141	MET	0	-0.037	-0.008	67.542	0.000	0.000	0.000	0.000	0.000
1091	A	1142	ASP	-1	-0.856	-0.924	70.180	0.016	0.016	0.000	0.000	0.000
1092	A	1143	GLN	0	-0.070	-0.041	72.448	0.000	0.000	0.000	0.000	0.000
1093	A	1144	ASN	0	0.015	-0.005	75.667	0.000	0.000	0.000	0.000	0.000
1094	A	1145	ARG	1	0.815	0.880	78.656	-0.012	-0.012	0.000	0.000	0.000
1095	A	1146	ASP	-1	-0.837	-0.914	81.879	0.011	0.011	0.000	0.000	0.000
1096	A	1147	MET	0	0.001	0.006	80.806	0.000	0.000	0.000	0.000	0.000
1097	A	1148	PHE	0	-0.042	-0.014	81.843	0.000	0.000	0.000	0.000	0.000
1098	A	1149	GLU	-1	-0.832	-0.938	83.609	0.010	0.010	0.000	0.000	0.000
1099	A	1150	ARG	1	0.860	0.936	86.094	-0.010	-0.010	0.000	0.000	0.000
1100	A	1151	ALA	0	0.013	0.009	85.167	0.000	0.000	0.000	0.000	0.000
1101	A	1152	LEU	0	-0.016	-0.009	85.823	0.000	0.000	0.000	0.000	0.000
1102	A	1153	LYS	1	0.905	0.956	88.846	-0.010	-0.010	0.000	0.000	0.000
1103	A	1154	THR	0	-0.051	-0.011	90.143	0.000	0.000	0.000	0.000	0.000
1104	A	1155	ALA	0	-0.025	-0.006	90.470	0.000	0.000	0.000	0.000	0.000
1105	A	1156	ASP	-1	-0.859	-0.934	92.399	0.009	0.009	0.000	0.000	0.000
1106	A	1157	ALA	0	-0.037	-0.024	93.560	0.000	0.000	0.000	0.000	0.000
1107	A	1158	THR	0	0.000	0.004	90.816	0.000	0.000	0.000	0.000	0.000
1108	A	1159	PHE	0	-0.018	-0.006	87.811	0.000	0.000	0.000	0.000	0.000
1109	A	1160	GLN	0	0.015	-0.011	85.925	0.001	0.001	0.000	0.000	0.000
1110	A	1161	ASN	0	-0.001	-0.002	84.889	0.000	0.000	0.000	0.000	0.000
1111	A	1162	LEU	0	-0.003	0.003	85.837	0.000	0.000	0.000	0.000	0.000
1112	A	1163	ASP	-1	-0.807	-0.856	81.491	0.014	0.014	0.000	0.000	0.000
1113	A	1164	SER	0	-0.012	-0.039	84.363	0.000	0.000	0.000	0.000	0.000
1114	A	1165	SER	0	0.047	0.031	86.627	0.000	0.000	0.000	0.000	0.000
1115	A	1166	GLU	-1	-0.822	-0.904	84.509	0.012	0.012	0.000	0.000	0.000
1116	A	1167	ILE	0	-0.064	-0.004	81.516	0.000	0.000	0.000	0.000	0.000
1117	A	1168	SER	0	0.040	-0.013	85.788	0.000	0.000	0.000	0.000	0.000
1118	A	1169	LEU	0	-0.024	-0.036	88.153	0.000	0.000	0.000	0.000	0.000
1119	A	1170	THR	0	0.024	0.010	89.850	0.000	0.000	0.000	0.000	0.000
1120	A	1171	ASP	-1	-0.762	-0.829	87.211	0.012	0.012	0.000	0.000	0.000
1121	A	1172	VAL	0	-0.059	-0.035	82.721	0.000	0.000	0.000	0.000	0.000
1122	A	1173	SER	0	0.052	0.010	83.879	0.000	0.000	0.000	0.000	0.000
1123	A	1174	HIS	1	0.847	0.930	81.264	-0.013	-0.013	0.000	0.000	0.000
1124	A	1175	TYR	0	-0.020	-0.002	83.362	0.000	0.000	0.000	0.000	0.000
1125	A	1176	PHE	0	0.113	0.067	86.054	0.000	0.000	0.000	0.000	0.000
1126	A	1177	ASP	-1	-0.773	-0.858	81.940	0.013	0.013	0.000	0.000	0.000
1127	A	1178	SER	0	-0.040	-0.013	82.279	0.000	0.000	0.000	0.000	0.000
1128	A	1179	ASP	-1	-0.781	-0.849	84.482	0.011	0.011	0.000	0.000	0.000
1129	A	1180	PRO	0	-0.032	0.002	87.363	0.000	0.000	0.000	0.000	0.000
1130	A	1181	THR	0	-0.016	-0.054	89.187	0.000	0.000	0.000	0.000	0.000
1131	A	1182	LYS	1	0.843	0.906	92.881	-0.010	-0.010	0.000	0.000	0.000
1132	A	1183	LEU	0	-0.025	-0.003	87.298	0.000	0.000	0.000	0.000	0.000
1133	A	1184	ILE	0	-0.002	-0.012	90.076	0.000	0.000	0.000	0.000	0.000
1134	A	1185	SER	0	-0.024	-0.006	92.733	0.000	0.000	0.000	0.000	0.000
1135	A	1186	THR	0	-0.058	-0.018	93.571	0.000	0.000	0.000	0.000	0.000
1136	A	1187	LEU	0	-0.068	-0.024	89.112	0.000	0.000	0.000	0.000	0.000
1137	A	1188	ARG	1	0.862	0.943	93.552	-0.009	-0.009	0.000	0.000	0.000
1138	A	1189	ASP	-1	-0.903	-0.939	96.149	0.008	0.008	0.000	0.000	0.000
1139	A	1190	ASP	-1	-0.913	-0.966	98.698	0.008	0.008	0.000	0.000	0.000
1140	A	1191	GLY	0	-0.005	0.005	99.283	0.000	0.000	0.000	0.000	0.000
1141	A	1192	LYS	1	0.886	0.951	99.327	-0.008	-0.008	0.000	0.000	0.000
1142	A	1193	ALA	0	0.025	0.002	97.877	0.000	0.000	0.000	0.000	0.000
1143	A	1194	PRO	0	-0.054	-0.008	93.949	0.000	0.000	0.000	0.000	0.000
1144	A	1195	ALA	0	0.032	0.025	96.887	0.000	0.000	0.000	0.000	0.000
1145	A	1196	ALA	0	0.033	0.007	94.398	0.000	0.000	0.000	0.000	0.000
1146	A	1197	TYR	0	-0.036	-0.043	93.573	0.000	0.000	0.000	0.000	0.000
1147	A	1198	ILE	0	-0.031	-0.026	90.243	0.000	0.000	0.000	0.000	0.000
1148	A	1199	ALA	0	-0.004	-0.001	89.160	0.000	0.000	0.000	0.000	0.000
1149	A	1200	ASP	-1	-0.795	-0.872	89.753	0.011	0.011	0.000	0.000	0.000
1150	A	1201	THR	0	0.005	-0.008	86.526	0.000	0.000	0.000	0.000	0.000
1151	A	1202	THR	0	-0.075	-0.050	87.328	0.000	0.000	0.000	0.000	0.000
1152	A	1203	THR	0	0.003	0.015	88.887	0.000	0.000	0.000	0.000	0.000
1153	A	1204	ALA	0	0.039	0.004	91.176	0.000	0.000	0.000	0.000	0.000
1154	A	1205	ASN	0	-0.052	-0.016	92.377	0.000	0.000	0.000	0.000	0.000
1155	A	1206	ALA	0	0.009	0.004	91.893	0.000	0.000	0.000	0.000	0.000
1156	A	1207	GLN	0	-0.040	-0.018	93.446	0.000	0.000	0.000	0.000	0.000
1157	A	1208	VAL	0	-0.006	-0.001	92.984	0.000	0.000	0.000	0.000	0.000
1158	A	1209	ARG	1	0.845	0.923	93.911	-0.010	-0.010	0.000	0.000	0.000
1159	A	1210	THR	0	0.076	0.033	95.735	0.000	0.000	0.000	0.000	0.000
1160	A	1211	LEU	0	0.009	-0.005	92.797	0.000	0.000	0.000	0.000	0.000
1161	A	1212	SER	0	0.032	0.006	95.859	0.000	0.000	0.000	0.000	0.000
1162	A	1213	GLU	-1	-0.795	-0.870	99.127	0.009	0.009	0.000	0.000	0.000
1163	A	1214	THR	0	-0.036	-0.022	93.044	0.000	0.000	0.000	0.000	0.000
1164	A	1215	VAL	0	0.021	0.012	94.944	0.000	0.000	0.000	0.000	0.000
1165	A	1216	ARG	1	0.832	0.906	96.765	-0.008	-0.008	0.000	0.000	0.000
1166	A	1217	LEU	0	-0.015	0.005	96.028	0.000	0.000	0.000	0.000	0.000
1167	A	1218	ASP	-1	-0.705	-0.822	92.620	0.011	0.011	0.000	0.000	0.000
1168	A	1219	ALA	0	0.000	0.008	96.072	0.000	0.000	0.000	0.000	0.000
1169	A	1220	ARG	1	0.870	0.940	98.806	-0.008	-0.008	0.000	0.000	0.000
1170	A	1221	THR	0	-0.036	-0.017	96.580	0.000	0.000	0.000	0.000	0.000
1171	A	1222	LYS	1	0.815	0.900	90.617	-0.011	-0.011	0.000	0.000	0.000
1172	A	1223	LEU	0	0.047	0.020	96.121	0.000	0.000	0.000	0.000	0.000
1173	A	1224	LEU	0	0.028	0.013	97.529	0.000	0.000	0.000	0.000	0.000
1174	A	1225	ASN	0	-0.065	-0.026	98.452	0.000	0.000	0.000	0.000	0.000
1175	A	1226	PRO	0	-0.001	-0.007	99.621	0.000	0.000	0.000	0.000	0.000
1176	A	1227	LYS	1	0.897	0.951	97.720	-0.009	-0.009	0.000	0.000	0.000
1177	A	1228	TRP	0	0.002	-0.001	91.456	0.000	0.000	0.000	0.000	0.000
1178	A	1229	TYR	0	0.019	-0.002	95.582	0.000	0.000	0.000	0.000	0.000
1179	A	1230	GLU	-1	-0.844	-0.908	97.026	0.009	0.009	0.000	0.000	0.000
1180	A	1231	GLY	0	0.028	0.033	95.328	0.000	0.000	0.000	0.000	0.000
1181	A	1232	MET	0	-0.065	-0.019	89.706	0.000	0.000	0.000	0.000	0.000
1182	A	1233	LEU	0	0.005	-0.011	92.907	0.000	0.000	0.000	0.000	0.000
1183	A	1234	SER	0	-0.102	-0.022	94.189	0.000	0.000	0.000	0.000	0.000
1184	A	1235	HIS	0	0.011	0.009	88.800	0.000	0.000	0.000	0.000	0.000
1185	A	1236	GLY	0	-0.038	-0.020	90.968	0.000	0.000	0.000	0.000	0.000
1186	A	1237	TYR	0	0.035	0.011	86.930	0.000	0.000	0.000	0.000	0.000
1187	A	1238	GLU	-1	-0.724	-0.873	84.635	0.014	0.014	0.000	0.000	0.000
1188	A	1239	GLY	0	0.053	0.031	88.712	0.000	0.000	0.000	0.000	0.000
1189	A	1240	VAL	0	0.021	0.001	91.527	0.000	0.000	0.000	0.000	0.000
1190	A	1241	ARG	1	0.802	0.915	84.389	-0.013	-0.013	0.000	0.000	0.000
1191	A	1242	GLU	-1	-0.872	-0.941	86.841	0.013	0.013	0.000	0.000	0.000
1192	A	1243	LEU	0	0.042	0.018	90.248	0.000	0.000	0.000	0.000	0.000
1193	A	1244	SER	0	0.002	0.003	91.095	0.000	0.000	0.000	0.000	0.000
1194	A	1245	LYS	1	0.876	0.951	84.780	-0.013	-0.013	0.000	0.000	0.000
1195	A	1246	ARG	1	0.799	0.885	88.514	-0.012	-0.012	0.000	0.000	0.000
1196	A	1247	LEU	0	0.019	0.023	92.201	0.000	0.000	0.000	0.000	0.000
1197	A	1248	VAL	0	0.024	0.011	89.301	0.000	0.000	0.000	0.000	0.000
1198	A	1249	ASN	0	-0.019	-0.047	87.379	0.000	0.000	0.000	0.000	0.000
1199	A	1250	THR	0	-0.059	-0.032	90.850	0.000	0.000	0.000	0.000	0.000
1200	A	1251	MET	0	0.043	0.039	92.360	0.000	0.000	0.000	0.000	0.000
1201	A	1252	GLY	0	0.013	0.000	90.888	0.000	0.000	0.000	0.000	0.000
1202	A	1253	TRP	0	-0.008	-0.023	89.710	0.000	0.000	0.000	0.000	0.000
1203	A	1254	SER	0	-0.004	0.023	93.698	0.000	0.000	0.000	0.000	0.000
1204	A	1255	ALA	0	0.038	0.023	92.505	0.000	0.000	0.000	0.000	0.000
1205	A	1256	THR	0	-0.065	-0.040	89.267	0.000	0.000	0.000	0.000	0.000
1206	A	1257	ALA	0	-0.002	-0.025	92.496	0.000	0.000	0.000	0.000	0.000
1207	A	1258	GLY	0	-0.055	-0.002	95.220	0.000	0.000	0.000	0.000	0.000
1208	A	1259	ALA	0	-0.040	-0.019	96.516	0.000	0.000	0.000	0.000	0.000
1209	A	1260	VAL	0	-0.042	-0.021	97.279	0.000	0.000	0.000	0.000	0.000
1210	A	1261	ASP	-1	-0.787	-0.856	99.890	0.008	0.008	0.000	0.000	0.000
1211	A	1262	ASN	0	0.070	0.022	103.256	0.000	0.000	0.000	0.000	0.000
1212	A	1263	TRP	0	0.007	-0.015	103.477	0.000	0.000	0.000	0.000	0.000
1213	A	1264	VAL	0	-0.003	0.021	99.626	0.000	0.000	0.000	0.000	0.000
1214	A	1265	TYR	0	0.029	-0.017	97.961	0.000	0.000	0.000	0.000	0.000
1215	A	1266	GLU	-1	-0.816	-0.858	102.874	0.008	0.008	0.000	0.000	0.000
1216	A	1267	ASP	-1	-0.875	-0.951	104.828	0.008	0.008	0.000	0.000	0.000
1217	A	1268	ALA	0	-0.026	-0.013	100.737	0.000	0.000	0.000	0.000	0.000
1218	A	1269	ASN	0	0.055	0.017	102.745	0.000	0.000	0.000	0.000	0.000
1219	A	1270	SER	0	-0.045	-0.029	104.809	0.000	0.000	0.000	0.000	0.000
1220	A	1271	THR	0	-0.062	-0.039	103.179	0.000	0.000	0.000	0.000	0.000
1221	A	1272	PHE	0	-0.024	-0.018	99.601	0.000	0.000	0.000	0.000	0.000
1222	A	1273	ILE	0	0.000	0.004	101.411	0.000	0.000	0.000	0.000	0.000
1223	A	1274	LYS	1	0.879	0.949	105.095	-0.008	-0.008	0.000	0.000	0.000
1224	A	1275	ASP	-1	-0.885	-0.926	106.751	0.008	0.008	0.000	0.000	0.000
1225	A	1276	GLU	-1	-0.901	-0.964	106.882	0.008	0.008	0.000	0.000	0.000
1226	A	1277	GLU	-1	-0.978	-0.984	105.002	0.009	0.009	0.000	0.000	0.000
1227	A	1278	MET	0	-0.029	-0.010	100.496	0.000	0.000	0.000	0.000	0.000
1228	A	1279	CYS	0	-0.015	-0.003	102.512	0.000	0.000	0.000	0.000	0.000
1229	A	1280	LYS	1	0.948	0.979	102.238	-0.009	-0.009	0.000	0.000	0.000
1230	A	1281	ARG	1	0.858	0.921	99.747	-0.009	-0.009	0.000	0.000	0.000
1231	A	1282	LEU	0	-0.027	-0.025	97.412	0.000	0.000	0.000	0.000	0.000
1232	A	1283	MET	0	-0.017	0.003	97.179	0.000	0.000	0.000	0.000	0.000
1233	A	1284	ASP	-1	-0.897	-0.956	97.433	0.010	0.010	0.000	0.000	0.000
1234	A	1285	LEU	0	-0.109	-0.047	94.957	0.000	0.000	0.000	0.000	0.000
1235	A	1286	ASN	0	-0.039	-0.043	89.556	0.000	0.000	0.000	0.000	0.000
1236	A	1287	PRO	0	0.100	0.068	92.686	0.000	0.000	0.000	0.000	0.000
1237	A	1288	ASN	0	0.021	-0.016	89.207	0.000	0.000	0.000	0.000	0.000
1238	A	1289	SER	0	-0.007	-0.017	89.912	0.000	0.000	0.000	0.000	0.000
1239	A	1290	PHE	0	0.031	0.012	92.143	0.000	0.000	0.000	0.000	0.000
1240	A	1291	ARG	1	0.847	0.909	90.544	-0.011	-0.011	0.000	0.000	0.000
1241	A	1292	ARG	1	0.897	0.960	89.488	-0.011	-0.011	0.000	0.000	0.000
1242	A	1293	MET	0	-0.031	-0.017	93.620	0.000	0.000	0.000	0.000	0.000
1243	A	1294	VAL	0	0.036	0.028	96.344	0.000	0.000	0.000	0.000	0.000
1244	A	1295	SER	0	0.005	-0.005	94.903	0.000	0.000	0.000	0.000	0.000
1245	A	1296	THR	0	-0.068	-0.040	94.408	0.000	0.000	0.000	0.000	0.000
1246	A	1297	LEU	0	-0.017	-0.011	96.465	0.000	0.000	0.000	0.000	0.000
1247	A	1298	LEU	0	0.024	0.007	99.930	0.000	0.000	0.000	0.000	0.000
1248	A	1299	GLU	-1	-0.859	-0.889	93.988	0.010	0.010	0.000	0.000	0.000
1249	A	1300	VAL	0	-0.014	-0.022	97.581	0.000	0.000	0.000	0.000	0.000
1250	A	1301	ASN	0	-0.048	-0.012	99.649	0.000	0.000	0.000	0.000	0.000
1251	A	1302	GLY	0	0.006	0.010	101.534	0.000	0.000	0.000	0.000	0.000
1252	A	1303	ARG	1	0.793	0.895	93.456	-0.010	-0.010	0.000	0.000	0.000
1253	A	1304	GLY	0	-0.031	-0.008	100.295	0.000	0.000	0.000	0.000	0.000
1254	A	1305	TYR	0	-0.105	-0.092	96.596	0.000	0.000	0.000	0.000	0.000
1255	A	1306	TRP	0	-0.055	-0.030	101.970	0.000	0.000	0.000	0.000	0.000
1256	A	1307	GLU	-1	-0.950	-0.971	104.338	0.007	0.007	0.000	0.000	0.000
1257	A	1308	THR	0	-0.031	-0.065	107.020	0.000	0.000	0.000	0.000	0.000
1258	A	1309	SER	0	-0.033	-0.015	109.663	0.000	0.000	0.000	0.000	0.000
1259	A	1310	ASP	-1	-0.826	-0.938	110.815	0.007	0.007	0.000	0.000	0.000
1260	A	1311	GLU	-1	-0.945	-0.963	111.477	0.007	0.007	0.000	0.000	0.000
1261	A	1312	ASN	0	-0.053	-0.051	108.406	0.000	0.000	0.000	0.000	0.000
1262	A	1313	LEU	0	0.017	0.015	105.718	0.000	0.000	0.000	0.000	0.000
1263	A	1314	GLU	-1	-0.958	-0.976	106.997	0.007	0.007	0.000	0.000	0.000
1264	A	1315	ARG	1	0.951	0.983	107.349	-0.008	-0.008	0.000	0.000	0.000
1265	A	1316	LEU	0	-0.023	-0.014	102.452	0.000	0.000	0.000	0.000	0.000
1266	A	1317	GLN	0	-0.029	-0.018	102.749	0.000	0.000	0.000	0.000	0.000
1267	A	1318	GLU	-1	-0.964	-0.977	104.099	0.008	0.008	0.000	0.000	0.000
1268	A	1319	LEU	0	0.004	-0.008	102.626	0.000	0.000	0.000	0.000	0.000
1269	A	1320	TYR	0	-0.023	-0.006	95.756	0.000	0.000	0.000	0.000	0.000
1270	A	1321	GLN	0	-0.017	-0.012	99.480	0.000	0.000	0.000	0.000	0.000
1271	A	1322	GLU	-1	-0.896	-0.943	100.884	0.009	0.009	0.000	0.000	0.000
1272	A	1323	VAL	0	-0.037	-0.035	96.184	0.000	0.000	0.000	0.000	0.000
1273	A	1324	GLU	-1	-0.859	-0.937	94.547	0.011	0.011	0.000	0.000	0.000
1274	A	1325	ASP	-1	-0.873	-0.923	96.189	0.009	0.009	0.000	0.000	0.000
1275	A	1326	ARG	1	0.801	0.914	96.714	-0.009	-0.009	0.000	0.000	0.000
1276	A	1327	ILE	0	-0.073	-0.011	91.043	0.000	0.000	0.000	0.000	0.000
1277	A	1328	GLU	-1	-0.854	-0.909	91.088	0.012	0.012	0.000	0.000	0.000
1278	A	1329	GLY	0	-0.025	0.014	93.417	0.000	0.000	0.000	0.000	0.000
1279	A	1330	VAL	0	-0.032	-0.024	95.962	0.000	0.000	0.000	0.000	0.000
1280	A	1331	NME	0	-0.068	-0.033	98.506	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:-1:ACE )