FMO DATABASE

FMODB ID: 7MG3K

Calculation Name: 2IPC-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2IPC

Chain ID: A

ChEMBL ID:

UniProt ID: Q5SIW3

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	939
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26150687.823337
FMO2-HF: Nuclear repulsion	25777133.184771
FMO2-HF: Total energy	-373554.638566
FMO2-MP2: Total energy	-374654.030124

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:MET)

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

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.
-16.627	-21.602	24.25	-8.928	-10.345	0.041

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.095 / q_NPA : 0.058

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	3	GLY	0	0.039	0.020	3.719	-0.636	0.975	0.009	-0.718	-0.901	0.002
4	A	4	LEU	0	0.010	0.008	4.243	0.505	0.749	-0.001	-0.036	-0.207	0.000
5	A	5	LEU	0	0.020	0.007	2.064	-0.609	0.816	4.250	-2.114	-3.560	-0.006
6	A	6	ARG	1	0.921	0.936	2.274	-17.306	-25.561	19.992	-6.060	-5.677	0.045
7	A	7	ARG	1	0.849	0.886	6.120	0.054	0.054	0.000	0.000	0.000	0.000
8	A	8	LEU	0	-0.045	0.007	7.708	-0.048	-0.048	0.000	0.000	0.000	0.000
9	A	9	PHE	0	-0.040	-0.028	7.321	0.205	0.205	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.867	-0.935	9.013	1.595	1.595	0.000	0.000	0.000	0.000
11	A	11	ASN	0	0.061	0.020	11.062	-0.201	-0.201	0.000	0.000	0.000	0.000
12	A	12	ASN	0	-0.024	-0.027	12.486	-0.246	-0.246	0.000	0.000	0.000	0.000
13	A	13	GLU	-1	-0.790	-0.848	9.886	0.065	0.065	0.000	0.000	0.000	0.000
14	A	14	ARG	1	0.946	0.972	13.025	-0.494	-0.494	0.000	0.000	0.000	0.000
15	A	15	GLU	-1	-0.853	-0.923	14.747	0.251	0.251	0.000	0.000	0.000	0.000
16	A	16	ILE	0	-0.007	0.009	15.865	-0.060	-0.060	0.000	0.000	0.000	0.000
17	A	17	ALA	0	-0.014	-0.014	15.943	-0.050	-0.050	0.000	0.000	0.000	0.000
18	A	18	ARG	1	0.879	0.938	17.893	-0.174	-0.174	0.000	0.000	0.000	0.000
19	A	19	TYR	0	0.013	-0.037	20.426	-0.016	-0.016	0.000	0.000	0.000	0.000
20	A	20	TYR	0	-0.024	-0.019	18.957	-0.019	-0.019	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.809	0.875	21.664	-0.022	-0.022	0.000	0.000	0.000	0.000
22	A	22	GLN	0	0.023	0.022	24.066	-0.009	-0.009	0.000	0.000	0.000	0.000
23	A	23	VAL	0	0.033	0.026	25.944	-0.002	-0.002	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.028	0.003	23.828	-0.011	-0.011	0.000	0.000	0.000	0.000
25	A	25	GLU	-1	-0.815	-0.894	23.221	0.002	0.002	0.000	0.000	0.000	0.000
26	A	26	PRO	0	0.003	-0.003	27.496	-0.009	-0.009	0.000	0.000	0.000	0.000
27	A	27	VAL	0	0.021	0.017	30.224	-0.005	-0.005	0.000	0.000	0.000	0.000
28	A	28	ASN	0	-0.045	-0.044	27.498	-0.005	-0.005	0.000	0.000	0.000	0.000
29	A	29	ARG	1	0.818	0.924	30.109	-0.004	-0.004	0.000	0.000	0.000	0.000
30	A	30	LEU	0	0.089	0.044	33.514	-0.003	-0.003	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.751	-0.840	34.284	0.016	0.016	0.000	0.000	0.000	0.000
32	A	32	ALA	0	-0.024	0.003	36.822	-0.002	-0.002	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.829	-0.928	38.704	0.015	0.015	0.000	0.000	0.000	0.000
34	A	34	VAL	0	0.019	0.000	38.907	0.000	0.000	0.000	0.000	0.000	0.000
35	A	35	GLU	-1	-0.849	-0.897	40.146	0.005	0.005	0.000	0.000	0.000	0.000
36	A	36	LYS	1	0.734	0.850	41.697	-0.006	-0.006	0.000	0.000	0.000	0.000
37	A	37	LEU	0	0.001	0.021	43.424	0.000	0.000	0.000	0.000	0.000	0.000
38	A	38	PRO	0	-0.002	-0.008	46.576	0.001	0.001	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.783	-0.891	48.957	0.029	0.029	0.000	0.000	0.000	0.000
40	A	40	LEU	0	0.012	0.004	42.549	0.001	0.001	0.000	0.000	0.000	0.000
41	A	41	ALA	0	0.073	0.043	45.245	0.003	0.003	0.000	0.000	0.000	0.000
42	A	42	ALA	0	-0.070	-0.032	47.460	0.001	0.001	0.000	0.000	0.000	0.000
43	A	43	ALA	0	-0.006	-0.001	44.415	0.001	0.001	0.000	0.000	0.000	0.000
44	A	44	TYR	0	-0.002	-0.025	41.024	0.001	0.001	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.849	0.923	44.914	-0.030	-0.030	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.820	-0.880	46.485	0.036	0.036	0.000	0.000	0.000	0.000
47	A	47	LEU	0	-0.007	-0.004	39.618	0.001	0.001	0.000	0.000	0.000	0.000
48	A	48	LYS	1	0.837	0.911	43.907	-0.051	-0.051	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.809	-0.883	45.679	0.039	0.039	0.000	0.000	0.000	0.000
50	A	50	LYS	1	0.804	0.860	43.483	-0.037	-0.037	0.000	0.000	0.000	0.000
51	A	51	HIS	0	-0.052	-0.035	41.593	0.003	0.003	0.000	0.000	0.000	0.000
52	A	52	GLU	-1	-0.858	-0.921	43.813	0.054	0.054	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.755	0.865	47.155	-0.039	-0.039	0.000	0.000	0.000	0.000
54	A	54	GLY	0	-0.030	-0.012	45.027	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	55	ALA	0	-0.038	0.003	40.803	0.003	0.003	0.000	0.000	0.000	0.000
56	A	56	SER	0	-0.011	-0.040	36.789	0.003	0.003	0.000	0.000	0.000	0.000
57	A	57	LEU	0	0.034	0.002	36.443	-0.002	-0.002	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.862	-0.932	32.248	0.115	0.115	0.000	0.000	0.000	0.000
59	A	59	GLU	-1	-0.881	-0.900	33.209	0.070	0.070	0.000	0.000	0.000	0.000
60	A	60	LEU	0	-0.023	-0.007	35.616	-0.006	-0.006	0.000	0.000	0.000	0.000
61	A	61	LEU	0	0.031	0.028	29.441	-0.004	-0.004	0.000	0.000	0.000	0.000
62	A	62	PRO	0	-0.020	-0.021	31.644	-0.003	-0.003	0.000	0.000	0.000	0.000
63	A	63	MET	0	0.021	0.013	33.615	-0.006	-0.006	0.000	0.000	0.000	0.000
64	A	64	ALA	0	0.061	0.037	36.295	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	65	PHE	0	-0.015	-0.007	29.463	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	66	ALA	0	0.004	0.004	34.488	-0.003	-0.003	0.000	0.000	0.000	0.000
67	A	67	LEU	0	0.000	-0.002	35.880	-0.004	-0.004	0.000	0.000	0.000	0.000
68	A	68	THR	0	0.011	-0.007	36.200	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	69	ARG	1	0.740	0.855	29.519	-0.031	-0.031	0.000	0.000	0.000	0.000
70	A	70	GLU	-1	-0.777	-0.889	36.013	0.016	0.016	0.000	0.000	0.000	0.000
71	A	71	SER	0	-0.004	-0.017	39.316	-0.003	-0.003	0.000	0.000	0.000	0.000
72	A	72	ALA	0	0.028	0.014	37.032	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	73	LYS	1	0.719	0.849	37.555	-0.017	-0.017	0.000	0.000	0.000	0.000
74	A	74	ARG	1	0.771	0.877	39.169	-0.024	-0.024	0.000	0.000	0.000	0.000
75	A	75	TYR	0	-0.015	-0.018	42.727	-0.003	-0.003	0.000	0.000	0.000	0.000
76	A	76	LEU	0	0.039	0.023	38.273	0.001	0.001	0.000	0.000	0.000	0.000
77	A	77	GLY	0	-0.014	-0.001	39.841	0.000	0.000	0.000	0.000	0.000	0.000
78	A	78	MET	0	-0.097	-0.044	30.918	-0.003	-0.003	0.000	0.000	0.000	0.000
79	A	79	ARG	1	0.901	0.940	31.986	-0.005	-0.005	0.000	0.000	0.000	0.000
80	A	80	HIS	0	0.066	0.029	31.026	0.002	0.002	0.000	0.000	0.000	0.000
81	A	81	PHE	0	0.014	-0.002	26.644	-0.006	-0.006	0.000	0.000	0.000	0.000
82	A	82	ASP	-1	-0.781	-0.880	24.829	0.031	0.031	0.000	0.000	0.000	0.000
83	A	83	VAL	0	-0.016	-0.015	21.196	0.008	0.008	0.000	0.000	0.000	0.000
84	A	84	GLN	0	-0.006	-0.010	23.754	0.010	0.010	0.000	0.000	0.000	0.000
85	A	85	LEU	0	0.019	0.015	26.958	0.007	0.007	0.000	0.000	0.000	0.000
86	A	86	ILE	0	-0.018	0.000	20.663	0.007	0.007	0.000	0.000	0.000	0.000
87	A	87	GLY	0	0.025	0.006	24.563	0.014	0.014	0.000	0.000	0.000	0.000
88	A	88	GLY	0	0.028	0.015	25.681	0.006	0.006	0.000	0.000	0.000	0.000
89	A	89	ALA	0	0.015	0.001	25.938	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	90	VAL	0	-0.022	-0.005	22.863	0.006	0.006	0.000	0.000	0.000	0.000
91	A	91	LEU	0	0.005	0.002	25.888	0.004	0.004	0.000	0.000	0.000	0.000
92	A	92	HIS	0	-0.001	0.001	29.267	-0.004	-0.004	0.000	0.000	0.000	0.000
93	A	93	GLU	-1	-0.808	-0.884	25.279	0.202	0.202	0.000	0.000	0.000	0.000
94	A	94	GLY	0	-0.018	0.013	29.129	0.006	0.006	0.000	0.000	0.000	0.000
95	A	95	LYS	1	0.796	0.903	22.414	-0.260	-0.260	0.000	0.000	0.000	0.000
96	A	96	ILE	0	-0.007	-0.018	24.093	-0.020	-0.020	0.000	0.000	0.000	0.000
97	A	97	ALA	0	0.020	0.004	23.327	0.029	0.029	0.000	0.000	0.000	0.000
98	A	98	GLU	-1	-0.782	-0.880	18.645	0.385	0.385	0.000	0.000	0.000	0.000
99	A	99	MET	0	-0.040	-0.024	21.077	0.000	0.000	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.796	0.884	18.197	-0.315	-0.315	0.000	0.000	0.000	0.000
101	A	101	THR	0	-0.023	-0.024	23.132	-0.005	-0.005	0.000	0.000	0.000	0.000
102	A	102	GLY	0	0.046	0.023	26.663	0.000	0.000	0.000	0.000	0.000	0.000
103	A	103	GLU	-1	-0.739	-0.862	30.199	0.053	0.053	0.000	0.000	0.000	0.000
104	A	104	GLY	0	-0.070	-0.023	27.439	-0.003	-0.003	0.000	0.000	0.000	0.000
105	A	105	LYS	1	0.827	0.889	27.321	-0.128	-0.128	0.000	0.000	0.000	0.000
106	A	106	THR	0	0.030	-0.008	29.600	0.002	0.002	0.000	0.000	0.000	0.000
107	A	107	LEU	0	0.023	-0.002	32.010	-0.002	-0.002	0.000	0.000	0.000	0.000
108	A	108	VAL	0	-0.044	-0.001	27.641	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	109	ALA	0	0.030	0.021	30.939	0.003	0.003	0.000	0.000	0.000	0.000
110	A	110	THR	0	-0.019	-0.026	33.586	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	111	LEU	0	-0.027	0.006	30.476	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	112	ALA	0	0.030	0.020	31.855	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	113	VAL	0	0.021	0.015	33.852	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	114	ALA	0	0.029	0.018	37.391	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.044	-0.003	33.854	-0.004	-0.004	0.000	0.000	0.000	0.000
116	A	116	ASN	0	0.000	-0.019	34.580	0.000	0.000	0.000	0.000	0.000	0.000
117	A	117	ALA	0	0.016	0.023	38.592	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.009	0.021	40.024	-0.004	-0.004	0.000	0.000	0.000	0.000
119	A	119	THR	0	0.019	-0.009	41.404	-0.003	-0.003	0.000	0.000	0.000	0.000
120	A	120	GLY	0	-0.021	0.001	44.102	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	121	LYS	1	0.802	0.890	42.906	-0.083	-0.083	0.000	0.000	0.000	0.000
122	A	122	GLY	0	0.027	0.042	44.740	0.000	0.000	0.000	0.000	0.000	0.000
123	A	123	VAL	0	-0.040	-0.031	38.313	0.005	0.005	0.000	0.000	0.000	0.000
124	A	124	HIS	0	0.003	0.033	40.020	0.000	0.000	0.000	0.000	0.000	0.000
125	A	125	VAL	0	-0.015	-0.011	36.074	0.008	0.008	0.000	0.000	0.000	0.000
126	A	126	VAL	0	0.005	0.004	36.496	-0.004	-0.004	0.000	0.000	0.000	0.000
127	A	127	THR	0	-0.017	-0.026	35.334	0.008	0.008	0.000	0.000	0.000	0.000
128	A	128	VAL	0	0.010	-0.001	34.140	-0.004	-0.004	0.000	0.000	0.000	0.000
129	A	129	ASN	0	-0.035	-0.015	37.181	-0.007	-0.007	0.000	0.000	0.000	0.000
130	A	130	ASP	-1	-0.675	-0.841	40.413	0.061	0.061	0.000	0.000	0.000	0.000
131	A	131	TYR	0	-0.039	-0.001	40.575	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	132	LEU	0	-0.019	-0.011	36.044	-0.002	-0.002	0.000	0.000	0.000	0.000
133	A	133	ALA	0	0.040	0.031	40.002	0.000	0.000	0.000	0.000	0.000	0.000
134	A	134	ARG	1	0.914	0.958	41.562	-0.046	-0.046	0.000	0.000	0.000	0.000
135	A	135	ARG	1	0.793	0.865	35.298	-0.070	-0.070	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.790	-0.872	36.382	0.073	0.073	0.000	0.000	0.000	0.000
137	A	137	ALA	0	0.028	0.028	39.629	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	138	GLH	0	-0.079	-0.072	42.468	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	139	TRP	0	-0.011	0.003	34.668	0.000	0.000	0.000	0.000	0.000	0.000
140	A	140	MET	0	-0.033	-0.017	36.858	-0.002	-0.002	0.000	0.000	0.000	0.000
141	A	141	GLY	0	0.046	0.035	40.292	0.000	0.000	0.000	0.000	0.000	0.000
142	A	142	PRO	0	-0.036	-0.025	42.787	0.000	0.000	0.000	0.000	0.000	0.000
143	A	143	VAL	0	-0.035	-0.012	38.132	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	144	TYR	0	0.060	0.030	38.090	0.001	0.001	0.000	0.000	0.000	0.000
145	A	145	ARG	1	0.865	0.899	43.123	-0.040	-0.040	0.000	0.000	0.000	0.000
146	A	146	GLY	0	-0.035	-0.022	44.821	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	147	LEU	0	-0.045	-0.031	40.320	-0.002	-0.002	0.000	0.000	0.000	0.000
148	A	148	GLY	0	-0.044	-0.034	45.053	0.000	0.000	0.000	0.000	0.000	0.000
149	A	149	LEU	0	-0.041	0.002	42.183	0.000	0.000	0.000	0.000	0.000	0.000
150	A	150	SER	0	-0.063	-0.058	46.330	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	151	VAL	0	-0.028	-0.026	44.370	0.003	0.003	0.000	0.000	0.000	0.000
152	A	152	GLY	0	-0.006	0.012	46.190	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	153	VAL	0	-0.046	-0.035	45.144	0.003	0.003	0.000	0.000	0.000	0.000
154	A	154	ILE	0	-0.017	0.007	46.019	-0.003	-0.003	0.000	0.000	0.000	0.000
155	A	155	GLN	0	-0.035	-0.027	45.745	0.000	0.000	0.000	0.000	0.000	0.000
156	A	156	HIS	0	-0.055	-0.041	47.803	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	157	ALA	0	-0.033	-0.027	49.296	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	158	SER	0	-0.050	-0.013	50.710	-0.002	-0.002	0.000	0.000	0.000	0.000
159	A	159	THR	0	0.012	-0.037	53.306	0.001	0.001	0.000	0.000	0.000	0.000
160	A	160	PRO	0	0.050	0.006	54.681	0.001	0.001	0.000	0.000	0.000	0.000
161	A	161	ALA	0	0.021	0.019	55.382	0.001	0.001	0.000	0.000	0.000	0.000
162	A	162	GLU	-1	-0.867	-0.903	53.438	0.043	0.043	0.000	0.000	0.000	0.000
163	A	163	ARG	1	0.803	0.875	48.948	-0.057	-0.057	0.000	0.000	0.000	0.000
164	A	164	ARG	1	0.822	0.905	51.046	-0.044	-0.044	0.000	0.000	0.000	0.000
165	A	165	LYS	1	0.918	0.958	52.634	-0.040	-0.040	0.000	0.000	0.000	0.000
166	A	166	ALA	0	-0.039	-0.019	48.466	0.000	0.000	0.000	0.000	0.000	0.000
167	A	167	TYR	0	-0.005	-0.050	45.305	0.004	0.004	0.000	0.000	0.000	0.000
168	A	168	LEU	0	-0.009	-0.004	48.334	0.002	0.002	0.000	0.000	0.000	0.000
169	A	169	ALA	0	-0.042	0.006	47.550	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	170	ASP	-1	-0.807	-0.886	45.027	0.056	0.056	0.000	0.000	0.000	0.000
171	A	171	VAL	0	-0.053	-0.026	40.836	0.005	0.005	0.000	0.000	0.000	0.000
172	A	172	THR	0	-0.019	-0.015	42.673	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	173	TYR	0	-0.001	0.002	38.289	0.006	0.006	0.000	0.000	0.000	0.000
174	A	174	VAL	0	0.013	0.004	41.360	-0.004	-0.004	0.000	0.000	0.000	0.000
175	A	175	THR	0	0.018	0.012	40.607	0.005	0.005	0.000	0.000	0.000	0.000
176	A	176	ASN	0	-0.005	-0.027	37.791	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	177	SER	0	0.041	0.024	39.934	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	178	GLU	-1	-0.758	-0.853	42.860	0.061	0.061	0.000	0.000	0.000	0.000
179	A	179	LEU	0	0.015	0.015	40.237	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	180	GLY	0	0.035	0.016	43.389	0.000	0.000	0.000	0.000	0.000	0.000
181	A	181	PHE	0	-0.019	-0.029	44.160	-0.002	-0.002	0.000	0.000	0.000	0.000
182	A	182	ASP	-1	-0.771	-0.842	47.439	0.061	0.061	0.000	0.000	0.000	0.000
183	A	183	TYR	0	0.061	0.039	45.911	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	184	LEU	0	-0.048	-0.018	46.839	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	185	ARG	1	0.814	0.876	49.630	-0.064	-0.064	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.730	-0.867	51.192	0.058	0.058	0.000	0.000	0.000	0.000
187	A	187	ASN	0	-0.058	-0.032	49.415	-0.002	-0.002	0.000	0.000	0.000	0.000
188	A	188	MET	0	-0.031	-0.008	53.028	0.000	0.000	0.000	0.000	0.000	0.000
189	A	189	ALA	0	-0.044	0.005	55.846	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	190	ILE	0	-0.001	-0.001	58.063	0.000	0.000	0.000	0.000	0.000	0.000
191	A	191	SER	0	0.009	-0.001	61.574	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	192	PRO	0	0.089	0.020	59.391	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	ASP	-1	-0.865	-0.921	58.871	0.042	0.042	0.000	0.000	0.000	0.000
194	A	194	GLN	0	-0.037	-0.014	58.686	0.000	0.000	0.000	0.000	0.000	0.000
195	A	195	LEU	0	-0.018	0.025	54.521	0.001	0.001	0.000	0.000	0.000	0.000
196	A	196	VAL	0	-0.070	-0.041	50.556	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	197	LEU	0	-0.022	-0.009	46.824	0.001	0.001	0.000	0.000	0.000	0.000
198	A	198	ARG	1	0.782	0.891	47.623	-0.065	-0.065	0.000	0.000	0.000	0.000
199	A	199	HIS	0	0.006	0.005	50.645	0.001	0.001	0.000	0.000	0.000	0.000
200	A	200	ASP	-1	-0.839	-0.911	50.224	0.060	0.060	0.000	0.000	0.000	0.000
201	A	201	HIS	0	0.025	-0.007	45.465	0.002	0.002	0.000	0.000	0.000	0.000
202	A	202	PRO	0	-0.024	-0.011	45.899	0.003	0.003	0.000	0.000	0.000	0.000
203	A	203	LEU	0	0.008	0.001	42.184	0.000	0.000	0.000	0.000	0.000	0.000
204	A	204	HIS	0	0.012	0.007	40.364	0.006	0.006	0.000	0.000	0.000	0.000
205	A	205	TYR	0	-0.024	-0.031	32.581	0.003	0.003	0.000	0.000	0.000	0.000
206	A	206	ALA	0	0.015	0.011	36.251	-0.005	-0.005	0.000	0.000	0.000	0.000
207	A	207	ILE	0	-0.023	-0.010	32.346	0.010	0.010	0.000	0.000	0.000	0.000
208	A	208	ILE	0	0.022	-0.001	32.232	-0.007	-0.007	0.000	0.000	0.000	0.000
209	A	209	ASP	-1	-0.767	-0.883	31.164	0.127	0.127	0.000	0.000	0.000	0.000
210	A	210	GLU	-1	-0.817	-0.890	30.041	0.133	0.133	0.000	0.000	0.000	0.000
211	A	211	VAL	0	0.023	0.010	27.071	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	212	ASP	-1	-0.749	-0.842	26.173	0.196	0.196	0.000	0.000	0.000	0.000
213	A	213	SER	0	-0.005	-0.004	28.255	-0.010	-0.010	0.000	0.000	0.000	0.000
214	A	214	ILE	0	0.034	0.011	31.508	-0.003	-0.003	0.000	0.000	0.000	0.000
215	A	215	LEU	0	-0.032	-0.005	30.658	-0.005	-0.005	0.000	0.000	0.000	0.000
216	A	216	ILE	0	-0.013	-0.006	26.743	0.005	0.005	0.000	0.000	0.000	0.000
217	A	217	ASP	-1	-0.829	-0.886	29.546	0.174	0.174	0.000	0.000	0.000	0.000
218	A	218	GLU	-1	-0.811	-0.887	32.600	0.095	0.095	0.000	0.000	0.000	0.000
219	A	219	ALA	0	-0.003	0.021	33.976	-0.007	-0.007	0.000	0.000	0.000	0.000
220	A	220	ARG	1	0.779	0.851	33.772	-0.118	-0.118	0.000	0.000	0.000	0.000
221	A	221	THR	0	0.003	0.003	36.598	-0.003	-0.003	0.000	0.000	0.000	0.000
222	A	222	PRO	0	-0.023	-0.016	40.217	0.004	0.004	0.000	0.000	0.000	0.000
223	A	223	LEU	0	-0.027	0.025	42.307	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	224	ILE	0	0.020	-0.015	44.803	0.001	0.001	0.000	0.000	0.000	0.000
225	A	225	ILE	0	0.008	0.004	48.221	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	226	SER	0	0.008	0.015	51.845	0.000	0.000	0.000	0.000	0.000	0.000
227	A	227	GLY	0	-0.014	-0.015	54.205	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	228	PRO	0	-0.042	-0.045	57.967	0.000	0.000	0.000	0.000	0.000	0.000
229	A	229	ALA	0	0.044	0.037	60.992	0.001	0.001	0.000	0.000	0.000	0.000
230	A	230	GLU	-1	-0.803	-0.893	58.865	0.047	0.047	0.000	0.000	0.000	0.000
231	A	231	LYS	1	0.803	0.909	63.305	-0.035	-0.035	0.000	0.000	0.000	0.000
232	A	232	ALA	0	0.031	0.004	67.081	0.000	0.000	0.000	0.000	0.000	0.000
233	A	233	THR	0	0.100	0.045	68.088	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	234	ASP	-1	-0.847	-0.904	70.040	0.031	0.031	0.000	0.000	0.000	0.000
235	A	235	LEU	0	-0.009	-0.006	72.345	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	236	TYR	0	0.088	0.044	67.006	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	237	TYR	0	-0.044	-0.053	70.961	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	238	LYS	1	0.812	0.896	74.705	-0.029	-0.029	0.000	0.000	0.000	0.000
239	A	239	MET	0	0.046	0.031	74.099	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	240	ALA	0	0.059	0.035	74.330	0.000	0.000	0.000	0.000	0.000	0.000
241	A	241	GLU	-1	-0.894	-0.910	76.280	0.024	0.024	0.000	0.000	0.000	0.000
242	A	242	ILE	0	0.069	0.045	78.881	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	243	ALA	0	0.014	0.013	77.573	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	244	LYS	1	0.907	0.943	79.648	-0.024	-0.024	0.000	0.000	0.000	0.000
245	A	245	LYS	1	0.742	0.854	82.459	-0.025	-0.025	0.000	0.000	0.000	0.000
246	A	246	LEU	0	-0.031	-0.006	81.586	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	247	GLU	-1	-0.811	-0.873	84.325	0.023	0.023	0.000	0.000	0.000	0.000
248	A	248	ARG	1	0.819	0.896	81.108	-0.025	-0.025	0.000	0.000	0.000	0.000
249	A	249	GLY	0	-0.018	0.011	85.063	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	250	LEU	0	0.018	-0.002	85.988	0.000	0.000	0.000	0.000	0.000	0.000
251	A	251	PRO	0	0.071	0.025	83.205	0.000	0.000	0.000	0.000	0.000	0.000
252	A	252	ALA	0	-0.059	-0.024	85.397	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	253	GLU	-1	-0.891	-0.941	87.606	0.021	0.021	0.000	0.000	0.000	0.000
254	A	254	PRO	0	-0.038	-0.040	90.639	0.000	0.000	0.000	0.000	0.000	0.000
255	A	255	GLY	0	0.025	0.022	91.984	0.000	0.000	0.000	0.000	0.000	0.000
256	A	256	VAL	0	-0.068	-0.022	92.103	0.000	0.000	0.000	0.000	0.000	0.000
257	A	257	ARG	1	0.859	0.916	88.310	-0.022	-0.022	0.000	0.000	0.000	0.000
258	A	258	LYS	1	0.910	0.964	84.368	-0.025	-0.025	0.000	0.000	0.000	0.000
259	A	259	GLU	-1	-0.833	-0.903	87.395	0.022	0.022	0.000	0.000	0.000	0.000
260	A	260	PRO	0	-0.040	-0.023	87.972	0.000	0.000	0.000	0.000	0.000	0.000
261	A	261	THR	0	-0.064	-0.036	82.703	0.000	0.000	0.000	0.000	0.000	0.000
262	A	262	GLY	0	0.011	0.022	81.629	0.001	0.001	0.000	0.000	0.000	0.000
263	A	263	ASP	-1	-0.799	-0.921	81.166	0.026	0.026	0.000	0.000	0.000	0.000
264	A	264	TYR	0	-0.008	-0.017	78.765	0.001	0.001	0.000	0.000	0.000	0.000
265	A	265	THR	0	-0.009	0.022	73.703	0.000	0.000	0.000	0.000	0.000	0.000
266	A	266	VAL	0	0.001	-0.007	76.266	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	267	GLU	-1	-0.874	-0.933	74.366	0.031	0.031	0.000	0.000	0.000	0.000
268	A	268	GLU	-1	-0.949	-0.967	72.071	0.033	0.033	0.000	0.000	0.000	0.000
269	A	269	LYS	1	0.774	0.895	70.566	-0.034	-0.034	0.000	0.000	0.000	0.000
270	A	270	ASN	0	-0.017	-0.015	67.685	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	271	ARG	1	0.780	0.842	68.409	-0.036	-0.036	0.000	0.000	0.000	0.000
272	A	272	SER	0	0.041	0.008	73.165	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	273	VAL	0	-0.020	-0.013	75.372	0.000	0.000	0.000	0.000	0.000	0.000
274	A	274	HIS	0	0.033	0.029	75.242	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	275	LEU	0	0.032	0.013	79.651	0.000	0.000	0.000	0.000	0.000	0.000
276	A	276	THR	0	-0.047	-0.040	82.110	0.000	0.000	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.052	0.016	85.153	0.000	0.000	0.000	0.000	0.000	0.000
278	A	278	GLN	0	0.001	-0.001	86.871	0.000	0.000	0.000	0.000	0.000	0.000
279	A	279	GLY	0	0.050	0.021	84.889	0.000	0.000	0.000	0.000	0.000	0.000
280	A	280	ILE	0	-0.004	-0.001	81.563	0.000	0.000	0.000	0.000	0.000	0.000
281	A	281	ALA	0	0.034	0.013	83.645	0.000	0.000	0.000	0.000	0.000	0.000
282	A	282	LYS	1	0.790	0.867	85.990	-0.023	-0.023	0.000	0.000	0.000	0.000
283	A	283	ALA	0	0.011	0.003	80.924	0.000	0.000	0.000	0.000	0.000	0.000
284	A	284	GLU	-1	-0.773	-0.880	81.949	0.024	0.024	0.000	0.000	0.000	0.000
285	A	285	LYS	1	0.815	0.892	82.975	-0.023	-0.023	0.000	0.000	0.000	0.000
286	A	286	LEU	0	-0.043	-0.008	82.038	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	287	LEU	0	-0.079	-0.052	78.476	0.000	0.000	0.000	0.000	0.000	0.000
288	A	288	GLY	0	0.013	0.021	81.240	0.000	0.000	0.000	0.000	0.000	0.000
289	A	289	ILE	0	-0.026	-0.019	82.260	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	290	GLU	-1	-0.860	-0.913	82.365	0.024	0.024	0.000	0.000	0.000	0.000
291	A	291	GLY	0	0.009	0.026	82.414	0.000	0.000	0.000	0.000	0.000	0.000
292	A	292	LEU	0	-0.014	-0.023	79.184	0.000	0.000	0.000	0.000	0.000	0.000
293	A	293	PHE	0	-0.036	-0.008	77.283	0.001	0.001	0.000	0.000	0.000	0.000
294	A	294	SER	0	-0.009	-0.006	77.099	0.001	0.001	0.000	0.000	0.000	0.000
295	A	295	PRO	0	-0.011	0.001	75.445	0.001	0.001	0.000	0.000	0.000	0.000
296	A	296	GLU	-1	-0.897	-0.958	73.430	0.031	0.031	0.000	0.000	0.000	0.000
297	A	297	ASN	0	-0.096	-0.027	72.708	0.000	0.000	0.000	0.000	0.000	0.000
298	A	298	MET	0	0.023	0.014	69.543	0.000	0.000	0.000	0.000	0.000	0.000
299	A	299	GLU	-1	-0.806	-0.913	68.472	0.035	0.035	0.000	0.000	0.000	0.000
300	A	300	LEU	0	-0.043	-0.029	69.991	0.000	0.000	0.000	0.000	0.000	0.000
301	A	301	ALA	0	0.008	0.000	73.386	0.000	0.000	0.000	0.000	0.000	0.000
302	A	302	HIS	0	-0.015	0.006	65.352	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	303	MET	0	-0.012	-0.008	69.752	0.000	0.000	0.000	0.000	0.000	0.000
304	A	304	LEU	0	-0.022	-0.027	71.435	0.000	0.000	0.000	0.000	0.000	0.000
305	A	305	ILE	0	-0.009	-0.003	71.731	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	306	GLN	0	-0.003	-0.012	66.300	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	307	ALA	0	-0.020	-0.010	70.995	0.000	0.000	0.000	0.000	0.000	0.000
308	A	308	ILE	0	-0.047	-0.020	73.427	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	309	ARG	1	0.794	0.863	68.541	-0.038	-0.038	0.000	0.000	0.000	0.000
310	A	310	ALA	0	-0.005	-0.009	70.762	0.000	0.000	0.000	0.000	0.000	0.000
311	A	311	LYS	1	0.747	0.858	71.902	-0.028	-0.028	0.000	0.000	0.000	0.000
312	A	312	GLU	-1	-0.837	-0.887	75.304	0.026	0.026	0.000	0.000	0.000	0.000
313	A	313	LEU	0	-0.020	-0.003	70.226	0.000	0.000	0.000	0.000	0.000	0.000
314	A	314	TYR	0	0.044	0.033	66.225	0.001	0.001	0.000	0.000	0.000	0.000
315	A	315	HIS	1	0.792	0.901	70.242	-0.034	-0.034	0.000	0.000	0.000	0.000
316	A	316	ARG	1	0.861	0.893	71.343	-0.031	-0.031	0.000	0.000	0.000	0.000
317	A	317	ASP	-1	-0.899	-0.936	70.168	0.032	0.032	0.000	0.000	0.000	0.000
318	A	318	ARG	1	0.807	0.900	69.886	-0.030	-0.030	0.000	0.000	0.000	0.000
319	A	319	ASP	-1	-0.775	-0.883	66.870	0.036	0.036	0.000	0.000	0.000	0.000
320	A	320	TYR	0	-0.086	-0.068	65.356	0.002	0.002	0.000	0.000	0.000	0.000
321	A	321	ILE	0	-0.008	-0.003	65.679	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	322	VAL	0	0.004	0.006	65.926	0.001	0.001	0.000	0.000	0.000	0.000
323	A	323	GLN	0	-0.045	-0.029	63.992	0.000	0.000	0.000	0.000	0.000	0.000
324	A	324	ASP	-1	-0.930	-0.970	67.401	0.032	0.032	0.000	0.000	0.000	0.000
325	A	325	GLY	0	-0.079	-0.019	63.856	0.000	0.000	0.000	0.000	0.000	0.000
326	A	326	GLN	0	-0.051	-0.059	62.101	0.000	0.000	0.000	0.000	0.000	0.000
327	A	327	VAL	0	-0.004	0.000	65.013	0.000	0.000	0.000	0.000	0.000	0.000
328	A	328	ILE	0	-0.030	-0.001	60.342	0.002	0.002	0.000	0.000	0.000	0.000
329	A	329	ILE	0	0.033	0.019	60.367	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	330	VAL	0	-0.002	0.002	61.626	0.001	0.001	0.000	0.000	0.000	0.000
331	A	331	ASP	-1	-0.794	-0.881	57.315	0.051	0.051	0.000	0.000	0.000	0.000
332	A	332	GLU	-1	-0.885	-0.955	60.724	0.038	0.038	0.000	0.000	0.000	0.000
333	A	333	PHE	0	-0.026	-0.009	57.763	0.000	0.000	0.000	0.000	0.000	0.000
334	A	334	THR	0	-0.111	-0.071	56.644	0.001	0.001	0.000	0.000	0.000	0.000
335	A	335	GLY	0	0.002	0.024	59.739	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	336	ARG	1	0.725	0.851	52.980	-0.054	-0.054	0.000	0.000	0.000	0.000
337	A	337	LEU	0	0.038	0.019	59.810	0.000	0.000	0.000	0.000	0.000	0.000
338	A	338	MET	0	-0.017	-0.001	57.272	0.002	0.002	0.000	0.000	0.000	0.000
339	A	339	PRO	0	-0.059	-0.039	53.562	0.000	0.000	0.000	0.000	0.000	0.000
340	A	340	GLY	0	-0.002	0.008	54.273	0.002	0.002	0.000	0.000	0.000	0.000
341	A	341	ARG	1	0.757	0.835	51.750	-0.056	-0.056	0.000	0.000	0.000	0.000
342	A	342	ARG	1	0.839	0.910	56.901	-0.048	-0.048	0.000	0.000	0.000	0.000
343	A	343	TYR	0	0.079	0.018	58.877	0.001	0.001	0.000	0.000	0.000	0.000
344	A	344	GLY	0	0.064	0.033	59.870	0.001	0.001	0.000	0.000	0.000	0.000
345	A	345	GLU	-1	-0.797	-0.895	60.745	0.038	0.038	0.000	0.000	0.000	0.000
346	A	346	GLY	0	0.073	0.063	62.793	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	347	LEU	0	-0.008	-0.014	64.210	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	348	HIS	0	-0.010	0.023	62.658	-0.001	-0.001	0.000	0.000	0.000	0.000
349	A	349	GLN	0	0.059	0.015	62.244	-0.002	-0.002	0.000	0.000	0.000	0.000
350	A	350	ALA	0	-0.002	-0.003	66.393	-0.002	-0.002	0.000	0.000	0.000	0.000
351	A	351	ILE	0	0.023	0.010	67.045	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	352	GLU	-1	-0.814	-0.910	65.071	0.038	0.038	0.000	0.000	0.000	0.000
353	A	353	ALA	0	-0.019	-0.005	69.001	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	354	LYS	1	0.777	0.886	71.965	-0.030	-0.030	0.000	0.000	0.000	0.000
355	A	355	GLU	-1	-0.767	-0.874	70.418	0.030	0.030	0.000	0.000	0.000	0.000
356	A	356	GLY	0	-0.078	-0.014	73.139	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	357	VAL	0	-0.005	0.010	67.242	0.000	0.000	0.000	0.000	0.000	0.000
358	A	358	ARG	1	0.895	0.944	67.447	-0.032	-0.032	0.000	0.000	0.000	0.000
359	A	359	ILE	0	0.033	0.039	65.726	0.001	0.001	0.000	0.000	0.000	0.000
360	A	360	GLU	-1	-0.803	-0.879	61.272	0.041	0.041	0.000	0.000	0.000	0.000
361	A	361	ARG	1	0.786	0.852	63.141	-0.037	-0.037	0.000	0.000	0.000	0.000
362	A	362	GLU	-1	-0.893	-0.933	58.695	0.043	0.043	0.000	0.000	0.000	0.000
363	A	363	ASN	0	-0.048	-0.033	55.001	0.002	0.002	0.000	0.000	0.000	0.000
364	A	364	GLN	0	0.073	0.040	54.949	0.002	0.002	0.000	0.000	0.000	0.000
365	A	365	THR	0	-0.052	-0.043	50.083	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	366	LEU	0	0.013	0.014	53.148	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	367	ALA	0	0.024	0.007	50.782	0.000	0.000	0.000	0.000	0.000	0.000
368	A	368	THR	0	0.028	0.006	45.439	0.000	0.000	0.000	0.000	0.000	0.000
369	A	369	ILE	0	-0.033	-0.002	42.228	0.001	0.001	0.000	0.000	0.000	0.000
370	A	370	THR	0	0.005	0.020	38.338	0.001	0.001	0.000	0.000	0.000	0.000
371	A	371	TYR	0	0.039	-0.018	36.993	0.001	0.001	0.000	0.000	0.000	0.000
372	A	372	GLN	0	-0.022	-0.022	33.180	-0.006	-0.006	0.000	0.000	0.000	0.000
373	A	373	ASN	0	-0.004	-0.019	35.964	0.006	0.006	0.000	0.000	0.000	0.000
374	A	374	PHE	0	0.005	0.028	38.765	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	375	PHE	0	0.027	-0.005	35.706	-0.001	-0.001	0.000	0.000	0.000	0.000
376	A	376	ARG	1	0.802	0.881	33.056	-0.147	-0.147	0.000	0.000	0.000	0.000
377	A	377	LEU	0	-0.034	-0.006	37.072	0.000	0.000	0.000	0.000	0.000	0.000
378	A	378	TYR	0	-0.052	-0.023	37.657	-0.003	-0.003	0.000	0.000	0.000	0.000
379	A	379	GLU	-1	-0.816	-0.877	38.149	0.096	0.096	0.000	0.000	0.000	0.000
380	A	380	LYS	1	0.825	0.897	32.961	-0.118	-0.118	0.000	0.000	0.000	0.000
381	A	381	ARG	1	0.868	0.928	33.096	-0.154	-0.154	0.000	0.000	0.000	0.000
382	A	382	ALA	0	0.047	0.032	30.263	0.011	0.011	0.000	0.000	0.000	0.000
383	A	383	GLY	0	0.023	-0.001	29.052	-0.011	-0.011	0.000	0.000	0.000	0.000
384	A	384	MET	0	-0.072	-0.002	26.521	0.015	0.015	0.000	0.000	0.000	0.000
385	A	385	THR	0	0.014	-0.012	24.750	-0.007	-0.007	0.000	0.000	0.000	0.000
386	A	386	GLY	0	0.022	0.025	23.333	0.013	0.013	0.000	0.000	0.000	0.000
387	A	387	THR	0	-0.098	-0.067	21.289	0.025	0.025	0.000	0.000	0.000	0.000
388	A	388	ALA	0	0.047	0.008	21.332	-0.020	-0.020	0.000	0.000	0.000	0.000
389	A	389	LYS	1	0.800	0.874	15.400	-0.619	-0.619	0.000	0.000	0.000	0.000
390	A	390	THR	0	-0.094	-0.049	18.703	0.060	0.060	0.000	0.000	0.000	0.000
391	A	391	GLU	-1	-0.807	-0.897	19.629	0.303	0.303	0.000	0.000	0.000	0.000
392	A	392	GLU	-1	-0.817	-0.875	18.100	0.534	0.534	0.000	0.000	0.000	0.000
393	A	393	LYS	1	0.880	0.915	20.225	-0.341	-0.341	0.000	0.000	0.000	0.000
394	A	394	GLU	-1	-0.859	-0.910	22.182	0.195	0.195	0.000	0.000	0.000	0.000
395	A	395	PHE	0	0.022	-0.011	24.019	-0.023	-0.023	0.000	0.000	0.000	0.000
396	A	396	GLN	0	-0.012	-0.010	20.787	-0.006	-0.006	0.000	0.000	0.000	0.000
397	A	397	GLU	-1	-0.862	-0.920	25.167	0.264	0.264	0.000	0.000	0.000	0.000
398	A	398	ILE	0	-0.082	-0.029	27.810	-0.021	-0.021	0.000	0.000	0.000	0.000
399	A	399	TYR	0	-0.013	-0.017	29.576	-0.019	-0.019	0.000	0.000	0.000	0.000
400	A	400	GLY	0	0.010	0.019	28.854	-0.011	-0.011	0.000	0.000	0.000	0.000
401	A	401	MET	0	-0.061	0.000	27.161	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	402	ASP	-1	-0.810	-0.905	21.743	0.350	0.350	0.000	0.000	0.000	0.000
403	A	403	VAL	0	-0.039	-0.029	20.307	-0.030	-0.030	0.000	0.000	0.000	0.000
404	A	404	VAL	0	0.000	0.017	18.855	0.073	0.073	0.000	0.000	0.000	0.000
405	A	405	VAL	0	-0.013	-0.014	15.196	-0.032	-0.032	0.000	0.000	0.000	0.000
406	A	406	VAL	0	0.009	0.014	17.513	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	407	PRO	0	-0.025	-0.013	16.882	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	408	THR	0	-0.020	-0.016	17.843	-0.015	-0.015	0.000	0.000	0.000	0.000
409	A	409	ASN	0	-0.021	-0.012	19.572	-0.023	-0.023	0.000	0.000	0.000	0.000
410	A	410	ARG	1	0.937	0.978	21.030	-0.012	-0.012	0.000	0.000	0.000	0.000
411	A	411	PRO	0	0.018	0.004	16.746	0.025	0.025	0.000	0.000	0.000	0.000
412	A	412	VAL	0	0.031	0.017	17.649	-0.008	-0.008	0.000	0.000	0.000	0.000
413	A	413	ILE	0	0.007	0.001	18.047	-0.011	-0.011	0.000	0.000	0.000	0.000
414	A	414	ARG	1	0.766	0.877	20.592	-0.139	-0.139	0.000	0.000	0.000	0.000
415	A	415	LYS	1	0.956	0.970	20.190	0.042	0.042	0.000	0.000	0.000	0.000
416	A	416	ASP	-1	-0.781	-0.826	19.711	0.122	0.122	0.000	0.000	0.000	0.000
417	A	417	PHE	0	-0.040	-0.025	20.320	-0.003	-0.003	0.000	0.000	0.000	0.000
418	A	418	PRO	0	-0.002	-0.009	20.740	0.016	0.016	0.000	0.000	0.000	0.000
419	A	419	ASP	-1	-0.780	-0.881	22.763	0.110	0.110	0.000	0.000	0.000	0.000
420	A	420	VAL	0	-0.042	-0.019	25.848	-0.009	-0.009	0.000	0.000	0.000	0.000
421	A	421	VAL	0	-0.020	-0.007	28.443	0.005	0.005	0.000	0.000	0.000	0.000
422	A	422	TYR	0	0.023	0.009	31.212	-0.009	-0.009	0.000	0.000	0.000	0.000
423	A	423	ARG	1	0.864	0.906	34.958	-0.022	-0.022	0.000	0.000	0.000	0.000
424	A	424	THR	0	-0.011	-0.017	36.945	0.003	0.003	0.000	0.000	0.000	0.000
425	A	425	GLU	-1	-0.783	-0.894	38.231	0.054	0.054	0.000	0.000	0.000	0.000
426	A	426	LYS	1	0.941	0.972	39.368	-0.022	-0.022	0.000	0.000	0.000	0.000
427	A	427	GLY	0	0.023	0.007	39.985	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	428	LYS	1	0.754	0.858	34.137	-0.062	-0.062	0.000	0.000	0.000	0.000
429	A	429	PHE	0	0.011	-0.007	37.012	0.000	0.000	0.000	0.000	0.000	0.000
430	A	430	TYR	0	-0.018	-0.016	39.384	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.011	0.008	35.499	-0.003	-0.003	0.000	0.000	0.000	0.000
432	A	432	VAL	0	0.023	0.013	34.399	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	433	VAL	0	-0.005	-0.008	36.537	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	434	GLU	-1	-0.849	-0.885	38.188	0.005	0.005	0.000	0.000	0.000	0.000
435	A	435	GLU	-1	-0.780	-0.852	31.391	0.021	0.021	0.000	0.000	0.000	0.000
436	A	436	ILE	0	0.000	0.003	35.816	-0.002	-0.002	0.000	0.000	0.000	0.000
437	A	437	ALA	0	0.000	0.002	37.856	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	438	GLU	-1	-0.887	-0.930	33.871	-0.003	-0.003	0.000	0.000	0.000	0.000
439	A	439	LYS	1	0.798	0.889	31.285	-0.012	-0.012	0.000	0.000	0.000	0.000
440	A	440	TYR	0	0.015	-0.013	36.276	-0.003	-0.003	0.000	0.000	0.000	0.000
441	A	441	GLU	-1	-0.877	-0.918	39.689	-0.009	-0.009	0.000	0.000	0.000	0.000
442	A	442	ARG	1	0.802	0.907	32.348	0.014	0.014	0.000	0.000	0.000	0.000
443	A	443	GLY	0	0.017	0.010	38.003	-0.003	-0.003	0.000	0.000	0.000	0.000
444	A	444	GLN	0	-0.078	-0.053	29.941	-0.004	-0.004	0.000	0.000	0.000	0.000
445	A	445	PRO	0	-0.010	0.010	34.064	0.002	0.002	0.000	0.000	0.000	0.000
446	A	446	VAL	0	-0.021	-0.016	33.774	0.001	0.001	0.000	0.000	0.000	0.000
447	A	447	LEU	0	-0.016	0.000	32.119	0.001	0.001	0.000	0.000	0.000	0.000
448	A	448	VAL	0	0.026	0.008	32.800	0.004	0.004	0.000	0.000	0.000	0.000
449	A	449	GLY	0	0.014	0.015	33.361	0.002	0.002	0.000	0.000	0.000	0.000
450	A	450	THR	0	-0.041	-0.026	34.350	0.000	0.000	0.000	0.000	0.000	0.000
451	A	451	ILE	0	0.043	0.015	33.013	0.005	0.005	0.000	0.000	0.000	0.000
452	A	452	SER	0	0.018	0.003	36.983	0.000	0.000	0.000	0.000	0.000	0.000
453	A	453	ILE	0	0.077	0.023	40.851	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	454	GLU	-1	-0.829	-0.876	43.747	0.042	0.042	0.000	0.000	0.000	0.000
455	A	455	LYS	1	0.776	0.863	38.026	-0.065	-0.065	0.000	0.000	0.000	0.000
456	A	456	SER	0	0.018	-0.006	40.659	-0.001	-0.001	0.000	0.000	0.000	0.000
457	A	457	GLU	-1	-0.800	-0.903	41.979	0.038	0.038	0.000	0.000	0.000	0.000
458	A	458	ARG	1	0.806	0.889	44.194	-0.041	-0.041	0.000	0.000	0.000	0.000
459	A	459	LEU	0	0.014	0.001	38.367	-0.003	-0.003	0.000	0.000	0.000	0.000
460	A	460	SER	0	0.011	0.002	43.007	-0.003	-0.003	0.000	0.000	0.000	0.000
461	A	461	GLN	0	-0.026	-0.020	45.458	-0.002	-0.002	0.000	0.000	0.000	0.000
462	A	462	MET	0	-0.088	-0.047	42.623	-0.003	-0.003	0.000	0.000	0.000	0.000
463	A	463	LEU	0	0.001	0.017	41.430	-0.002	-0.002	0.000	0.000	0.000	0.000
464	A	464	LYS	1	0.832	0.905	45.939	-0.025	-0.025	0.000	0.000	0.000	0.000
465	A	465	GLU	-1	-0.868	-0.919	49.371	0.018	0.018	0.000	0.000	0.000	0.000
466	A	466	PRO	0	0.058	0.024	48.835	0.000	0.000	0.000	0.000	0.000	0.000
467	A	467	ARG	1	0.902	0.943	49.912	-0.012	-0.012	0.000	0.000	0.000	0.000
468	A	468	LEU	0	0.026	0.007	48.519	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	469	TYR	0	-0.010	-0.035	42.596	0.000	0.000	0.000	0.000	0.000	0.000
470	A	470	LEU	0	-0.030	-0.010	47.302	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	471	PRO	0	0.038	0.019	48.046	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	472	ARG	1	0.871	0.926	38.457	-0.011	-0.011	0.000	0.000	0.000	0.000
473	A	473	LEU	0	-0.009	0.005	45.688	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	474	GLU	-1	-0.938	-0.972	47.597	0.004	0.004	0.000	0.000	0.000	0.000
475	A	475	MET	0	0.000	-0.004	45.822	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	476	ARG	1	0.773	0.854	38.673	-0.002	-0.002	0.000	0.000	0.000	0.000
477	A	477	LEU	0	-0.023	0.000	45.745	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	478	GLU	-1	-0.786	-0.891	49.240	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	479	LEU	0	-0.002	-0.007	43.020	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	480	PHE	0	0.025	0.008	46.273	-0.002	-0.002	0.000	0.000	0.000	0.000
481	A	481	LYS	1	0.806	0.899	47.522	0.002	0.002	0.000	0.000	0.000	0.000
482	A	482	LYS	1	0.839	0.900	47.381	0.000	0.000	0.000	0.000	0.000	0.000
483	A	483	ALA	0	-0.006	0.007	46.594	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	484	SER	0	-0.063	-0.041	48.617	-0.002	-0.002	0.000	0.000	0.000	0.000
485	A	485	GLN	0	0.045	0.034	50.563	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	486	LYS	1	0.907	0.971	49.213	0.019	0.019	0.000	0.000	0.000	0.000
487	A	487	GLN	0	-0.045	-0.015	50.191	-0.002	-0.002	0.000	0.000	0.000	0.000
488	A	488	GLN	0	0.051	0.018	54.556	0.000	0.000	0.000	0.000	0.000	0.000
489	A	489	GLY	0	0.013	0.025	57.521	0.000	0.000	0.000	0.000	0.000	0.000
490	A	490	PRO	0	0.086	0.018	59.300	0.000	0.000	0.000	0.000	0.000	0.000
491	A	491	GLU	-1	-0.836	-0.908	56.502	-0.015	-0.015	0.000	0.000	0.000	0.000
492	A	492	TRP	0	0.019	-0.001	49.835	0.001	0.001	0.000	0.000	0.000	0.000
493	A	493	GLU	-1	-0.910	-0.962	56.825	-0.009	-0.009	0.000	0.000	0.000	0.000
494	A	494	ARG	1	0.816	0.897	59.163	0.015	0.015	0.000	0.000	0.000	0.000
495	A	495	LEU	0	0.019	0.023	52.019	0.001	0.001	0.000	0.000	0.000	0.000
496	A	496	ARG	1	0.828	0.898	51.635	0.012	0.012	0.000	0.000	0.000	0.000
497	A	497	LYS	1	0.989	1.001	57.262	0.007	0.007	0.000	0.000	0.000	0.000
498	A	498	LEU	0	-0.018	0.005	56.375	0.001	0.001	0.000	0.000	0.000	0.000
499	A	499	LEU	0	-0.027	-0.014	51.687	0.001	0.001	0.000	0.000	0.000	0.000
500	A	500	GLU	-1	-0.855	-0.920	55.277	-0.003	-0.003	0.000	0.000	0.000	0.000
501	A	501	ARG	1	0.852	0.926	57.199	0.005	0.005	0.000	0.000	0.000	0.000
502	A	502	PRO	0	0.060	0.019	53.792	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	503	ALA	0	-0.044	-0.027	53.804	0.000	0.000	0.000	0.000	0.000	0.000
504	A	504	GLN	0	-0.057	-0.019	55.919	0.000	0.000	0.000	0.000	0.000	0.000
505	A	505	LEU	0	-0.007	0.006	51.720	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	506	LYS	1	0.932	0.966	51.371	0.008	0.008	0.000	0.000	0.000	0.000
507	A	507	ASP	-1	-0.809	-0.900	47.131	-0.010	-0.010	0.000	0.000	0.000	0.000
508	A	508	GLU	-1	-0.860	-0.936	50.016	-0.012	-0.012	0.000	0.000	0.000	0.000
509	A	509	ASP	-1	-0.895	-0.931	53.095	-0.009	-0.009	0.000	0.000	0.000	0.000
510	A	510	LEU	0	0.027	-0.004	47.962	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	511	ALA	0	-0.010	-0.005	49.554	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	512	PRO	0	-0.021	-0.010	50.569	-0.002	-0.002	0.000	0.000	0.000	0.000
513	A	513	PHE	0	0.009	0.007	52.247	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	514	GLU	-1	-0.728	-0.835	45.517	-0.023	-0.023	0.000	0.000	0.000	0.000
515	A	515	GLY	0	-0.002	0.006	48.267	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	516	LEU	0	-0.040	-0.019	50.764	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	517	ILE	0	-0.032	-0.008	44.383	0.000	0.000	0.000	0.000	0.000	0.000
518	A	518	PRO	0	-0.029	0.003	44.572	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	519	PRO	0	0.040	0.001	40.367	0.001	0.001	0.000	0.000	0.000	0.000
520	A	520	LYS	1	0.916	0.955	39.620	0.043	0.043	0.000	0.000	0.000	0.000
521	A	521	GLY	0	0.094	0.040	37.643	0.003	0.003	0.000	0.000	0.000	0.000
522	A	522	ASN	0	-0.012	0.011	38.564	0.001	0.001	0.000	0.000	0.000	0.000
523	A	523	LEU	0	0.042	0.029	40.564	0.002	0.002	0.000	0.000	0.000	0.000
524	A	524	ARG	1	0.816	0.877	40.663	0.029	0.029	0.000	0.000	0.000	0.000
525	A	525	THR	0	-0.008	-0.023	37.166	0.001	0.001	0.000	0.000	0.000	0.000
526	A	526	ALA	0	0.006	0.007	39.663	0.003	0.003	0.000	0.000	0.000	0.000
527	A	527	TRP	0	-0.025	-0.021	42.707	0.003	0.003	0.000	0.000	0.000	0.000
528	A	528	GLU	-1	-0.806	-0.889	38.668	-0.024	-0.024	0.000	0.000	0.000	0.000
529	A	529	GLY	0	-0.013	-0.006	40.613	0.002	0.002	0.000	0.000	0.000	0.000
530	A	530	LEU	0	-0.005	-0.006	41.408	0.003	0.003	0.000	0.000	0.000	0.000
531	A	531	LYS	1	0.889	0.930	42.511	0.021	0.021	0.000	0.000	0.000	0.000
532	A	532	ARG	1	0.921	0.967	35.312	0.009	0.009	0.000	0.000	0.000	0.000
533	A	533	ALA	0	0.042	0.032	42.023	0.002	0.002	0.000	0.000	0.000	0.000
534	A	534	VAL	0	-0.005	-0.013	44.335	0.002	0.002	0.000	0.000	0.000	0.000
535	A	535	HIS	1	0.777	0.846	42.502	0.010	0.010	0.000	0.000	0.000	0.000
536	A	536	THR	0	0.029	0.007	41.561	0.001	0.001	0.000	0.000	0.000	0.000
537	A	537	LEU	0	-0.017	-0.008	44.051	0.002	0.002	0.000	0.000	0.000	0.000
538	A	538	ALA	0	-0.007	-0.007	47.731	0.001	0.001	0.000	0.000	0.000	0.000
539	A	539	VAL	0	0.000	0.014	42.857	0.001	0.001	0.000	0.000	0.000	0.000
540	A	540	LEU	0	-0.012	-0.020	43.633	0.001	0.001	0.000	0.000	0.000	0.000
541	A	541	ARG	1	0.873	0.926	47.014	-0.003	-0.003	0.000	0.000	0.000	0.000
542	A	542	GLN	0	-0.072	-0.027	47.142	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	543	GLY	0	0.027	0.043	48.700	0.000	0.000	0.000	0.000	0.000	0.000
544	A	544	ILE	0	-0.003	0.004	42.473	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	545	PRO	0	-0.012	-0.010	44.980	0.002	0.002	0.000	0.000	0.000	0.000
546	A	546	HIS	0	0.004	0.016	43.095	0.003	0.003	0.000	0.000	0.000	0.000
547	A	547	GLN	0	0.022	0.008	42.392	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	548	VAL	0	-0.013	0.004	41.693	0.003	0.003	0.000	0.000	0.000	0.000
549	A	549	LEU	0	-0.002	0.016	38.802	0.000	0.000	0.000	0.000	0.000	0.000
550	A	550	ASN	0	-0.056	-0.034	40.879	0.002	0.002	0.000	0.000	0.000	0.000
551	A	551	ALA	0	0.030	0.017	40.341	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	552	LYS	1	0.867	0.952	42.473	-0.041	-0.041	0.000	0.000	0.000	0.000
553	A	553	HIS	0	0.001	-0.014	45.838	0.001	0.001	0.000	0.000	0.000	0.000
554	A	554	HIS	0	0.014	-0.005	40.613	0.000	0.000	0.000	0.000	0.000	0.000
555	A	555	ALA	0	0.019	0.030	42.518	0.001	0.001	0.000	0.000	0.000	0.000
556	A	556	ARG	1	0.914	0.934	44.139	-0.034	-0.034	0.000	0.000	0.000	0.000
557	A	557	GLU	-1	-0.770	-0.892	41.927	0.049	0.049	0.000	0.000	0.000	0.000
558	A	558	ALA	0	0.008	0.016	39.870	0.000	0.000	0.000	0.000	0.000	0.000
559	A	559	GLU	-1	-0.764	-0.892	40.372	0.039	0.039	0.000	0.000	0.000	0.000
560	A	560	ILE	0	-0.021	0.003	41.660	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	561	VAL	0	-0.035	-0.022	36.192	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	562	ALA	0	-0.006	-0.002	37.549	0.000	0.000	0.000	0.000	0.000	0.000
563	A	563	GLN	0	0.026	0.017	38.389	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	564	ALA	0	-0.022	-0.007	36.454	-0.003	-0.003	0.000	0.000	0.000	0.000
565	A	565	GLY	0	-0.002	-0.005	35.061	0.000	0.000	0.000	0.000	0.000	0.000
566	A	566	ARG	1	0.826	0.890	35.706	-0.014	-0.014	0.000	0.000	0.000	0.000
567	A	567	SER	0	-0.020	-0.033	37.829	0.002	0.002	0.000	0.000	0.000	0.000
568	A	568	LYS	1	0.899	0.958	38.679	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	569	THR	0	-0.021	-0.010	38.875	0.001	0.001	0.000	0.000	0.000	0.000
570	A	570	VAL	0	0.017	0.002	38.463	0.001	0.001	0.000	0.000	0.000	0.000
571	A	571	THR	0	0.013	0.006	37.071	0.000	0.000	0.000	0.000	0.000	0.000
572	A	572	ILE	0	-0.035	-0.027	37.529	0.002	0.002	0.000	0.000	0.000	0.000
573	A	573	ALA	0	0.033	0.020	35.450	0.000	0.000	0.000	0.000	0.000	0.000
574	A	574	THR	0	-0.023	-0.021	36.308	0.004	0.004	0.000	0.000	0.000	0.000
575	A	575	ASN	0	-0.049	-0.024	35.248	0.007	0.007	0.000	0.000	0.000	0.000
576	A	576	MET	0	0.001	0.007	31.961	0.004	0.004	0.000	0.000	0.000	0.000
577	A	577	ALA	0	0.010	0.008	34.467	0.001	0.001	0.000	0.000	0.000	0.000
578	A	578	GLY	0	0.057	0.035	36.458	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	579	ARG	1	0.792	0.868	31.403	-0.119	-0.119	0.000	0.000	0.000	0.000
580	A	580	GLY	0	0.080	0.041	33.283	-0.003	-0.003	0.000	0.000	0.000	0.000
581	A	581	THR	0	0.005	0.010	34.336	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	582	ASP	-1	-0.817	-0.888	30.979	0.069	0.069	0.000	0.000	0.000	0.000
583	A	583	ILE	0	-0.009	0.005	32.369	-0.006	-0.006	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.775	0.871	32.360	-0.048	-0.048	0.000	0.000	0.000	0.000
585	A	585	LEU	0	-0.045	-0.020	30.353	0.000	0.000	0.000	0.000	0.000	0.000
586	A	586	GLY	0	0.075	0.019	34.684	-0.005	-0.005	0.000	0.000	0.000	0.000
587	A	587	GLY	0	-0.008	0.013	38.168	0.001	0.001	0.000	0.000	0.000	0.000
588	A	588	ASN	0	-0.033	-0.033	39.537	0.000	0.000	0.000	0.000	0.000	0.000
589	A	589	PRO	0	0.009	-0.017	39.337	0.000	0.000	0.000	0.000	0.000	0.000
590	A	590	GLU	-1	-0.869	-0.921	41.870	0.033	0.033	0.000	0.000	0.000	0.000
591	A	591	TYR	0	0.006	-0.025	43.524	-0.002	-0.002	0.000	0.000	0.000	0.000
592	A	592	LEU	0	-0.045	-0.002	43.796	-0.002	-0.002	0.000	0.000	0.000	0.000
593	A	593	ALA	0	0.040	0.012	46.145	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	594	ALA	0	-0.020	-0.013	47.700	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	595	ALA	0	-0.012	-0.008	49.655	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	596	LEU	0	0.010	0.003	50.081	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	597	LEU	0	-0.015	0.006	49.996	0.000	0.000	0.000	0.000	0.000	0.000
598	A	598	GLU	-1	-0.932	-0.936	53.541	0.015	0.015	0.000	0.000	0.000	0.000
599	A	599	LYS	1	0.795	0.868	56.151	-0.015	-0.015	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.873	-0.933	55.121	0.015	0.015	0.000	0.000	0.000	0.000
601	A	601	GLY	0	0.005	0.009	53.819	0.001	0.001	0.000	0.000	0.000	0.000
602	A	602	PHE	0	0.025	0.010	47.991	0.000	0.000	0.000	0.000	0.000	0.000
603	A	603	ASP	-1	-0.888	-0.951	50.765	0.035	0.035	0.000	0.000	0.000	0.000
604	A	604	ARG	1	0.905	0.958	51.809	-0.020	-0.020	0.000	0.000	0.000	0.000
605	A	605	TYR	0	0.004	-0.032	52.604	0.000	0.000	0.000	0.000	0.000	0.000
606	A	606	GLU	-1	-0.744	-0.816	46.167	0.036	0.036	0.000	0.000	0.000	0.000
607	A	607	TRP	0	0.018	0.004	46.794	-0.001	-0.001	0.000	0.000	0.000	0.000
608	A	608	LYS	1	0.775	0.856	48.390	-0.021	-0.021	0.000	0.000	0.000	0.000
609	A	609	VAL	0	0.043	0.023	48.832	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	610	GLU	-1	-0.823	-0.898	43.369	0.036	0.036	0.000	0.000	0.000	0.000
611	A	611	LEU	0	-0.047	-0.001	43.507	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	612	PHE	0	0.031	0.010	45.043	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	613	ILE	0	-0.002	0.012	43.441	-0.002	-0.002	0.000	0.000	0.000	0.000
614	A	614	LYS	1	0.890	0.958	37.078	-0.024	-0.024	0.000	0.000	0.000	0.000
615	A	615	LYS	1	0.833	0.897	41.645	-0.018	-0.018	0.000	0.000	0.000	0.000
616	A	616	MET	0	0.021	0.023	43.799	-0.003	-0.003	0.000	0.000	0.000	0.000
617	A	617	VAL	0	-0.023	-0.023	39.674	-0.003	-0.003	0.000	0.000	0.000	0.000
618	A	618	ALA	0	-0.083	-0.039	39.577	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	619	GLY	0	-0.019	-0.006	40.531	-0.003	-0.003	0.000	0.000	0.000	0.000
620	A	620	LYS	1	0.763	0.864	41.072	-0.005	-0.005	0.000	0.000	0.000	0.000
621	A	621	GLU	-1	-0.767	-0.863	44.792	-0.002	-0.002	0.000	0.000	0.000	0.000
622	A	622	GLU	-1	-0.788	-0.898	45.371	0.001	0.001	0.000	0.000	0.000	0.000
623	A	623	GLU	-1	-0.820	-0.885	44.027	0.012	0.012	0.000	0.000	0.000	0.000
624	A	624	ALA	0	-0.007	-0.001	47.672	0.002	0.002	0.000	0.000	0.000	0.000
625	A	625	ARG	1	0.826	0.877	49.245	0.002	0.002	0.000	0.000	0.000	0.000
626	A	626	ALA	0	-0.026	-0.008	51.314	0.000	0.000	0.000	0.000	0.000	0.000
627	A	627	LEU	0	0.014	-0.002	47.323	0.001	0.001	0.000	0.000	0.000	0.000
628	A	628	ALA	0	0.002	-0.003	51.883	0.001	0.001	0.000	0.000	0.000	0.000
629	A	629	GLN	0	-0.016	-0.008	54.036	0.000	0.000	0.000	0.000	0.000	0.000
630	A	630	GLU	-1	-0.848	-0.885	52.971	0.017	0.017	0.000	0.000	0.000	0.000
631	A	631	LEU	0	-0.062	-0.009	52.018	0.002	0.002	0.000	0.000	0.000	0.000
632	A	632	GLY	0	0.003	-0.002	56.757	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	633	ILE	0	-0.028	-0.008	52.463	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	634	ARG	1	0.936	0.957	56.711	-0.008	-0.008	0.000	0.000	0.000	0.000
635	A	635	GLU	-1	-0.773	-0.895	56.036	0.002	0.002	0.000	0.000	0.000	0.000
636	A	636	GLU	-1	-0.962	-0.956	56.396	0.007	0.007	0.000	0.000	0.000	0.000
637	A	637	LEU	0	0.031	0.014	54.441	0.000	0.000	0.000	0.000	0.000	0.000
638	A	638	LEU	0	-0.017	-0.018	51.058	0.000	0.000	0.000	0.000	0.000	0.000
639	A	639	GLU	-1	-0.858	-0.909	51.532	-0.002	-0.002	0.000	0.000	0.000	0.000
640	A	640	ARG	1	0.833	0.903	48.931	-0.006	-0.006	0.000	0.000	0.000	0.000
641	A	641	ILE	0	0.000	-0.010	47.530	0.001	0.001	0.000	0.000	0.000	0.000
642	A	642	ARG	1	0.784	0.861	47.334	0.000	0.000	0.000	0.000	0.000	0.000
643	A	643	GLU	-1	-0.847	-0.905	47.117	0.000	0.000	0.000	0.000	0.000	0.000
644	A	644	ILE	0	-0.022	-0.013	44.944	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	645	ARG	1	0.775	0.862	42.493	0.003	0.003	0.000	0.000	0.000	0.000
646	A	646	GLU	-1	-0.753	-0.859	42.439	-0.006	-0.006	0.000	0.000	0.000	0.000
647	A	647	GLU	-1	-0.830	-0.882	43.280	0.004	0.004	0.000	0.000	0.000	0.000
648	A	648	CYS	0	-0.044	-0.028	40.342	0.001	0.001	0.000	0.000	0.000	0.000
649	A	649	LYS	1	0.853	0.922	36.032	0.004	0.004	0.000	0.000	0.000	0.000
650	A	650	GLN	0	-0.009	-0.014	38.477	-0.002	-0.002	0.000	0.000	0.000	0.000
651	A	651	ASP	-1	-0.778	-0.845	39.366	0.002	0.002	0.000	0.000	0.000	0.000
652	A	652	GLU	-1	-0.833	-0.892	33.684	-0.008	-0.008	0.000	0.000	0.000	0.000
653	A	653	GLU	-1	-0.935	-0.965	34.384	-0.022	-0.022	0.000	0.000	0.000	0.000
654	A	654	ARG	1	0.917	0.945	34.778	0.005	0.005	0.000	0.000	0.000	0.000
655	A	655	VAL	0	0.025	0.020	32.891	-0.002	-0.002	0.000	0.000	0.000	0.000
656	A	656	ARG	1	0.829	0.899	29.114	0.022	0.022	0.000	0.000	0.000	0.000
657	A	657	ALA	0	-0.021	-0.004	30.286	-0.004	-0.004	0.000	0.000	0.000	0.000
658	A	658	LEU	0	-0.021	0.000	32.019	-0.004	-0.004	0.000	0.000	0.000	0.000
659	A	659	GLY	0	-0.026	-0.002	29.057	0.000	0.000	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.005	0.003	28.266	0.005	0.005	0.000	0.000	0.000	0.000
661	A	661	LEU	0	-0.009	-0.021	30.125	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	662	PHE	0	-0.047	-0.012	26.666	0.004	0.004	0.000	0.000	0.000	0.000
663	A	663	ILE	0	0.012	0.016	28.007	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	664	ILE	0	-0.007	-0.007	29.114	0.000	0.000	0.000	0.000	0.000	0.000
665	A	665	GLY	0	0.037	0.018	29.838	0.000	0.000	0.000	0.000	0.000	0.000
666	A	666	THR	0	-0.008	-0.036	31.009	-0.003	-0.003	0.000	0.000	0.000	0.000
667	A	667	GLU	-1	-0.797	-0.890	32.367	0.066	0.066	0.000	0.000	0.000	0.000
668	A	668	ARG	1	0.700	0.803	23.134	-0.157	-0.157	0.000	0.000	0.000	0.000
669	A	669	HIS	0	0.058	0.018	29.402	0.003	0.003	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.809	-0.882	29.462	0.126	0.126	0.000	0.000	0.000	0.000
671	A	671	SER	0	-0.019	-0.050	25.248	0.012	0.012	0.000	0.000	0.000	0.000
672	A	672	ARG	1	0.905	0.941	18.937	-0.350	-0.350	0.000	0.000	0.000	0.000
673	A	673	ARG	1	0.750	0.842	23.119	-0.226	-0.226	0.000	0.000	0.000	0.000
674	A	674	ILE	0	0.031	0.018	24.000	-0.012	-0.012	0.000	0.000	0.000	0.000
675	A	675	ASP	-1	-0.782	-0.879	24.613	0.161	0.161	0.000	0.000	0.000	0.000
676	A	676	ASN	0	-0.021	-0.039	20.795	-0.013	-0.013	0.000	0.000	0.000	0.000
677	A	677	GLN	0	-0.022	0.000	23.682	-0.022	-0.022	0.000	0.000	0.000	0.000
678	A	678	LEU	0	-0.069	-0.029	26.267	-0.016	-0.016	0.000	0.000	0.000	0.000
679	A	679	ARG	1	0.813	0.896	22.187	-0.158	-0.158	0.000	0.000	0.000	0.000
680	A	680	GLY	0	-0.007	-0.013	23.761	-0.011	-0.011	0.000	0.000	0.000	0.000
681	A	681	ARG	1	0.857	0.931	24.724	-0.099	-0.099	0.000	0.000	0.000	0.000
682	A	682	ALA	0	0.001	0.015	26.351	-0.012	-0.012	0.000	0.000	0.000	0.000
683	A	683	GLY	0	0.000	-0.004	24.082	0.011	0.011	0.000	0.000	0.000	0.000
684	A	684	ARG	1	0.802	0.889	23.910	-0.037	-0.037	0.000	0.000	0.000	0.000
685	A	685	GLN	0	0.015	0.000	24.810	0.002	0.002	0.000	0.000	0.000	0.000
686	A	686	GLY	0	0.019	0.012	22.434	-0.014	-0.014	0.000	0.000	0.000	0.000
687	A	687	ASP	-1	-0.896	-0.931	23.354	0.008	0.008	0.000	0.000	0.000	0.000
688	A	688	PRO	0	-0.013	-0.015	24.674	0.006	0.006	0.000	0.000	0.000	0.000
689	A	689	GLY	0	0.065	0.018	25.212	0.009	0.009	0.000	0.000	0.000	0.000
690	A	690	GLY	0	-0.044	-0.025	24.183	-0.008	-0.008	0.000	0.000	0.000	0.000
691	A	691	SER	0	-0.035	-0.040	23.777	0.007	0.007	0.000	0.000	0.000	0.000
692	A	692	ARG	1	0.851	0.930	25.100	-0.029	-0.029	0.000	0.000	0.000	0.000
693	A	693	PHE	0	0.000	0.014	26.200	0.002	0.002	0.000	0.000	0.000	0.000
694	A	694	TYR	0	-0.042	-0.040	28.203	-0.007	-0.007	0.000	0.000	0.000	0.000
695	A	695	VAL	0	-0.001	-0.005	28.545	0.006	0.006	0.000	0.000	0.000	0.000
696	A	696	SER	0	-0.012	-0.035	31.860	-0.009	-0.009	0.000	0.000	0.000	0.000
697	A	697	PHE	0	0.002	-0.013	32.439	0.005	0.005	0.000	0.000	0.000	0.000
698	A	698	ASP	-1	-0.765	-0.851	35.844	0.042	0.042	0.000	0.000	0.000	0.000
699	A	699	ASP	-1	-0.825	-0.876	33.947	0.073	0.073	0.000	0.000	0.000	0.000
700	A	700	ASP	-1	-0.757	-0.879	36.006	0.069	0.069	0.000	0.000	0.000	0.000
701	A	701	LEU	0	0.011	0.017	28.839	0.002	0.002	0.000	0.000	0.000	0.000
702	A	702	MET	0	-0.019	-0.012	30.256	0.007	0.007	0.000	0.000	0.000	0.000
703	A	703	ARG	1	0.791	0.863	33.540	-0.064	-0.064	0.000	0.000	0.000	0.000
704	A	704	LEU	0	-0.030	0.004	36.422	-0.002	-0.002	0.000	0.000	0.000	0.000
705	A	705	PHE	0	0.003	0.003	32.335	0.004	0.004	0.000	0.000	0.000	0.000
706	A	706	ALA	0	0.048	0.020	31.538	0.007	0.007	0.000	0.000	0.000	0.000
707	A	707	SER	0	-0.035	-0.028	32.282	0.000	0.000	0.000	0.000	0.000	0.000
708	A	708	ASP	-1	-0.715	-0.824	34.137	0.070	0.070	0.000	0.000	0.000	0.000
709	A	709	ARG	1	0.894	0.931	30.579	-0.062	-0.062	0.000	0.000	0.000	0.000
710	A	710	VAL	0	-0.074	-0.038	30.729	-0.004	-0.004	0.000	0.000	0.000	0.000
711	A	711	ILE	0	0.087	0.050	33.703	-0.005	-0.005	0.000	0.000	0.000	0.000
712	A	712	ALA	0	-0.015	-0.001	36.398	-0.005	-0.005	0.000	0.000	0.000	0.000
713	A	713	MET	0	-0.070	-0.051	34.383	-0.005	-0.005	0.000	0.000	0.000	0.000
714	A	714	LEU	0	-0.007	-0.007	31.119	-0.004	-0.004	0.000	0.000	0.000	0.000
715	A	715	ASP	-1	-0.747	-0.845	34.997	0.029	0.029	0.000	0.000	0.000	0.000
716	A	716	ARG	1	0.873	0.937	38.473	-0.036	-0.036	0.000	0.000	0.000	0.000
717	A	717	MET	0	-0.078	-0.029	32.302	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	718	GLY	0	0.003	0.012	36.873	-0.003	-0.003	0.000	0.000	0.000	0.000
719	A	719	PHE	0	-0.029	-0.025	31.809	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	720	ASP	-1	-0.868	-0.939	37.319	0.008	0.008	0.000	0.000	0.000	0.000
721	A	721	ASP	-1	-0.929	-0.955	38.219	0.016	0.016	0.000	0.000	0.000	0.000
722	A	722	SER	0	-0.033	-0.031	40.252	0.002	0.002	0.000	0.000	0.000	0.000
723	A	723	GLU	-1	-0.807	-0.869	36.512	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	724	PRO	0	-0.017	-0.011	31.688	0.004	0.004	0.000	0.000	0.000	0.000
725	A	725	ILE	0	-0.028	0.001	30.770	-0.004	-0.004	0.000	0.000	0.000	0.000
726	A	726	GLU	-1	-0.928	-0.954	26.461	0.006	0.006	0.000	0.000	0.000	0.000
727	A	727	HIS	0	0.060	0.012	27.539	-0.002	-0.002	0.000	0.000	0.000	0.000
728	A	728	PRO	0	0.020	0.002	23.754	0.010	0.010	0.000	0.000	0.000	0.000
729	A	729	MET	0	-0.054	-0.024	24.989	0.015	0.015	0.000	0.000	0.000	0.000
730	A	730	VAL	0	0.068	0.053	27.659	0.010	0.010	0.000	0.000	0.000	0.000
731	A	731	THR	0	0.038	0.016	22.946	0.009	0.009	0.000	0.000	0.000	0.000
732	A	732	ARG	1	0.910	0.951	21.037	-0.033	-0.033	0.000	0.000	0.000	0.000
733	A	733	SER	0	-0.038	-0.046	23.920	0.013	0.013	0.000	0.000	0.000	0.000
734	A	734	ILE	0	0.059	0.030	25.760	0.006	0.006	0.000	0.000	0.000	0.000
735	A	735	GLU	-1	-0.781	-0.856	20.798	0.187	0.187	0.000	0.000	0.000	0.000
736	A	736	ARG	1	0.883	0.942	21.426	-0.118	-0.118	0.000	0.000	0.000	0.000
737	A	737	ALA	0	-0.009	0.007	25.104	0.003	0.003	0.000	0.000	0.000	0.000
738	A	738	GLN	0	0.032	0.011	24.801	0.015	0.015	0.000	0.000	0.000	0.000
739	A	739	LYS	1	0.836	0.899	21.053	-0.242	-0.242	0.000	0.000	0.000	0.000
740	A	740	ARG	1	0.882	0.932	25.112	-0.111	-0.111	0.000	0.000	0.000	0.000
741	A	741	VAL	0	-0.044	-0.019	28.449	-0.005	-0.005	0.000	0.000	0.000	0.000
742	A	742	GLU	-1	-0.748	-0.807	23.456	0.259	0.259	0.000	0.000	0.000	0.000
743	A	743	ASP	-1	-0.813	-0.890	24.893	0.219	0.219	0.000	0.000	0.000	0.000
744	A	744	ARG	1	0.882	0.948	27.636	-0.120	-0.120	0.000	0.000	0.000	0.000
745	A	745	ASN	0	0.015	-0.009	30.761	-0.012	-0.012	0.000	0.000	0.000	0.000
746	A	746	PHE	0	-0.016	0.009	27.467	-0.003	-0.003	0.000	0.000	0.000	0.000
747	A	747	ALA	0	-0.020	-0.016	29.815	-0.004	-0.004	0.000	0.000	0.000	0.000
748	A	748	ILE	0	-0.007	0.002	32.008	-0.006	-0.006	0.000	0.000	0.000	0.000
749	A	749	ARG	1	0.845	0.923	28.089	-0.194	-0.194	0.000	0.000	0.000	0.000
750	A	750	LYS	1	0.910	0.956	30.281	-0.162	-0.162	0.000	0.000	0.000	0.000
751	A	751	GLN	0	-0.039	-0.024	33.355	-0.007	-0.007	0.000	0.000	0.000	0.000
752	A	752	LEU	0	0.017	0.014	36.669	-0.005	-0.005	0.000	0.000	0.000	0.000
753	A	753	LEU	0	0.001	0.001	33.396	-0.004	-0.004	0.000	0.000	0.000	0.000
754	A	754	GLN	0	-0.010	-0.006	34.848	0.005	0.005	0.000	0.000	0.000	0.000
755	A	755	PHE	0	0.019	0.001	38.135	-0.004	-0.004	0.000	0.000	0.000	0.000
756	A	756	ASP	-1	-0.755	-0.855	40.480	0.089	0.089	0.000	0.000	0.000	0.000
757	A	757	ASP	-1	-0.811	-0.891	37.806	0.124	0.124	0.000	0.000	0.000	0.000
758	A	758	VAL	0	-0.018	-0.013	40.365	-0.002	-0.002	0.000	0.000	0.000	0.000
759	A	759	LEU	0	0.045	0.031	43.384	-0.002	-0.002	0.000	0.000	0.000	0.000
760	A	760	SER	0	-0.053	-0.017	40.722	-0.004	-0.004	0.000	0.000	0.000	0.000
761	A	761	ARG	1	0.921	0.954	38.738	-0.112	-0.112	0.000	0.000	0.000	0.000
762	A	762	GLN	0	0.002	0.018	45.402	-0.004	-0.004	0.000	0.000	0.000	0.000
763	A	763	ARG	1	0.794	0.859	42.731	-0.094	-0.094	0.000	0.000	0.000	0.000
764	A	764	GLU	-1	-0.968	-0.974	44.290	0.090	0.090	0.000	0.000	0.000	0.000
765	A	765	VAL	0	0.017	0.010	47.549	-0.002	-0.002	0.000	0.000	0.000	0.000
766	A	766	ILE	0	0.063	0.034	50.826	-0.002	-0.002	0.000	0.000	0.000	0.000
767	A	767	TYR	0	-0.031	-0.033	48.044	-0.002	-0.002	0.000	0.000	0.000	0.000
768	A	768	ALA	0	-0.018	0.002	50.383	-0.002	-0.002	0.000	0.000	0.000	0.000
769	A	769	GLN	0	0.011	0.006	52.274	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	770	ARG	1	0.851	0.913	55.267	-0.055	-0.055	0.000	0.000	0.000	0.000
771	A	771	ARG	1	0.862	0.897	47.772	-0.074	-0.074	0.000	0.000	0.000	0.000
772	A	772	LEU	0	0.013	0.018	55.425	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	773	ILE	0	0.023	0.019	57.171	-0.002	-0.002	0.000	0.000	0.000	0.000
774	A	774	LEU	0	-0.045	-0.022	57.274	-0.002	-0.002	0.000	0.000	0.000	0.000
775	A	775	LEU	0	-0.064	-0.032	54.871	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	776	GLY	0	-0.024	-0.015	58.570	-0.001	-0.001	0.000	0.000	0.000	0.000
777	A	777	LYS	1	0.833	0.891	57.086	-0.053	-0.053	0.000	0.000	0.000	0.000
778	A	778	ASP	-1	-0.795	-0.904	61.762	0.039	0.039	0.000	0.000	0.000	0.000
779	A	779	GLU	-1	-0.931	-0.946	63.227	0.039	0.039	0.000	0.000	0.000	0.000
780	A	780	GLU	-1	-0.778	-0.887	58.023	0.052	0.052	0.000	0.000	0.000	0.000
781	A	781	VAL	0	-0.070	-0.027	61.839	0.001	0.001	0.000	0.000	0.000	0.000
782	A	782	LYS	1	0.816	0.869	63.608	-0.036	-0.036	0.000	0.000	0.000	0.000
783	A	783	GLU	-1	-0.907	-0.945	62.773	0.042	0.042	0.000	0.000	0.000	0.000
784	A	784	ALA	0	-0.046	-0.025	60.648	0.000	0.000	0.000	0.000	0.000	0.000
785	A	785	ALA	0	-0.042	-0.028	62.364	0.000	0.000	0.000	0.000	0.000	0.000
786	A	786	ILE	0	0.004	0.003	65.580	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	787	GLY	0	0.089	0.054	63.337	0.000	0.000	0.000	0.000	0.000	0.000
788	A	788	MET	0	-0.086	-0.042	62.096	0.001	0.001	0.000	0.000	0.000	0.000
789	A	789	VAL	0	-0.012	0.007	64.474	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	790	GLU	-1	-0.889	-0.947	65.734	0.041	0.041	0.000	0.000	0.000	0.000
791	A	791	GLU	-1	-0.796	-0.881	60.484	0.050	0.050	0.000	0.000	0.000	0.000
792	A	792	THR	0	-0.057	-0.023	64.933	0.000	0.000	0.000	0.000	0.000	0.000
793	A	793	VAL	0	-0.019	-0.023	67.200	-0.001	-0.001	0.000	0.000	0.000	0.000
794	A	794	ALA	0	0.042	0.029	66.826	-0.001	-0.001	0.000	0.000	0.000	0.000
795	A	795	SER	0	0.018	-0.002	64.885	0.000	0.000	0.000	0.000	0.000	0.000
796	A	796	LEU	0	-0.099	-0.026	67.236	0.000	0.000	0.000	0.000	0.000	0.000
797	A	797	ALA	0	0.062	0.033	70.171	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	798	GLU	-1	-0.840	-0.923	66.768	0.039	0.039	0.000	0.000	0.000	0.000
799	A	799	ASN	0	-0.019	-0.009	68.576	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	PHE	0	-0.048	-0.026	69.520	0.000	0.000	0.000	0.000	0.000	0.000
801	A	801	LEU	0	-0.030	-0.004	72.925	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	802	ASN	0	-0.033	-0.026	68.099	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	803	PRO	0	0.028	0.046	71.147	0.001	0.001	0.000	0.000	0.000	0.000
804	A	804	GLU	-1	-0.879	-0.965	70.710	0.034	0.034	0.000	0.000	0.000	0.000
805	A	805	VAL	0	-0.106	-0.036	73.954	-0.001	-0.001	0.000	0.000	0.000	0.000
806	A	806	HIS	0	-0.017	-0.008	74.875	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	PRO	0	0.051	0.025	78.576	0.000	0.000	0.000	0.000	0.000	0.000
808	A	808	GLU	-1	-0.945	-1.000	81.491	0.025	0.025	0.000	0.000	0.000	0.000
809	A	809	ASP	-1	-0.878	-0.936	77.127	0.028	0.028	0.000	0.000	0.000	0.000
810	A	810	TRP	0	-0.004	-0.006	74.989	0.000	0.000	0.000	0.000	0.000	0.000
811	A	811	ASP	-1	-0.819	-0.895	79.641	0.026	0.026	0.000	0.000	0.000	0.000
812	A	812	LEU	0	-0.012	0.012	80.656	0.001	0.001	0.000	0.000	0.000	0.000
813	A	813	GLU	-1	-0.824	-0.936	77.915	0.028	0.028	0.000	0.000	0.000	0.000
814	A	814	GLY	0	0.048	0.025	76.485	0.001	0.001	0.000	0.000	0.000	0.000
815	A	815	LEU	0	-0.006	0.002	77.348	0.000	0.000	0.000	0.000	0.000	0.000
816	A	816	LYS	1	0.772	0.904	79.712	-0.027	-0.027	0.000	0.000	0.000	0.000
817	A	817	ALA	0	0.060	0.023	74.356	0.000	0.000	0.000	0.000	0.000	0.000
818	A	818	THR	0	0.040	0.007	75.288	0.001	0.001	0.000	0.000	0.000	0.000
819	A	819	LEU	0	-0.020	-0.023	76.356	0.000	0.000	0.000	0.000	0.000	0.000
820	A	820	LEU	0	-0.093	-0.028	73.967	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	821	ASP	-1	-0.718	-0.845	71.220	0.035	0.035	0.000	0.000	0.000	0.000
822	A	822	THR	0	-0.003	-0.002	74.026	0.001	0.001	0.000	0.000	0.000	0.000
823	A	823	ALA	0	-0.034	-0.012	76.639	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	824	PRO	0	-0.015	-0.007	78.991	-0.001	-0.001	0.000	0.000	0.000	0.000
825	A	825	GLN	0	-0.009	-0.004	81.074	0.000	0.000	0.000	0.000	0.000	0.000
826	A	826	LEU	0	0.019	0.003	80.072	0.000	0.000	0.000	0.000	0.000	0.000
827	A	827	GLN	0	0.060	0.025	83.471	0.000	0.000	0.000	0.000	0.000	0.000
828	A	828	ASP	-1	-0.901	-0.945	85.949	0.023	0.023	0.000	0.000	0.000	0.000
829	A	829	PHE	0	-0.020	-0.019	85.822	0.000	0.000	0.000	0.000	0.000	0.000
830	A	830	PRO	0	0.048	0.022	81.763	0.000	0.000	0.000	0.000	0.000	0.000
831	A	831	PHE	0	0.015	0.019	82.926	0.000	0.000	0.000	0.000	0.000	0.000
832	A	832	ALA	0	-0.048	-0.023	85.239	0.000	0.000	0.000	0.000	0.000	0.000
833	A	833	GLU	-1	-0.854	-0.918	81.017	0.026	0.026	0.000	0.000	0.000	0.000
834	A	834	LEU	0	0.032	0.012	77.690	0.000	0.000	0.000	0.000	0.000	0.000
835	A	835	ARG	1	0.780	0.902	80.134	-0.025	-0.025	0.000	0.000	0.000	0.000
836	A	836	ALA	0	-0.068	-0.033	82.599	0.000	0.000	0.000	0.000	0.000	0.000
837	A	837	LEU	0	-0.098	-0.053	78.438	0.000	0.000	0.000	0.000	0.000	0.000
838	A	838	LYS	1	0.814	0.919	71.718	-0.033	-0.033	0.000	0.000	0.000	0.000
839	A	839	ALA	0	0.066	0.017	72.112	0.000	0.000	0.000	0.000	0.000	0.000
840	A	840	GLU	-1	-0.890	-0.935	71.642	0.032	0.032	0.000	0.000	0.000	0.000
841	A	841	GLU	-1	-0.952	-0.978	72.681	0.032	0.032	0.000	0.000	0.000	0.000
842	A	842	ALA	0	-0.054	-0.037	74.259	-0.001	-0.001	0.000	0.000	0.000	0.000
843	A	843	VAL	0	-0.009	-0.005	68.584	0.000	0.000	0.000	0.000	0.000	0.000
844	A	844	GLU	-1	-0.892	-0.949	69.155	0.038	0.038	0.000	0.000	0.000	0.000
845	A	845	ARG	1	0.800	0.875	72.231	-0.028	-0.028	0.000	0.000	0.000	0.000
846	A	846	LEU	0	-0.044	-0.016	73.826	-0.001	-0.001	0.000	0.000	0.000	0.000
847	A	847	VAL	0	0.029	0.020	69.743	0.000	0.000	0.000	0.000	0.000	0.000
848	A	848	GLU	-1	-0.854	-0.913	72.878	0.030	0.030	0.000	0.000	0.000	0.000
849	A	849	ALA	0	-0.029	-0.016	75.667	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	850	ALA	0	-0.001	0.004	73.388	0.000	0.000	0.000	0.000	0.000	0.000
851	A	851	LEU	0	0.043	0.018	70.730	0.000	0.000	0.000	0.000	0.000	0.000
852	A	852	LYS	1	0.796	0.890	74.666	-0.030	-0.030	0.000	0.000	0.000	0.000
853	A	853	ALA	0	-0.005	-0.003	77.563	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	854	TYR	0	0.046	0.013	70.201	0.000	0.000	0.000	0.000	0.000	0.000
855	A	855	GLU	-1	-0.839	-0.915	75.867	0.029	0.029	0.000	0.000	0.000	0.000
856	A	856	ALA	0	-0.021	-0.006	77.732	-0.001	-0.001	0.000	0.000	0.000	0.000
857	A	857	ARG	1	0.795	0.875	75.850	-0.030	-0.030	0.000	0.000	0.000	0.000
858	A	858	GLU	-1	-0.864	-0.958	73.184	0.033	0.033	0.000	0.000	0.000	0.000
859	A	859	ALA	0	-0.063	-0.042	77.608	0.000	0.000	0.000	0.000	0.000	0.000
860	A	860	GLU	-1	-0.912	-0.925	80.426	0.027	0.027	0.000	0.000	0.000	0.000
861	A	861	LEU	0	-0.054	-0.022	76.047	0.000	0.000	0.000	0.000	0.000	0.000
862	A	862	SER	0	0.019	0.010	77.622	0.001	0.001	0.000	0.000	0.000	0.000
863	A	863	PRO	0	0.094	0.045	74.221	0.001	0.001	0.000	0.000	0.000	0.000
864	A	864	PRO	0	-0.074	-0.034	72.566	0.001	0.001	0.000	0.000	0.000	0.000
865	A	865	LEU	0	0.017	0.007	72.487	0.001	0.001	0.000	0.000	0.000	0.000
866	A	866	MET	0	0.002	0.056	72.427	0.001	0.001	0.000	0.000	0.000	0.000
867	A	867	ARG	1	0.910	0.937	68.399	-0.034	-0.034	0.000	0.000	0.000	0.000
868	A	868	ALA	0	-0.066	-0.023	68.506	0.001	0.001	0.000	0.000	0.000	0.000
869	A	869	VAL	0	0.022	0.005	69.490	0.001	0.001	0.000	0.000	0.000	0.000
870	A	870	GLU	-1	-0.756	-0.879	66.998	0.038	0.038	0.000	0.000	0.000	0.000
871	A	871	ARG	1	0.828	0.915	63.451	-0.040	-0.040	0.000	0.000	0.000	0.000
872	A	872	PHE	0	-0.029	-0.013	65.105	0.001	0.001	0.000	0.000	0.000	0.000
873	A	873	VAL	0	0.025	-0.007	66.742	0.001	0.001	0.000	0.000	0.000	0.000
874	A	874	ILE	0	0.029	0.022	61.487	0.001	0.001	0.000	0.000	0.000	0.000
875	A	875	LEU	0	-0.038	-0.019	60.261	0.002	0.002	0.000	0.000	0.000	0.000
876	A	876	ASN	0	-0.042	-0.010	62.232	0.001	0.001	0.000	0.000	0.000	0.000
877	A	877	VAL	0	0.055	0.029	63.154	0.001	0.001	0.000	0.000	0.000	0.000
878	A	878	VAL	0	-0.006	-0.001	57.757	0.001	0.001	0.000	0.000	0.000	0.000
879	A	879	ASP	-1	-0.822	-0.883	58.850	0.051	0.051	0.000	0.000	0.000	0.000
880	A	880	ASN	0	-0.010	-0.010	59.598	0.001	0.001	0.000	0.000	0.000	0.000
881	A	881	ALA	0	0.051	0.024	60.082	0.001	0.001	0.000	0.000	0.000	0.000
882	A	882	TRP	0	0.010	-0.012	49.950	0.003	0.003	0.000	0.000	0.000	0.000
883	A	883	LYS	1	0.804	0.890	55.571	-0.047	-0.047	0.000	0.000	0.000	0.000
884	A	884	GLU	-1	-0.794	-0.879	56.696	0.048	0.048	0.000	0.000	0.000	0.000
885	A	885	HIS	0	-0.026	-0.022	51.312	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	886	LEU	0	-0.056	-0.029	50.552	0.003	0.003	0.000	0.000	0.000	0.000
887	A	887	HIS	0	-0.022	-0.020	52.816	0.001	0.001	0.000	0.000	0.000	0.000
888	A	888	ASN	0	-0.003	-0.012	54.772	0.000	0.000	0.000	0.000	0.000	0.000
889	A	889	LEU	0	-0.025	-0.007	49.203	0.002	0.002	0.000	0.000	0.000	0.000
890	A	890	ASP	-1	-0.831	-0.900	49.161	0.073	0.073	0.000	0.000	0.000	0.000
891	A	891	VAL	0	-0.021	-0.006	51.016	0.000	0.000	0.000	0.000	0.000	0.000
892	A	892	LEU	0	0.004	0.002	50.329	0.000	0.000	0.000	0.000	0.000	0.000
893	A	893	ARG	1	0.724	0.842	44.565	-0.080	-0.080	0.000	0.000	0.000	0.000
894	A	894	GLN	0	-0.066	-0.038	47.433	0.003	0.003	0.000	0.000	0.000	0.000
895	A	895	GLY	0	0.054	0.041	49.768	-0.003	-0.003	0.000	0.000	0.000	0.000
896	A	896	ILE	0	-0.039	-0.032	47.429	0.000	0.000	0.000	0.000	0.000	0.000
897	A	897	PHE	0	-0.054	-0.012	45.391	0.001	0.001	0.000	0.000	0.000	0.000
898	A	898	LEU	0	0.000	0.015	46.279	0.001	0.001	0.000	0.000	0.000	0.000
899	A	899	ARG	1	0.921	0.958	46.839	-0.051	-0.051	0.000	0.000	0.000	0.000
900	A	900	GLY	0	0.064	0.032	47.837	-0.003	-0.003	0.000	0.000	0.000	0.000
901	A	901	TYR	0	0.011	0.007	48.501	0.000	0.000	0.000	0.000	0.000	0.000
902	A	902	GLY	0	-0.016	-0.021	45.502	0.001	0.001	0.000	0.000	0.000	0.000
903	A	903	GLN	0	-0.044	-0.029	41.938	0.003	0.003	0.000	0.000	0.000	0.000
904	A	904	LYS	1	0.890	0.954	41.986	-0.071	-0.071	0.000	0.000	0.000	0.000
905	A	905	ASP	-1	-0.816	-0.899	40.265	0.093	0.093	0.000	0.000	0.000	0.000
906	A	906	PRO	0	0.071	0.018	42.075	0.000	0.000	0.000	0.000	0.000	0.000
907	A	907	PHE	0	0.009	0.009	38.734	0.000	0.000	0.000	0.000	0.000	0.000
908	A	908	GLN	0	-0.039	-0.027	41.582	-0.003	-0.003	0.000	0.000	0.000	0.000
909	A	909	GLU	-1	-0.773	-0.871	43.627	0.060	0.060	0.000	0.000	0.000	0.000
910	A	910	TYR	0	0.038	0.023	44.419	-0.002	-0.002	0.000	0.000	0.000	0.000
911	A	911	LYS	1	0.930	0.971	40.202	-0.100	-0.100	0.000	0.000	0.000	0.000
912	A	912	ILE	0	-0.030	-0.002	45.648	-0.001	-0.001	0.000	0.000	0.000	0.000
913	A	913	GLU	-1	-0.765	-0.857	48.445	0.056	0.056	0.000	0.000	0.000	0.000
914	A	914	ALA	0	0.032	0.016	47.908	-0.002	-0.002	0.000	0.000	0.000	0.000
915	A	915	THR	0	-0.064	-0.043	47.587	0.000	0.000	0.000	0.000	0.000	0.000
916	A	916	ARG	1	0.799	0.880	50.121	-0.055	-0.055	0.000	0.000	0.000	0.000
917	A	917	LEU	0	0.048	0.012	53.578	-0.001	-0.001	0.000	0.000	0.000	0.000
918	A	918	PHE	0	-0.002	0.007	51.723	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	919	ASN	0	0.009	-0.010	52.065	-0.001	-0.001	0.000	0.000	0.000	0.000
920	A	920	GLU	-1	-0.866	-0.916	55.386	0.048	0.048	0.000	0.000	0.000	0.000
921	A	921	MET	0	-0.014	0.009	54.196	-0.002	-0.002	0.000	0.000	0.000	0.000
922	A	922	VAL	0	-0.028	-0.018	54.787	-0.001	-0.001	0.000	0.000	0.000	0.000
923	A	923	ALA	0	0.001	0.004	58.063	-0.001	-0.001	0.000	0.000	0.000	0.000
924	A	924	PHE	0	0.003	-0.002	61.083	-0.001	-0.001	0.000	0.000	0.000	0.000
925	A	925	ILE	0	-0.009	-0.015	58.073	-0.001	-0.001	0.000	0.000	0.000	0.000
926	A	926	LYS	1	0.774	0.858	57.994	-0.053	-0.053	0.000	0.000	0.000	0.000
927	A	927	SER	0	0.068	0.040	63.449	-0.002	-0.002	0.000	0.000	0.000	0.000
928	A	928	GLU	-1	-0.728	-0.854	65.979	0.037	0.037	0.000	0.000	0.000	0.000
929	A	929	VAL	0	-0.012	-0.007	63.823	-0.001	-0.001	0.000	0.000	0.000	0.000
930	A	930	ALA	0	0.016	0.017	66.997	-0.001	-0.001	0.000	0.000	0.000	0.000
931	A	931	LYN	0	-0.046	-0.022	69.409	-0.001	-0.001	0.000	0.000	0.000	0.000
932	A	932	PHE	0	-0.048	-0.031	69.234	-0.001	-0.001	0.000	0.000	0.000	0.000
933	A	933	LEU	0	-0.016	0.001	68.013	-0.001	-0.001	0.000	0.000	0.000	0.000
934	A	934	PHE	0	0.003	0.014	72.344	-0.001	-0.001	0.000	0.000	0.000	0.000
935	A	935	ARG	1	0.778	0.887	75.204	-0.031	-0.031	0.000	0.000	0.000	0.000
936	A	936	LEU	0	0.007	0.034	73.109	-0.001	-0.001	0.000	0.000	0.000	0.000
937	A	937	LYS	1	0.825	0.902	76.474	-0.026	-0.026	0.000	0.000	0.000	0.000
938	A	938	VAL	0	0.016	-0.008	76.474	0.001	0.001	0.000	0.000	0.000	0.000
939	A	939	GLU	-1	-0.907	-0.956	79.056	0.025	0.025	0.000	0.000	0.000	0.000

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