FMO DATABASE

FMODB ID: 893MY

Calculation Name: 4P71-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4P71

Chain ID: A

ChEMBL ID:

UniProt ID: Q9I0A3

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	791
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16363245.288475
FMO2-HF: Nuclear repulsion	16060686.540551
FMO2-HF: Total energy	-302558.747924
FMO2-MP2: Total energy	-303447.008857

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.
-31.404	-19.702	16.767	-7.991	-20.479	-0.064

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 : -0.008 / q_NPA : 0.021

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	PHE	0	-0.006	0.003	2.702	-1.832	2.276	0.390	-1.875	-2.624	-0.001
4	A	4	SER	0	-0.011	-0.012	4.501	0.374	0.448	-0.001	-0.018	-0.054	0.000
5	A	5	GLU	-1	-0.760	-0.869	7.762	-1.481	-1.481	0.000	0.000	0.000	0.000
6	A	6	LYS	1	0.872	0.924	9.931	0.792	0.792	0.000	0.000	0.000	0.000
7	A	7	TRP	0	-0.011	0.002	5.748	0.035	0.035	0.000	0.000	0.000	0.000
8	A	8	LEU	0	0.068	0.054	6.575	0.195	0.195	0.000	0.000	0.000	0.000
9	A	9	ARG	1	0.756	0.847	8.913	1.204	1.204	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.107	-0.063	11.639	0.168	0.168	0.000	0.000	0.000	0.000
11	A	11	TRP	0	0.008	0.018	10.088	0.142	0.142	0.000	0.000	0.000	0.000
12	A	12	ALA	0	0.054	0.016	11.780	0.123	0.123	0.000	0.000	0.000	0.000
13	A	13	ASN	0	0.037	0.025	12.869	-0.196	-0.196	0.000	0.000	0.000	0.000
14	A	14	PRO	0	0.025	0.014	13.867	0.091	0.091	0.000	0.000	0.000	0.000
15	A	15	GLN	0	-0.097	-0.043	16.725	0.048	0.048	0.000	0.000	0.000	0.000
16	A	16	VAL	0	0.013	0.027	16.935	0.049	0.049	0.000	0.000	0.000	0.000
17	A	17	SER	0	-0.023	-0.051	18.168	-0.060	-0.060	0.000	0.000	0.000	0.000
18	A	18	HIS	1	0.840	0.884	12.476	1.342	1.342	0.000	0.000	0.000	0.000
19	A	19	ASP	-1	-0.870	-0.954	14.795	-0.990	-0.990	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.866	-0.902	16.773	-0.670	-0.670	0.000	0.000	0.000	0.000
21	A	21	LEU	0	-0.034	-0.004	11.176	0.011	0.011	0.000	0.000	0.000	0.000
22	A	22	VAL	0	0.015	-0.006	11.090	-0.124	-0.124	0.000	0.000	0.000	0.000
23	A	23	ALA	0	-0.022	0.006	12.531	-0.045	-0.045	0.000	0.000	0.000	0.000
24	A	24	ARG	1	0.885	0.942	14.632	0.719	0.719	0.000	0.000	0.000	0.000
25	A	25	LEU	0	0.027	0.015	8.354	0.097	0.097	0.000	0.000	0.000	0.000
26	A	26	SER	0	0.114	0.047	10.920	-0.058	-0.058	0.000	0.000	0.000	0.000
27	A	27	MET	0	-0.117	-0.044	11.914	0.202	0.202	0.000	0.000	0.000	0.000
28	A	28	VAL	0	-0.048	-0.016	11.456	0.134	0.134	0.000	0.000	0.000	0.000
29	A	29	GLY	0	0.008	0.007	11.511	0.112	0.112	0.000	0.000	0.000	0.000
30	A	30	LEU	0	-0.062	-0.028	6.394	0.039	0.039	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.941	-0.978	8.076	-1.177	-1.177	0.000	0.000	0.000	0.000
32	A	32	VAL	0	-0.023	-0.006	6.828	-0.680	-0.680	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.892	-0.943	6.075	-1.972	-1.972	0.000	0.000	0.000	0.000
34	A	34	ALA	0	-0.066	-0.048	7.941	0.530	0.530	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.855	-0.910	8.828	-1.971	-1.971	0.000	0.000	0.000	0.000
36	A	36	LEU	0	0.002	0.018	11.492	0.325	0.325	0.000	0.000	0.000	0.000
37	A	37	PRO	0	-0.005	-0.010	13.067	-0.097	-0.097	0.000	0.000	0.000	0.000
38	A	38	VAL	0	-0.008	0.009	11.688	0.022	0.022	0.000	0.000	0.000	0.000
39	A	39	ALA	0	-0.013	-0.006	14.334	0.094	0.094	0.000	0.000	0.000	0.000
40	A	40	GLY	0	0.063	0.050	17.890	-0.034	-0.034	0.000	0.000	0.000	0.000
41	A	41	ALA	0	-0.050	-0.018	21.447	0.004	0.004	0.000	0.000	0.000	0.000
42	A	42	PHE	0	0.054	0.011	22.264	0.026	0.026	0.000	0.000	0.000	0.000
43	A	43	SER	0	-0.035	-0.020	26.351	-0.012	-0.012	0.000	0.000	0.000	0.000
44	A	44	GLY	0	0.035	-0.002	29.078	0.013	0.013	0.000	0.000	0.000	0.000
45	A	45	VAL	0	-0.003	0.003	27.003	0.017	0.017	0.000	0.000	0.000	0.000
46	A	46	VAL	0	0.002	0.008	27.993	-0.017	-0.017	0.000	0.000	0.000	0.000
47	A	47	VAL	0	-0.016	0.008	26.135	0.011	0.011	0.000	0.000	0.000	0.000
48	A	48	GLY	0	0.004	0.001	28.813	0.003	0.003	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.906	-0.966	31.254	-0.057	-0.057	0.000	0.000	0.000	0.000
50	A	50	VAL	0	-0.051	-0.016	33.513	0.000	0.000	0.000	0.000	0.000	0.000
51	A	51	LEU	0	-0.003	0.004	35.896	0.005	0.005	0.000	0.000	0.000	0.000
52	A	52	SER	0	-0.007	-0.016	39.196	0.005	0.005	0.000	0.000	0.000	0.000
53	A	53	THR	0	-0.028	-0.020	38.129	-0.002	-0.002	0.000	0.000	0.000	0.000
54	A	54	GLU	-1	-0.882	-0.931	41.358	-0.011	-0.011	0.000	0.000	0.000	0.000
55	A	55	GLN	0	-0.003	-0.009	43.677	-0.003	-0.003	0.000	0.000	0.000	0.000
56	A	56	HIS	0	-0.057	-0.028	44.376	0.001	0.001	0.000	0.000	0.000	0.000
57	A	57	PRO	0	0.004	0.000	46.242	0.003	0.003	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.921	-0.956	48.969	-0.018	-0.018	0.000	0.000	0.000	0.000
59	A	59	ALA	0	-0.078	-0.067	45.195	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	60	ASP	-1	-0.815	-0.896	45.303	0.002	0.002	0.000	0.000	0.000	0.000
61	A	61	LYS	1	0.891	0.947	40.806	-0.004	-0.004	0.000	0.000	0.000	0.000
62	A	62	LEU	0	-0.032	-0.009	40.171	-0.003	-0.003	0.000	0.000	0.000	0.000
63	A	63	ARG	1	0.913	0.969	39.351	0.011	0.011	0.000	0.000	0.000	0.000
64	A	64	VAL	0	-0.010	-0.014	41.020	-0.006	-0.006	0.000	0.000	0.000	0.000
65	A	65	CYS	0	-0.018	0.000	38.370	0.005	0.005	0.000	0.000	0.000	0.000
66	A	66	GLN	0	0.028	0.028	40.412	-0.006	-0.006	0.000	0.000	0.000	0.000
67	A	67	VAL	0	0.040	0.009	34.863	0.003	0.003	0.000	0.000	0.000	0.000
68	A	68	SER	0	0.013	0.022	36.916	-0.005	-0.005	0.000	0.000	0.000	0.000
69	A	69	ASN	0	0.061	0.003	34.307	0.002	0.002	0.000	0.000	0.000	0.000
70	A	70	GLY	0	0.025	0.014	34.855	-0.009	-0.009	0.000	0.000	0.000	0.000
71	A	71	SER	0	-0.080	-0.032	36.326	0.000	0.000	0.000	0.000	0.000	0.000
72	A	72	GLU	-1	-0.939	-0.974	39.043	-0.080	-0.080	0.000	0.000	0.000	0.000
73	A	73	THR	0	-0.047	-0.021	39.353	0.000	0.000	0.000	0.000	0.000	0.000
74	A	74	PHE	0	0.013	0.003	38.733	0.001	0.001	0.000	0.000	0.000	0.000
75	A	75	GLN	0	-0.025	-0.010	40.563	0.004	0.004	0.000	0.000	0.000	0.000
76	A	76	VAL	0	0.002	-0.007	36.566	-0.005	-0.005	0.000	0.000	0.000	0.000
77	A	77	VAL	0	-0.014	-0.012	39.875	0.006	0.006	0.000	0.000	0.000	0.000
78	A	78	CYS	0	-0.051	-0.023	34.528	-0.005	-0.005	0.000	0.000	0.000	0.000
79	A	79	GLY	0	0.027	-0.002	36.917	0.006	0.006	0.000	0.000	0.000	0.000
80	A	80	ALA	0	0.010	0.022	32.226	0.006	0.006	0.000	0.000	0.000	0.000
81	A	81	PRO	0	0.024	0.005	32.160	0.000	0.000	0.000	0.000	0.000	0.000
82	A	82	ASN	0	-0.023	-0.019	28.440	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	83	VAL	0	-0.010	0.011	32.572	-0.003	-0.003	0.000	0.000	0.000	0.000
84	A	84	ARG	1	0.791	0.839	29.656	-0.006	-0.006	0.000	0.000	0.000	0.000
85	A	85	ALA	0	-0.012	-0.017	35.133	-0.006	-0.006	0.000	0.000	0.000	0.000
86	A	86	GLY	0	0.028	0.011	34.971	0.006	0.006	0.000	0.000	0.000	0.000
87	A	87	LEU	0	-0.048	-0.010	29.475	-0.001	-0.001	0.000	0.000	0.000	0.000
88	A	88	LYS	1	0.849	0.944	28.053	0.069	0.069	0.000	0.000	0.000	0.000
89	A	89	ILE	0	0.009	-0.005	27.472	0.004	0.004	0.000	0.000	0.000	0.000
90	A	90	PRO	0	0.012	0.003	25.037	-0.009	-0.009	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.023	-0.003	27.860	0.010	0.010	0.000	0.000	0.000	0.000
92	A	92	ALA	0	0.046	0.018	30.724	-0.012	-0.012	0.000	0.000	0.000	0.000
93	A	93	MET	0	0.025	0.032	32.165	0.015	0.015	0.000	0.000	0.000	0.000
94	A	94	ILE	0	0.005	-0.007	35.413	-0.003	-0.003	0.000	0.000	0.000	0.000
95	A	95	GLY	0	-0.042	-0.020	37.364	-0.002	-0.002	0.000	0.000	0.000	0.000
96	A	96	ALA	0	-0.042	-0.013	31.844	-0.009	-0.009	0.000	0.000	0.000	0.000
97	A	97	GLU	-1	-0.820	-0.885	31.478	-0.163	-0.163	0.000	0.000	0.000	0.000
98	A	98	LEU	0	0.012	-0.015	28.394	-0.018	-0.018	0.000	0.000	0.000	0.000
99	A	99	PRO	0	-0.006	-0.004	24.963	0.000	0.000	0.000	0.000	0.000	0.000
100	A	100	ASP	-1	-0.912	-0.955	26.279	-0.216	-0.216	0.000	0.000	0.000	0.000
101	A	101	ASP	-1	-0.941	-0.961	28.999	-0.196	-0.196	0.000	0.000	0.000	0.000
102	A	102	PHE	0	-0.009	0.013	31.195	0.023	0.023	0.000	0.000	0.000	0.000
103	A	103	LYS	1	0.819	0.896	32.914	0.156	0.156	0.000	0.000	0.000	0.000
104	A	104	ILE	0	0.020	0.031	33.110	0.014	0.014	0.000	0.000	0.000	0.000
105	A	105	LYS	1	0.865	0.915	36.492	0.114	0.114	0.000	0.000	0.000	0.000
106	A	106	LYS	1	0.852	0.932	40.267	0.069	0.069	0.000	0.000	0.000	0.000
107	A	107	ALA	0	0.016	0.012	41.807	0.002	0.002	0.000	0.000	0.000	0.000
108	A	108	LYS	1	0.850	0.897	43.656	0.049	0.049	0.000	0.000	0.000	0.000
109	A	109	LEU	0	0.051	0.031	40.506	0.003	0.003	0.000	0.000	0.000	0.000
110	A	110	ARG	1	0.947	0.974	45.188	0.029	0.029	0.000	0.000	0.000	0.000
111	A	111	GLY	0	0.042	0.024	48.256	0.003	0.003	0.000	0.000	0.000	0.000
112	A	112	VAL	0	0.011	0.020	45.696	0.000	0.000	0.000	0.000	0.000	0.000
113	A	113	GLU	-1	-0.854	-0.908	46.050	-0.058	-0.058	0.000	0.000	0.000	0.000
114	A	114	SER	0	0.037	0.034	39.760	0.004	0.004	0.000	0.000	0.000	0.000
115	A	115	PHE	0	-0.035	-0.052	41.060	-0.003	-0.003	0.000	0.000	0.000	0.000
116	A	116	GLY	0	0.059	0.030	36.966	-0.005	-0.005	0.000	0.000	0.000	0.000
117	A	117	MET	0	-0.043	-0.019	30.763	0.007	0.007	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.015	0.001	31.720	-0.008	-0.008	0.000	0.000	0.000	0.000
119	A	119	CYS	0	-0.024	-0.007	27.263	0.000	0.000	0.000	0.000	0.000	0.000
120	A	120	SER	0	0.067	0.034	26.151	0.000	0.000	0.000	0.000	0.000	0.000
121	A	121	ALA	0	0.023	-0.002	20.574	-0.020	-0.020	0.000	0.000	0.000	0.000
122	A	122	LYS	1	0.868	0.946	21.173	0.120	0.120	0.000	0.000	0.000	0.000
123	A	123	GLU	-1	-0.889	-0.946	23.868	-0.116	-0.116	0.000	0.000	0.000	0.000
124	A	124	LEU	0	-0.019	-0.016	23.427	-0.012	-0.012	0.000	0.000	0.000	0.000
125	A	125	GLN	0	-0.079	-0.045	21.347	-0.069	-0.069	0.000	0.000	0.000	0.000
126	A	126	ILE	0	-0.028	0.001	17.782	-0.046	-0.046	0.000	0.000	0.000	0.000
127	A	127	SER	0	0.050	0.006	17.131	-0.019	-0.019	0.000	0.000	0.000	0.000
128	A	128	GLU	-1	-0.828	-0.924	18.041	-0.136	-0.136	0.000	0.000	0.000	0.000
129	A	129	GLU	-1	-0.889	-0.942	20.868	0.040	0.040	0.000	0.000	0.000	0.000
130	A	130	ASN	0	0.016	0.000	22.662	-0.037	-0.037	0.000	0.000	0.000	0.000
131	A	131	ALA	0	-0.031	0.004	26.085	0.000	0.000	0.000	0.000	0.000	0.000
132	A	132	GLY	0	-0.016	-0.019	27.312	0.003	0.003	0.000	0.000	0.000	0.000
133	A	133	LEU	0	-0.041	-0.029	27.097	-0.009	-0.009	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.017	0.000	20.917	0.013	0.013	0.000	0.000	0.000	0.000
135	A	135	GLU	-1	-0.763	-0.848	24.916	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	136	LEU	0	-0.024	-0.005	22.934	-0.003	-0.003	0.000	0.000	0.000	0.000
137	A	137	PRO	0	0.010	0.002	21.842	0.015	0.015	0.000	0.000	0.000	0.000
138	A	138	ALA	0	0.062	0.027	24.642	-0.008	-0.008	0.000	0.000	0.000	0.000
139	A	139	ASP	-1	-0.930	-0.963	24.510	-0.083	-0.083	0.000	0.000	0.000	0.000
140	A	140	ALA	0	0.003	0.022	25.473	-0.015	-0.015	0.000	0.000	0.000	0.000
141	A	141	PRO	0	-0.007	-0.011	25.572	0.012	0.012	0.000	0.000	0.000	0.000
142	A	142	VAL	0	-0.006	-0.011	28.636	-0.010	-0.010	0.000	0.000	0.000	0.000
143	A	143	GLY	0	0.022	0.013	31.229	0.001	0.001	0.000	0.000	0.000	0.000
144	A	144	GLN	0	-0.064	-0.029	24.746	-0.017	-0.017	0.000	0.000	0.000	0.000
145	A	145	ASP	-1	-0.769	-0.868	25.142	-0.285	-0.285	0.000	0.000	0.000	0.000
146	A	146	VAL	0	0.045	0.013	23.045	-0.011	-0.011	0.000	0.000	0.000	0.000
147	A	147	ARG	1	0.837	0.915	19.853	0.419	0.419	0.000	0.000	0.000	0.000
148	A	148	THR	0	-0.069	-0.055	20.563	-0.045	-0.045	0.000	0.000	0.000	0.000
149	A	149	TYR	0	-0.001	-0.008	20.931	-0.016	-0.016	0.000	0.000	0.000	0.000
150	A	150	LEU	0	-0.025	-0.013	18.487	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	151	GLU	-1	-0.897	-0.950	15.844	-0.579	-0.579	0.000	0.000	0.000	0.000
152	A	152	LEU	0	0.016	0.003	15.742	-0.078	-0.078	0.000	0.000	0.000	0.000
153	A	153	ALA	0	-0.066	-0.015	17.530	-0.034	-0.034	0.000	0.000	0.000	0.000
154	A	154	ASP	-1	-0.748	-0.860	11.715	-1.219	-1.219	0.000	0.000	0.000	0.000
155	A	155	TYR	0	-0.013	-0.008	12.393	0.146	0.146	0.000	0.000	0.000	0.000
156	A	156	THR	0	-0.017	-0.008	7.870	-0.202	-0.202	0.000	0.000	0.000	0.000
157	A	157	ILE	0	-0.021	-0.020	6.852	0.383	0.383	0.000	0.000	0.000	0.000
158	A	158	GLU	-1	-0.838	-0.904	3.382	-5.377	-4.835	0.009	-0.205	-0.347	0.000
159	A	159	VAL	0	0.002	-0.008	2.808	1.161	2.569	0.115	-0.461	-1.062	-0.001
160	A	160	GLY	0	0.093	0.059	2.025	-8.860	-8.332	4.640	-2.788	-2.380	-0.037
161	A	161	LEU	0	-0.087	-0.043	2.695	-0.063	0.843	0.525	-0.266	-1.165	-0.001
162	A	162	THR	0	0.053	0.024	5.762	0.579	0.579	0.000	0.000	0.000	0.000
163	A	163	PRO	0	-0.036	-0.041	8.673	0.282	0.282	0.000	0.000	0.000	0.000
164	A	164	ASN	0	-0.009	-0.008	10.566	0.130	0.130	0.000	0.000	0.000	0.000
165	A	165	ARG	1	0.753	0.839	8.105	0.117	0.117	0.000	0.000	0.000	0.000
166	A	166	GLY	0	0.052	0.017	6.882	0.181	0.181	0.000	0.000	0.000	0.000
167	A	167	ASP	-1	-0.770	-0.848	7.376	0.862	0.862	0.000	0.000	0.000	0.000
168	A	168	CYS	0	-0.054	-0.028	4.391	-0.376	-0.203	-0.001	-0.028	-0.144	0.000
169	A	169	LEU	0	-0.009	0.007	2.435	-5.488	-3.381	2.770	-1.381	-3.496	-0.011
170	A	170	SER	0	0.039	0.006	2.483	2.262	1.868	3.111	0.081	-2.798	-0.007
171	A	171	LEU	0	-0.001	0.004	2.870	-1.576	-2.044	0.594	0.891	-1.018	-0.005
172	A	172	ALA	0	-0.015	-0.008	4.182	0.047	0.114	0.000	-0.008	-0.058	0.000
173	A	173	GLY	0	-0.009	-0.004	5.838	-0.004	-0.004	0.000	0.000	0.000	0.000
174	A	174	LEU	0	0.004	-0.001	2.362	-0.653	-0.274	1.764	-0.411	-1.732	0.000
175	A	175	ALA	0	-0.018	-0.015	6.180	0.172	0.172	0.000	0.000	0.000	0.000
176	A	176	ARG	1	0.891	0.936	8.804	0.113	0.113	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.719	-0.824	8.845	-0.555	-0.555	0.000	0.000	0.000	0.000
178	A	178	VAL	0	-0.011	0.003	9.816	0.103	0.103	0.000	0.000	0.000	0.000
179	A	179	SER	0	0.001	-0.009	12.279	0.098	0.098	0.000	0.000	0.000	0.000
180	A	180	ALA	0	-0.018	-0.004	14.153	0.082	0.082	0.000	0.000	0.000	0.000
181	A	181	ILE	0	-0.069	-0.038	11.722	0.051	0.051	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.032	-0.052	14.241	0.009	0.009	0.000	0.000	0.000	0.000
183	A	183	ASP	-1	-0.900	-0.911	18.010	-0.285	-0.285	0.000	0.000	0.000	0.000
184	A	184	VAL	0	-0.027	-0.003	16.238	0.030	0.030	0.000	0.000	0.000	0.000
185	A	185	PRO	0	-0.048	-0.036	17.458	0.001	0.001	0.000	0.000	0.000	0.000
186	A	186	LEU	0	0.024	0.018	11.600	-0.047	-0.047	0.000	0.000	0.000	0.000
187	A	187	ALA	0	-0.038	-0.022	14.983	0.081	0.081	0.000	0.000	0.000	0.000
188	A	188	PRO	0	-0.020	-0.007	12.797	-0.037	-0.037	0.000	0.000	0.000	0.000
189	A	189	VAL	0	-0.010	0.005	11.857	0.036	0.036	0.000	0.000	0.000	0.000
190	A	190	ALA	0	0.022	-0.001	14.340	0.055	0.055	0.000	0.000	0.000	0.000
191	A	191	VAL	0	-0.066	-0.036	14.367	0.010	0.010	0.000	0.000	0.000	0.000
192	A	192	ASP	-1	-0.906	-0.938	17.586	0.044	0.044	0.000	0.000	0.000	0.000
193	A	193	ALA	0	0.003	-0.009	20.701	0.023	0.023	0.000	0.000	0.000	0.000
194	A	194	VAL	0	-0.037	-0.012	21.138	-0.027	-0.027	0.000	0.000	0.000	0.000
195	A	195	ALA	0	-0.015	-0.007	23.920	0.015	0.015	0.000	0.000	0.000	0.000
196	A	196	ALA	0	-0.014	-0.003	27.661	0.003	0.003	0.000	0.000	0.000	0.000
197	A	197	GLN	0	-0.014	-0.015	28.628	-0.013	-0.013	0.000	0.000	0.000	0.000
198	A	198	HIS	0	-0.034	-0.019	29.069	-0.016	-0.016	0.000	0.000	0.000	0.000
199	A	199	ASP	-1	-0.875	-0.952	31.758	0.148	0.148	0.000	0.000	0.000	0.000
200	A	200	GLU	-1	-0.850	-0.904	31.649	0.218	0.218	0.000	0.000	0.000	0.000
201	A	201	THR	0	-0.018	-0.012	29.385	0.012	0.012	0.000	0.000	0.000	0.000
202	A	202	ARG	1	0.882	0.926	28.528	-0.253	-0.253	0.000	0.000	0.000	0.000
203	A	203	PRO	0	-0.018	0.001	29.351	0.010	0.010	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.056	0.024	25.856	0.012	0.012	0.000	0.000	0.000	0.000
205	A	205	GLU	-1	-0.888	-0.933	28.903	0.262	0.262	0.000	0.000	0.000	0.000
206	A	206	LEU	0	-0.002	0.000	24.870	0.022	0.022	0.000	0.000	0.000	0.000
207	A	207	ALA	0	0.012	0.002	28.758	-0.021	-0.021	0.000	0.000	0.000	0.000
208	A	208	ALA	0	-0.009	-0.005	27.410	-0.015	-0.015	0.000	0.000	0.000	0.000
209	A	209	PRO	0	-0.022	-0.012	26.625	0.035	0.035	0.000	0.000	0.000	0.000
210	A	210	ALA	0	-0.036	-0.016	26.244	0.013	0.013	0.000	0.000	0.000	0.000
211	A	211	ALA	0	0.049	0.026	23.348	0.021	0.021	0.000	0.000	0.000	0.000
212	A	212	CYS	0	-0.045	-0.005	21.039	0.067	0.067	0.000	0.000	0.000	0.000
213	A	213	PRO	0	0.019	0.023	21.753	-0.044	-0.044	0.000	0.000	0.000	0.000
214	A	214	ARG	1	0.875	0.923	19.732	-0.471	-0.471	0.000	0.000	0.000	0.000
215	A	215	TYR	0	-0.033	-0.051	20.807	0.044	0.044	0.000	0.000	0.000	0.000
216	A	216	LEU	0	-0.053	-0.022	19.507	-0.059	-0.059	0.000	0.000	0.000	0.000
217	A	217	GLY	0	0.019	0.008	20.942	0.047	0.047	0.000	0.000	0.000	0.000
218	A	218	ARG	1	0.763	0.853	21.689	-0.292	-0.292	0.000	0.000	0.000	0.000
219	A	219	VAL	0	0.017	0.035	23.775	0.023	0.023	0.000	0.000	0.000	0.000
220	A	220	ILE	0	-0.037	-0.021	21.537	-0.017	-0.017	0.000	0.000	0.000	0.000
221	A	221	ARG	1	0.797	0.879	25.699	-0.166	-0.166	0.000	0.000	0.000	0.000
222	A	222	ASN	0	-0.079	-0.045	28.619	-0.008	-0.008	0.000	0.000	0.000	0.000
223	A	223	VAL	0	-0.016	0.000	24.084	-0.011	-0.011	0.000	0.000	0.000	0.000
224	A	224	ASP	-1	-0.867	-0.925	26.611	0.135	0.135	0.000	0.000	0.000	0.000
225	A	225	LEU	0	0.018	-0.020	23.201	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	226	SER	0	-0.100	-0.052	24.645	0.001	0.001	0.000	0.000	0.000	0.000
227	A	227	ARG	1	0.854	0.944	24.079	-0.133	-0.133	0.000	0.000	0.000	0.000
228	A	228	PRO	0	0.002	0.005	22.154	0.020	0.020	0.000	0.000	0.000	0.000
229	A	229	THR	0	0.014	-0.010	15.434	-0.012	-0.012	0.000	0.000	0.000	0.000
230	A	230	PRO	0	-0.031	0.001	16.553	-0.035	-0.035	0.000	0.000	0.000	0.000
231	A	231	LEU	0	0.061	0.010	16.621	0.006	0.006	0.000	0.000	0.000	0.000
232	A	232	TRP	0	0.034	0.013	12.192	-0.034	-0.034	0.000	0.000	0.000	0.000
233	A	233	MET	0	-0.024	0.007	11.850	-0.072	-0.072	0.000	0.000	0.000	0.000
234	A	234	VAL	0	0.032	0.018	11.673	0.015	0.015	0.000	0.000	0.000	0.000
235	A	235	GLU	-1	-0.779	-0.850	12.499	-0.399	-0.399	0.000	0.000	0.000	0.000
236	A	236	ARG	1	0.888	0.946	8.700	0.335	0.335	0.000	0.000	0.000	0.000
237	A	237	LEU	0	0.008	0.016	7.641	-0.145	-0.145	0.000	0.000	0.000	0.000
238	A	238	ARG	1	0.823	0.892	8.423	0.526	0.526	0.000	0.000	0.000	0.000
239	A	239	ARG	1	0.690	0.813	8.558	0.638	0.638	0.000	0.000	0.000	0.000
240	A	240	SER	0	-0.009	-0.035	3.322	-1.004	-0.806	0.004	-0.049	-0.154	0.000
241	A	241	ASP	-1	-0.887	-0.918	5.698	0.329	0.329	0.000	0.000	0.000	0.000
242	A	242	ILE	0	-0.044	-0.021	6.078	0.317	0.317	0.000	0.000	0.000	0.000
243	A	243	ARG	1	0.858	0.911	9.950	-0.404	-0.404	0.000	0.000	0.000	0.000
244	A	244	SER	0	-0.072	-0.050	13.642	0.071	0.071	0.000	0.000	0.000	0.000
245	A	245	ILE	0	-0.052	-0.031	15.260	-0.029	-0.029	0.000	0.000	0.000	0.000
246	A	246	ASP	-1	-0.798	-0.914	17.247	0.416	0.416	0.000	0.000	0.000	0.000
247	A	247	PRO	0	0.015	0.018	17.147	0.055	0.055	0.000	0.000	0.000	0.000
248	A	248	VAL	0	0.008	-0.004	16.506	0.027	0.027	0.000	0.000	0.000	0.000
249	A	249	VAL	0	0.024	0.016	14.349	0.077	0.077	0.000	0.000	0.000	0.000
250	A	250	ASP	-1	-0.718	-0.833	12.806	0.592	0.592	0.000	0.000	0.000	0.000
251	A	251	VAL	0	-0.014	-0.017	11.723	0.039	0.039	0.000	0.000	0.000	0.000
252	A	252	THR	0	-0.025	-0.004	11.661	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	253	ASN	0	0.003	0.005	9.163	0.402	0.402	0.000	0.000	0.000	0.000
254	A	254	TYR	0	-0.035	-0.048	7.472	0.183	0.183	0.000	0.000	0.000	0.000
255	A	255	VAL	0	0.006	-0.015	7.293	-0.099	-0.099	0.000	0.000	0.000	0.000
256	A	256	MET	0	-0.030	0.020	6.391	-0.027	-0.027	0.000	0.000	0.000	0.000
257	A	257	ILE	0	0.003	0.008	2.245	-0.245	0.510	1.075	-0.282	-1.547	-0.001
258	A	258	GLU	-1	-0.761	-0.827	3.194	-2.366	-1.453	0.079	-0.493	-0.499	-0.005
259	A	259	LEU	0	-0.061	-0.063	5.990	-0.239	-0.239	0.000	0.000	0.000	0.000
260	A	260	GLY	0	0.055	0.028	6.047	-0.059	-0.059	0.000	0.000	0.000	0.000
261	A	261	GLN	0	-0.102	-0.060	6.909	0.066	0.066	0.000	0.000	0.000	0.000
262	A	262	PRO	0	-0.005	-0.004	9.621	-0.080	-0.080	0.000	0.000	0.000	0.000
263	A	263	MET	0	-0.060	-0.021	10.878	-0.274	-0.274	0.000	0.000	0.000	0.000
264	A	264	HIS	0	0.023	0.010	13.709	0.109	0.109	0.000	0.000	0.000	0.000
265	A	265	ALA	0	0.016	0.007	16.672	-0.069	-0.069	0.000	0.000	0.000	0.000
266	A	266	PHE	0	-0.020	-0.003	19.618	0.022	0.022	0.000	0.000	0.000	0.000
267	A	267	ASP	-1	-0.729	-0.837	23.072	0.266	0.266	0.000	0.000	0.000	0.000
268	A	268	LEU	0	-0.067	-0.048	26.095	0.000	0.000	0.000	0.000	0.000	0.000
269	A	269	ALA	0	-0.046	-0.023	28.155	-0.007	-0.007	0.000	0.000	0.000	0.000
270	A	270	GLU	-1	-0.859	-0.924	27.943	0.272	0.272	0.000	0.000	0.000	0.000
271	A	271	ILE	0	-0.094	-0.025	25.533	0.009	0.009	0.000	0.000	0.000	0.000
272	A	272	ASN	0	-0.064	-0.043	29.945	-0.040	-0.040	0.000	0.000	0.000	0.000
273	A	273	GLY	0	-0.017	-0.025	33.370	0.005	0.005	0.000	0.000	0.000	0.000
274	A	274	GLY	0	-0.002	-0.010	30.420	-0.003	-0.003	0.000	0.000	0.000	0.000
275	A	275	VAL	0	0.031	0.026	25.029	-0.005	-0.005	0.000	0.000	0.000	0.000
276	A	276	ARG	1	0.812	0.896	28.354	-0.305	-0.305	0.000	0.000	0.000	0.000
277	A	277	VAL	0	0.031	0.016	24.043	0.019	0.019	0.000	0.000	0.000	0.000
278	A	278	ARG	1	0.789	0.859	26.792	-0.380	-0.380	0.000	0.000	0.000	0.000
279	A	279	MET	0	0.001	0.011	25.812	0.043	0.043	0.000	0.000	0.000	0.000
280	A	280	ALA	0	0.013	0.006	28.000	-0.024	-0.024	0.000	0.000	0.000	0.000
281	A	281	GLU	-1	-0.941	-0.970	29.802	0.285	0.285	0.000	0.000	0.000	0.000
282	A	282	ASP	-1	-0.882	-0.961	32.445	0.333	0.333	0.000	0.000	0.000	0.000
283	A	283	GLY	0	-0.059	-0.024	32.855	-0.020	-0.020	0.000	0.000	0.000	0.000
284	A	284	GLU	-1	-0.790	-0.849	31.109	0.358	0.358	0.000	0.000	0.000	0.000
285	A	285	LYS	1	0.829	0.884	30.760	-0.286	-0.286	0.000	0.000	0.000	0.000
286	A	286	LEU	0	-0.036	-0.009	24.770	-0.008	-0.008	0.000	0.000	0.000	0.000
287	A	287	VAL	0	0.019	0.022	27.182	0.013	0.013	0.000	0.000	0.000	0.000
288	A	288	LEU	0	-0.003	-0.019	20.728	0.012	0.012	0.000	0.000	0.000	0.000
289	A	289	LEU	0	0.021	0.003	18.342	-0.037	-0.037	0.000	0.000	0.000	0.000
290	A	290	ASP	-1	-0.843	-0.917	20.003	0.622	0.622	0.000	0.000	0.000	0.000
291	A	291	GLY	0	0.020	0.018	22.091	-0.041	-0.041	0.000	0.000	0.000	0.000
292	A	292	GLN	0	-0.120	-0.070	20.320	-0.072	-0.072	0.000	0.000	0.000	0.000
293	A	293	GLU	-1	-0.849	-0.909	25.285	0.321	0.321	0.000	0.000	0.000	0.000
294	A	294	ILE	0	-0.001	0.005	23.469	-0.013	-0.013	0.000	0.000	0.000	0.000
295	A	295	THR	0	-0.059	-0.035	27.132	-0.029	-0.029	0.000	0.000	0.000	0.000
296	A	296	LEU	0	-0.013	-0.016	25.733	0.016	0.016	0.000	0.000	0.000	0.000
297	A	297	ARG	1	0.883	0.929	24.503	-0.527	-0.527	0.000	0.000	0.000	0.000
298	A	298	ALA	0	0.038	0.012	28.588	0.027	0.027	0.000	0.000	0.000	0.000
299	A	299	ASP	-1	-0.902	-0.939	25.649	0.491	0.491	0.000	0.000	0.000	0.000
300	A	300	THR	0	-0.011	0.025	23.176	0.059	0.059	0.000	0.000	0.000	0.000
301	A	301	LEU	0	0.039	0.015	21.883	-0.042	-0.042	0.000	0.000	0.000	0.000
302	A	302	VAL	0	-0.025	-0.012	23.180	0.061	0.061	0.000	0.000	0.000	0.000
303	A	303	ILE	0	-0.012	0.011	20.112	-0.031	-0.031	0.000	0.000	0.000	0.000
304	A	304	ALA	0	0.024	0.016	24.682	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	305	ASP	-1	-0.698	-0.820	28.161	0.317	0.317	0.000	0.000	0.000	0.000
306	A	306	HIS	1	0.757	0.863	30.558	-0.286	-0.286	0.000	0.000	0.000	0.000
307	A	307	GLN	0	-0.017	-0.001	33.668	-0.014	-0.014	0.000	0.000	0.000	0.000
308	A	308	ARG	1	0.873	0.931	30.647	-0.309	-0.309	0.000	0.000	0.000	0.000
309	A	309	ALA	0	0.043	0.027	27.746	0.010	0.010	0.000	0.000	0.000	0.000
310	A	310	LEU	0	-0.036	-0.024	25.447	-0.009	-0.009	0.000	0.000	0.000	0.000
311	A	311	ALA	0	0.022	0.011	21.155	0.018	0.018	0.000	0.000	0.000	0.000
312	A	312	ILE	0	0.032	0.026	20.948	-0.039	-0.039	0.000	0.000	0.000	0.000
313	A	313	ALA	0	0.002	-0.018	19.661	0.097	0.097	0.000	0.000	0.000	0.000
314	A	314	GLY	0	0.036	0.020	16.141	0.017	0.017	0.000	0.000	0.000	0.000
315	A	315	VAL	0	-0.044	-0.020	14.790	0.234	0.234	0.000	0.000	0.000	0.000
316	A	316	MET	0	-0.011	0.005	15.623	0.160	0.160	0.000	0.000	0.000	0.000
317	A	317	GLY	0	0.063	0.043	18.229	-0.078	-0.078	0.000	0.000	0.000	0.000
318	A	318	GLY	0	0.023	0.003	20.596	0.002	0.002	0.000	0.000	0.000	0.000
319	A	319	GLU	-1	-0.979	-0.992	23.825	0.362	0.362	0.000	0.000	0.000	0.000
320	A	320	HIS	0	-0.065	-0.041	25.894	-0.010	-0.010	0.000	0.000	0.000	0.000
321	A	321	SER	0	-0.037	-0.028	24.549	-0.007	-0.007	0.000	0.000	0.000	0.000
322	A	322	GLY	0	0.042	0.028	22.733	0.004	0.004	0.000	0.000	0.000	0.000
323	A	323	VAL	0	-0.015	-0.008	21.464	-0.039	-0.039	0.000	0.000	0.000	0.000
324	A	324	SER	0	0.025	0.012	23.794	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	325	ASP	-1	-0.911	-0.960	26.517	0.228	0.228	0.000	0.000	0.000	0.000
326	A	326	SER	0	-0.067	-0.046	28.807	-0.020	-0.020	0.000	0.000	0.000	0.000
327	A	327	THR	0	-0.051	-0.040	25.122	-0.005	-0.005	0.000	0.000	0.000	0.000
328	A	328	ARG	1	0.918	0.964	28.341	-0.187	-0.187	0.000	0.000	0.000	0.000
329	A	329	ASP	-1	-0.842	-0.915	27.740	0.199	0.199	0.000	0.000	0.000	0.000
330	A	330	LEU	0	0.024	0.017	21.204	0.019	0.019	0.000	0.000	0.000	0.000
331	A	331	PHE	0	0.005	-0.015	23.623	-0.033	-0.033	0.000	0.000	0.000	0.000
332	A	332	LEU	0	-0.016	-0.003	18.230	0.040	0.040	0.000	0.000	0.000	0.000
333	A	333	GLU	-1	-0.785	-0.877	18.188	0.695	0.695	0.000	0.000	0.000	0.000
334	A	334	ALA	0	0.016	0.000	15.875	0.089	0.089	0.000	0.000	0.000	0.000
335	A	335	ALA	0	-0.009	-0.002	16.311	-0.098	-0.098	0.000	0.000	0.000	0.000
336	A	336	PHE	0	0.019	0.010	16.128	0.090	0.090	0.000	0.000	0.000	0.000
337	A	337	PHE	0	0.033	-0.005	16.537	-0.109	-0.109	0.000	0.000	0.000	0.000
338	A	338	ASP	-1	-0.809	-0.915	17.553	0.686	0.686	0.000	0.000	0.000	0.000
339	A	339	THR	0	0.026	0.016	14.714	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	340	ILE	0	-0.053	-0.022	17.209	0.022	0.022	0.000	0.000	0.000	0.000
341	A	341	ALA	0	-0.040	-0.019	20.388	-0.011	-0.011	0.000	0.000	0.000	0.000
342	A	342	LEU	0	0.001	-0.003	16.216	-0.021	-0.021	0.000	0.000	0.000	0.000
343	A	343	ALA	0	-0.012	0.012	17.019	0.058	0.058	0.000	0.000	0.000	0.000
344	A	344	GLY	0	-0.034	-0.019	16.986	-0.107	-0.107	0.000	0.000	0.000	0.000
345	A	345	LYS	1	0.801	0.889	18.575	-0.669	-0.669	0.000	0.000	0.000	0.000
346	A	346	ALA	0	0.052	0.045	15.944	-0.065	-0.065	0.000	0.000	0.000	0.000
347	A	347	ARG	1	1.019	1.005	14.341	-0.926	-0.926	0.000	0.000	0.000	0.000
348	A	348	SER	0	-0.086	-0.037	18.306	-0.099	-0.099	0.000	0.000	0.000	0.000
349	A	349	TYR	0	-0.032	-0.036	21.060	-0.091	-0.091	0.000	0.000	0.000	0.000
350	A	350	GLY	0	-0.031	-0.006	19.687	-0.023	-0.023	0.000	0.000	0.000	0.000
351	A	351	LEU	0	-0.027	-0.012	17.195	0.012	0.012	0.000	0.000	0.000	0.000
352	A	352	HIS	0	-0.031	-0.028	9.181	-0.405	-0.405	0.000	0.000	0.000	0.000
353	A	353	THR	0	0.002	-0.014	11.663	0.040	0.040	0.000	0.000	0.000	0.000
354	A	354	ASP	-1	-0.757	-0.870	6.117	6.366	6.366	0.000	0.000	0.000	0.000
355	A	355	SER	0	-0.002	-0.006	8.627	0.574	0.574	0.000	0.000	0.000	0.000
356	A	356	SER	0	-0.010	0.001	11.214	-0.062	-0.062	0.000	0.000	0.000	0.000
357	A	357	HIS	0	0.000	0.002	5.792	-0.810	-0.810	0.000	0.000	0.000	0.000
358	A	358	ARG	1	0.823	0.876	2.888	-12.905	-12.499	1.693	-0.698	-1.401	0.005
359	A	359	PHE	0	-0.001	-0.003	9.117	-0.368	-0.368	0.000	0.000	0.000	0.000
360	A	360	GLU	-1	-0.880	-0.933	12.423	1.041	1.041	0.000	0.000	0.000	0.000
361	A	361	ARG	1	0.814	0.910	8.197	-1.903	-1.903	0.000	0.000	0.000	0.000
362	A	362	GLY	0	-0.006	0.014	10.950	-0.226	-0.226	0.000	0.000	0.000	0.000
363	A	363	VAL	0	-0.008	0.005	10.473	0.194	0.194	0.000	0.000	0.000	0.000
364	A	364	ASP	-1	-0.755	-0.879	12.093	0.306	0.306	0.000	0.000	0.000	0.000
365	A	365	SER	0	0.012	0.006	14.011	-0.014	-0.014	0.000	0.000	0.000	0.000
366	A	366	GLN	0	-0.082	-0.061	16.854	-0.066	-0.066	0.000	0.000	0.000	0.000
367	A	367	LEU	0	-0.026	0.007	10.277	-0.072	-0.072	0.000	0.000	0.000	0.000
368	A	368	ALA	0	0.041	0.016	15.006	-0.032	-0.032	0.000	0.000	0.000	0.000
369	A	369	ARG	1	0.908	0.932	16.353	-0.299	-0.299	0.000	0.000	0.000	0.000
370	A	370	LYS	1	0.922	0.975	13.533	-0.101	-0.101	0.000	0.000	0.000	0.000
371	A	371	ALA	0	0.033	0.010	12.619	-0.042	-0.042	0.000	0.000	0.000	0.000
372	A	372	MET	0	0.041	0.030	13.977	-0.025	-0.025	0.000	0.000	0.000	0.000
373	A	373	GLU	-1	-0.824	-0.893	17.258	0.199	0.199	0.000	0.000	0.000	0.000
374	A	374	ARG	1	0.820	0.882	11.807	-0.094	-0.094	0.000	0.000	0.000	0.000
375	A	375	ALA	0	0.039	0.003	14.539	-0.034	-0.034	0.000	0.000	0.000	0.000
376	A	376	THR	0	-0.004	-0.011	15.698	-0.029	-0.029	0.000	0.000	0.000	0.000
377	A	377	ARG	1	0.863	0.936	18.040	-0.128	-0.128	0.000	0.000	0.000	0.000
378	A	378	LEU	0	0.016	0.016	13.116	-0.025	-0.025	0.000	0.000	0.000	0.000
379	A	379	ILE	0	0.052	0.022	17.493	-0.017	-0.017	0.000	0.000	0.000	0.000
380	A	380	LEU	0	-0.041	-0.010	19.551	-0.020	-0.020	0.000	0.000	0.000	0.000
381	A	381	ASP	-1	-0.914	-0.960	19.841	0.061	0.061	0.000	0.000	0.000	0.000
382	A	382	ILE	0	-0.086	-0.045	17.710	-0.024	-0.024	0.000	0.000	0.000	0.000
383	A	383	VAL	0	-0.024	-0.012	21.003	-0.010	-0.010	0.000	0.000	0.000	0.000
384	A	384	GLY	0	-0.029	0.003	23.550	-0.008	-0.008	0.000	0.000	0.000	0.000
385	A	385	GLY	0	0.073	0.032	24.820	0.023	0.023	0.000	0.000	0.000	0.000
386	A	386	GLU	-1	-0.895	-0.938	27.294	0.134	0.134	0.000	0.000	0.000	0.000
387	A	387	PRO	0	0.015	0.020	24.700	0.018	0.018	0.000	0.000	0.000	0.000
388	A	388	GLY	0	0.076	0.052	26.577	-0.020	-0.020	0.000	0.000	0.000	0.000
389	A	389	PRO	0	-0.009	-0.020	26.744	0.008	0.008	0.000	0.000	0.000	0.000
390	A	390	ILE	0	-0.054	-0.019	21.565	0.015	0.015	0.000	0.000	0.000	0.000
391	A	391	VAL	0	-0.020	-0.003	25.293	-0.023	-0.023	0.000	0.000	0.000	0.000
392	A	392	GLU	-1	-0.794	-0.888	23.062	0.375	0.375	0.000	0.000	0.000	0.000
393	A	393	GLN	0	-0.067	-0.020	25.145	-0.038	-0.038	0.000	0.000	0.000	0.000
394	A	394	VAL	0	0.040	-0.004	24.632	0.038	0.038	0.000	0.000	0.000	0.000
395	A	395	SER	0	-0.060	-0.033	26.353	-0.040	-0.040	0.000	0.000	0.000	0.000
396	A	396	GLU	-1	-0.846	-0.946	26.946	0.295	0.295	0.000	0.000	0.000	0.000
397	A	397	ALA	0	-0.060	-0.026	28.195	0.005	0.005	0.000	0.000	0.000	0.000
398	A	398	HIS	0	0.015	0.014	26.737	-0.004	-0.004	0.000	0.000	0.000	0.000
399	A	399	LEU	0	0.029	0.037	22.122	0.041	0.041	0.000	0.000	0.000	0.000
400	A	400	PRO	0	0.020	0.028	19.854	-0.037	-0.037	0.000	0.000	0.000	0.000
401	A	401	LYS	1	0.798	0.871	22.809	-0.312	-0.312	0.000	0.000	0.000	0.000
402	A	402	VAL	0	0.034	0.028	20.536	0.001	0.001	0.000	0.000	0.000	0.000
403	A	403	ALA	0	-0.041	-0.017	23.906	-0.019	-0.019	0.000	0.000	0.000	0.000
404	A	404	PRO	0	-0.009	-0.006	26.070	0.000	0.000	0.000	0.000	0.000	0.000
405	A	405	ILE	0	-0.002	0.012	22.784	-0.002	-0.002	0.000	0.000	0.000	0.000
406	A	406	THR	0	-0.001	0.009	27.227	-0.011	-0.011	0.000	0.000	0.000	0.000
407	A	407	LEU	0	-0.022	0.000	25.258	0.000	0.000	0.000	0.000	0.000	0.000
408	A	408	ARG	1	0.834	0.874	28.872	-0.006	-0.006	0.000	0.000	0.000	0.000
409	A	409	ALA	0	0.055	0.020	30.868	-0.007	-0.007	0.000	0.000	0.000	0.000
410	A	410	GLU	-1	-0.866	-0.920	31.953	-0.051	-0.051	0.000	0.000	0.000	0.000
411	A	411	ARG	1	0.865	0.910	30.142	0.026	0.026	0.000	0.000	0.000	0.000
412	A	412	VAL	0	0.024	0.027	26.852	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	413	THR	0	-0.009	-0.012	29.155	-0.014	-0.014	0.000	0.000	0.000	0.000
414	A	414	GLN	0	-0.096	-0.042	31.841	0.003	0.003	0.000	0.000	0.000	0.000
415	A	415	MET	0	-0.035	-0.015	26.207	-0.002	-0.002	0.000	0.000	0.000	0.000
416	A	416	LEU	0	0.027	0.016	24.975	-0.007	-0.007	0.000	0.000	0.000	0.000
417	A	417	GLY	0	-0.046	-0.010	28.248	-0.013	-0.013	0.000	0.000	0.000	0.000
418	A	418	MET	0	-0.042	-0.033	29.106	-0.006	-0.006	0.000	0.000	0.000	0.000
419	A	419	PRO	0	-0.028	0.004	30.718	0.000	0.000	0.000	0.000	0.000	0.000
420	A	420	LEU	0	0.031	0.018	25.688	-0.010	-0.010	0.000	0.000	0.000	0.000
421	A	421	ASP	-1	-0.890	-0.946	29.892	-0.142	-0.142	0.000	0.000	0.000	0.000
422	A	422	ALA	0	0.008	-0.008	29.382	-0.006	-0.006	0.000	0.000	0.000	0.000
423	A	423	ALA	0	-0.011	-0.005	29.093	0.001	0.001	0.000	0.000	0.000	0.000
424	A	424	GLU	-1	-0.806	-0.890	25.162	-0.277	-0.277	0.000	0.000	0.000	0.000
425	A	425	ILE	0	0.007	-0.004	24.881	-0.012	-0.012	0.000	0.000	0.000	0.000
426	A	426	VAL	0	-0.008	-0.009	24.271	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	427	ARG	1	0.769	0.863	22.788	0.285	0.285	0.000	0.000	0.000	0.000
428	A	428	LEU	0	-0.001	0.004	20.116	-0.014	-0.014	0.000	0.000	0.000	0.000
429	A	429	LEU	0	0.020	-0.001	19.477	-0.011	-0.011	0.000	0.000	0.000	0.000
430	A	430	GLN	0	-0.021	-0.023	19.753	0.032	0.032	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.010	0.020	17.861	0.014	0.014	0.000	0.000	0.000	0.000
432	A	432	LEU	0	-0.013	0.005	14.222	-0.037	-0.037	0.000	0.000	0.000	0.000
433	A	433	GLU	-1	-0.851	-0.911	14.346	0.025	0.025	0.000	0.000	0.000	0.000
434	A	434	LEU	0	-0.027	0.001	18.044	0.055	0.055	0.000	0.000	0.000	0.000
435	A	435	THR	0	-0.059	-0.033	20.580	-0.017	-0.017	0.000	0.000	0.000	0.000
436	A	436	VAL	0	0.007	0.009	23.891	0.014	0.014	0.000	0.000	0.000	0.000
437	A	437	VAL	0	0.004	0.005	26.355	-0.006	-0.006	0.000	0.000	0.000	0.000
438	A	438	ALA	0	-0.022	-0.013	30.094	0.003	0.003	0.000	0.000	0.000	0.000
439	A	439	ASP	-1	-0.879	-0.922	33.010	0.025	0.025	0.000	0.000	0.000	0.000
440	A	440	GLY	0	0.009	0.007	34.954	0.002	0.002	0.000	0.000	0.000	0.000
441	A	441	GLU	-1	-0.951	-0.990	36.530	-0.059	-0.059	0.000	0.000	0.000	0.000
442	A	442	GLY	0	-0.001	0.006	34.633	0.003	0.003	0.000	0.000	0.000	0.000
443	A	443	GLN	0	-0.081	-0.051	32.694	0.003	0.003	0.000	0.000	0.000	0.000
444	A	444	TRP	0	-0.026	-0.006	28.923	-0.007	-0.007	0.000	0.000	0.000	0.000
445	A	445	SER	0	0.010	-0.018	29.464	0.011	0.011	0.000	0.000	0.000	0.000
446	A	446	VAL	0	-0.029	-0.029	22.998	-0.009	-0.009	0.000	0.000	0.000	0.000
447	A	447	GLY	0	-0.019	0.004	24.109	0.019	0.019	0.000	0.000	0.000	0.000
448	A	448	VAL	0	0.025	-0.002	18.466	-0.034	-0.034	0.000	0.000	0.000	0.000
449	A	449	PRO	0	0.018	0.031	16.173	0.031	0.031	0.000	0.000	0.000	0.000
450	A	450	SER	0	-0.014	-0.040	16.248	0.007	0.007	0.000	0.000	0.000	0.000
451	A	451	HIS	0	-0.044	-0.039	11.648	0.152	0.152	0.000	0.000	0.000	0.000
452	A	452	ARG	1	0.722	0.826	12.284	0.089	0.089	0.000	0.000	0.000	0.000
453	A	453	PHE	0	0.006	-0.005	13.409	-0.013	-0.013	0.000	0.000	0.000	0.000
454	A	454	ASP	-1	-0.820	-0.881	14.094	0.204	0.204	0.000	0.000	0.000	0.000
455	A	455	ILE	0	-0.028	0.010	16.229	-0.061	-0.061	0.000	0.000	0.000	0.000
456	A	456	SER	0	-0.047	-0.039	18.795	0.031	0.031	0.000	0.000	0.000	0.000
457	A	457	LEU	0	-0.066	-0.037	22.423	-0.018	-0.018	0.000	0.000	0.000	0.000
458	A	458	GLU	-1	-0.709	-0.843	23.516	-0.020	-0.020	0.000	0.000	0.000	0.000
459	A	459	VAL	0	-0.015	-0.019	23.481	-0.023	-0.023	0.000	0.000	0.000	0.000
460	A	460	ASP	-1	-0.653	-0.829	19.505	0.087	0.087	0.000	0.000	0.000	0.000
461	A	461	LEU	0	-0.002	0.007	19.826	-0.033	-0.033	0.000	0.000	0.000	0.000
462	A	462	ILE	0	-0.046	-0.033	21.692	-0.035	-0.035	0.000	0.000	0.000	0.000
463	A	463	GLU	-1	-0.852	-0.904	16.875	-0.278	-0.278	0.000	0.000	0.000	0.000
464	A	464	GLU	-1	-0.707	-0.836	14.959	-0.281	-0.281	0.000	0.000	0.000	0.000
465	A	465	LEU	0	-0.033	-0.007	18.522	-0.053	-0.053	0.000	0.000	0.000	0.000
466	A	466	ALA	0	-0.035	-0.020	21.111	-0.032	-0.032	0.000	0.000	0.000	0.000
467	A	467	ARG	1	0.771	0.860	11.932	0.561	0.561	0.000	0.000	0.000	0.000
468	A	468	LEU	0	-0.005	0.001	15.028	-0.070	-0.070	0.000	0.000	0.000	0.000
469	A	469	TYR	0	-0.030	-0.009	18.309	-0.024	-0.024	0.000	0.000	0.000	0.000
470	A	470	GLY	0	0.035	0.005	19.787	-0.024	-0.024	0.000	0.000	0.000	0.000
471	A	471	TYR	0	-0.017	-0.043	18.459	0.034	0.034	0.000	0.000	0.000	0.000
472	A	472	ASN	0	-0.029	-0.019	20.403	0.062	0.062	0.000	0.000	0.000	0.000
473	A	473	ARG	1	0.830	0.925	23.391	0.351	0.351	0.000	0.000	0.000	0.000
474	A	474	LEU	0	-0.018	0.006	23.624	0.028	0.028	0.000	0.000	0.000	0.000
475	A	475	PRO	0	-0.026	-0.007	26.650	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	476	VAL	0	0.026	0.019	29.059	0.000	0.000	0.000	0.000	0.000	0.000
477	A	477	ARG	1	0.918	0.959	31.352	0.108	0.108	0.000	0.000	0.000	0.000
478	A	478	TYR	0	0.029	0.012	33.497	0.000	0.000	0.000	0.000	0.000	0.000
479	A	479	PRO	0	-0.013	-0.002	34.457	0.005	0.005	0.000	0.000	0.000	0.000
480	A	480	GLN	0	0.014	0.011	37.083	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	481	ALA	0	0.031	-0.004	40.492	0.004	0.004	0.000	0.000	0.000	0.000
482	A	482	ARG	1	0.926	0.972	42.814	0.039	0.039	0.000	0.000	0.000	0.000
483	A	483	LEU	0	0.024	0.010	42.993	0.004	0.004	0.000	0.000	0.000	0.000
484	A	484	ALA	0	0.025	0.015	47.007	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	485	PRO	0	0.004	-0.001	49.384	0.000	0.000	0.000	0.000	0.000	0.000
486	A	486	ASN	0	-0.055	-0.030	47.080	0.004	0.004	0.000	0.000	0.000	0.000
487	A	487	ASN	0	0.037	0.010	50.224	-0.003	-0.003	0.000	0.000	0.000	0.000
488	A	488	LYS	1	0.962	0.993	44.702	0.022	0.022	0.000	0.000	0.000	0.000
489	A	489	PRO	0	0.002	-0.014	51.249	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	490	GLU	-1	-0.907	-0.955	54.015	-0.015	-0.015	0.000	0.000	0.000	0.000
491	A	491	ALA	0	-0.017	0.005	56.103	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	492	ARG	1	0.834	0.900	50.275	0.001	0.001	0.000	0.000	0.000	0.000
493	A	493	ALA	0	0.004	0.018	52.813	-0.003	-0.003	0.000	0.000	0.000	0.000
494	A	494	ALA	0	-0.009	-0.009	47.411	0.002	0.002	0.000	0.000	0.000	0.000
495	A	495	LEU	0	0.097	0.037	42.775	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	496	PRO	0	-0.049	-0.046	43.402	-0.002	-0.002	0.000	0.000	0.000	0.000
497	A	497	LEU	0	-0.009	0.003	45.591	-0.003	-0.003	0.000	0.000	0.000	0.000
498	A	498	LEU	0	0.057	0.027	48.828	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	499	ARG	1	0.853	0.925	39.774	0.019	0.019	0.000	0.000	0.000	0.000
500	A	500	ARG	1	0.965	0.978	44.271	0.032	0.032	0.000	0.000	0.000	0.000
501	A	501	LEU	0	-0.013	0.017	48.704	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	502	LEU	0	0.046	0.012	48.910	0.000	0.000	0.000	0.000	0.000	0.000
503	A	503	VAL	0	0.004	0.013	46.131	0.000	0.000	0.000	0.000	0.000	0.000
504	A	504	ALA	0	-0.024	-0.015	49.296	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	505	ARG	1	0.818	0.901	52.718	0.009	0.009	0.000	0.000	0.000	0.000
506	A	506	GLY	0	0.006	0.010	52.177	0.002	0.002	0.000	0.000	0.000	0.000
507	A	507	TYR	0	-0.112	-0.080	48.507	0.002	0.002	0.000	0.000	0.000	0.000
508	A	508	GLN	0	-0.017	-0.011	43.538	-0.005	-0.005	0.000	0.000	0.000	0.000
509	A	509	GLU	-1	-0.827	-0.900	40.998	-0.015	-0.015	0.000	0.000	0.000	0.000
510	A	510	ALA	0	-0.030	-0.019	40.426	-0.003	-0.003	0.000	0.000	0.000	0.000
511	A	511	ILE	0	0.002	-0.010	35.000	0.001	0.001	0.000	0.000	0.000	0.000
512	A	512	THR	0	-0.070	-0.059	36.895	0.002	0.002	0.000	0.000	0.000	0.000
513	A	513	PHE	0	0.020	0.008	30.366	0.001	0.001	0.000	0.000	0.000	0.000
514	A	514	SER	0	-0.018	-0.023	35.055	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	515	PHE	0	0.004	0.010	30.309	0.001	0.001	0.000	0.000	0.000	0.000
516	A	516	ILE	0	-0.030	-0.022	36.239	-0.005	-0.005	0.000	0.000	0.000	0.000
517	A	517	ASP	-1	-0.775	-0.902	38.666	0.081	0.081	0.000	0.000	0.000	0.000
518	A	518	PRO	0	-0.013	-0.007	39.102	-0.006	-0.006	0.000	0.000	0.000	0.000
519	A	519	ALA	0	0.048	0.038	42.282	-0.004	-0.004	0.000	0.000	0.000	0.000
520	A	520	LEU	0	-0.052	-0.032	42.514	-0.006	-0.006	0.000	0.000	0.000	0.000
521	A	521	PHE	0	-0.014	-0.023	43.138	-0.004	-0.004	0.000	0.000	0.000	0.000
522	A	522	GLU	-1	-0.909	-0.956	45.203	0.073	0.073	0.000	0.000	0.000	0.000
523	A	523	LEU	0	-0.081	-0.034	47.524	-0.004	-0.004	0.000	0.000	0.000	0.000
524	A	524	PHE	0	-0.032	-0.036	47.762	-0.004	-0.004	0.000	0.000	0.000	0.000
525	A	525	ASP	-1	-0.831	-0.867	48.232	0.051	0.051	0.000	0.000	0.000	0.000
526	A	526	PRO	0	0.035	0.020	49.779	0.004	0.004	0.000	0.000	0.000	0.000
527	A	527	GLY	0	-0.049	-0.025	51.906	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	528	THR	0	-0.064	-0.042	47.714	0.002	0.002	0.000	0.000	0.000	0.000
529	A	529	GLN	0	-0.023	-0.009	45.185	0.005	0.005	0.000	0.000	0.000	0.000
530	A	530	PRO	0	0.062	0.034	42.004	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	531	LEU	0	0.008	0.015	38.585	0.005	0.005	0.000	0.000	0.000	0.000
532	A	532	THR	0	-0.025	-0.020	37.700	-0.003	-0.003	0.000	0.000	0.000	0.000
533	A	533	LEU	0	-0.042	-0.014	32.167	0.006	0.006	0.000	0.000	0.000	0.000
534	A	534	ALA	0	0.016	0.006	32.466	0.000	0.000	0.000	0.000	0.000	0.000
535	A	535	ASN	0	-0.023	-0.022	26.909	-0.005	-0.005	0.000	0.000	0.000	0.000
536	A	536	PRO	0	-0.031	0.001	29.238	0.003	0.003	0.000	0.000	0.000	0.000
537	A	537	ILE	0	0.017	0.011	25.554	0.013	0.013	0.000	0.000	0.000	0.000
538	A	538	SER	0	-0.018	-0.038	28.888	0.008	0.008	0.000	0.000	0.000	0.000
539	A	539	ALA	0	0.022	0.001	31.792	0.000	0.000	0.000	0.000	0.000	0.000
540	A	540	ASP	-1	-0.887	-0.929	34.761	0.089	0.089	0.000	0.000	0.000	0.000
541	A	541	MET	0	-0.044	-0.025	31.892	-0.009	-0.009	0.000	0.000	0.000	0.000
542	A	542	ALA	0	0.041	0.015	33.965	0.009	0.009	0.000	0.000	0.000	0.000
543	A	543	ALA	0	0.012	0.021	36.164	0.005	0.005	0.000	0.000	0.000	0.000
544	A	544	MET	0	-0.041	-0.004	35.539	-0.004	-0.004	0.000	0.000	0.000	0.000
545	A	545	ARG	1	0.826	0.921	39.108	-0.039	-0.039	0.000	0.000	0.000	0.000
546	A	546	SER	0	0.006	-0.022	41.679	0.000	0.000	0.000	0.000	0.000	0.000
547	A	547	SER	0	-0.034	-0.060	44.690	-0.004	-0.004	0.000	0.000	0.000	0.000
548	A	548	LEU	0	-0.035	-0.026	42.052	0.003	0.003	0.000	0.000	0.000	0.000
549	A	549	TRP	0	-0.025	-0.022	44.413	-0.002	-0.002	0.000	0.000	0.000	0.000
550	A	550	PRO	0	0.014	0.026	43.625	-0.003	-0.003	0.000	0.000	0.000	0.000
551	A	551	GLY	0	0.069	0.029	41.591	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	552	LEU	0	-0.014	-0.009	42.230	-0.004	-0.004	0.000	0.000	0.000	0.000
553	A	553	VAL	0	0.020	0.002	44.653	-0.004	-0.004	0.000	0.000	0.000	0.000
554	A	554	LYS	1	0.908	0.957	41.418	-0.040	-0.040	0.000	0.000	0.000	0.000
555	A	555	ALA	0	0.034	0.021	41.448	-0.003	-0.003	0.000	0.000	0.000	0.000
556	A	556	LEU	0	-0.003	-0.005	42.693	-0.005	-0.005	0.000	0.000	0.000	0.000
557	A	557	GLN	0	0.051	0.018	45.071	0.000	0.000	0.000	0.000	0.000	0.000
558	A	558	HIS	0	-0.013	0.003	38.159	0.002	0.002	0.000	0.000	0.000	0.000
559	A	559	ASN	0	-0.031	-0.034	42.805	-0.007	-0.007	0.000	0.000	0.000	0.000
560	A	560	LEU	0	0.011	0.010	44.953	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	561	ASN	0	-0.061	-0.023	44.832	0.001	0.001	0.000	0.000	0.000	0.000
562	A	562	ARG	1	0.873	0.929	39.033	-0.003	-0.003	0.000	0.000	0.000	0.000
563	A	563	GLN	0	-0.023	-0.012	45.246	-0.005	-0.005	0.000	0.000	0.000	0.000
564	A	564	GLN	0	-0.023	0.016	46.112	-0.004	-0.004	0.000	0.000	0.000	0.000
565	A	565	SER	0	0.016	-0.003	49.242	0.003	0.003	0.000	0.000	0.000	0.000
566	A	566	ARG	1	0.850	0.916	52.132	0.016	0.016	0.000	0.000	0.000	0.000
567	A	567	VAL	0	0.020	0.024	47.122	-0.003	-0.003	0.000	0.000	0.000	0.000
568	A	568	ARG	1	0.822	0.899	49.164	0.011	0.011	0.000	0.000	0.000	0.000
569	A	569	LEU	0	-0.002	0.000	44.111	-0.003	-0.003	0.000	0.000	0.000	0.000
570	A	570	PHE	0	0.007	-0.006	44.386	0.003	0.003	0.000	0.000	0.000	0.000
571	A	571	GLU	-1	-0.725	-0.807	39.738	0.018	0.018	0.000	0.000	0.000	0.000
572	A	572	SER	0	-0.028	-0.019	41.495	0.000	0.000	0.000	0.000	0.000	0.000
573	A	573	GLY	0	0.016	-0.004	40.448	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	574	LEU	0	0.003	0.004	38.244	-0.002	-0.002	0.000	0.000	0.000	0.000
575	A	575	ARG	1	0.834	0.929	41.157	-0.037	-0.037	0.000	0.000	0.000	0.000
576	A	576	PHE	0	-0.008	-0.035	37.176	0.001	0.001	0.000	0.000	0.000	0.000
577	A	577	VAL	0	0.009	-0.003	42.609	0.001	0.001	0.000	0.000	0.000	0.000
578	A	578	GLY	0	0.060	0.034	45.920	0.000	0.000	0.000	0.000	0.000	0.000
579	A	579	GLN	0	-0.025	-0.027	43.030	0.008	0.008	0.000	0.000	0.000	0.000
580	A	580	LEU	0	0.027	-0.005	38.042	-0.004	-0.004	0.000	0.000	0.000	0.000
581	A	581	GLU	-1	-0.938	-0.958	42.019	0.093	0.093	0.000	0.000	0.000	0.000
582	A	582	GLY	0	-0.006	-0.007	45.145	-0.004	-0.004	0.000	0.000	0.000	0.000
583	A	583	LEU	0	-0.082	-0.016	39.828	-0.005	-0.005	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.827	0.908	44.276	-0.051	-0.051	0.000	0.000	0.000	0.000
585	A	585	GLN	0	0.030	0.011	38.383	0.000	0.000	0.000	0.000	0.000	0.000
586	A	586	GLU	-1	-0.788	-0.865	42.743	0.039	0.039	0.000	0.000	0.000	0.000
587	A	587	ALA	0	-0.002	0.001	43.405	0.000	0.000	0.000	0.000	0.000	0.000
588	A	588	MET	0	-0.011	0.000	44.410	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	589	LEU	0	-0.007	-0.011	45.039	-0.003	-0.003	0.000	0.000	0.000	0.000
590	A	590	ALA	0	0.013	0.008	46.433	0.002	0.002	0.000	0.000	0.000	0.000
591	A	591	GLY	0	0.018	-0.001	47.385	-0.004	-0.004	0.000	0.000	0.000	0.000
592	A	592	ALA	0	-0.008	-0.005	48.349	0.003	0.003	0.000	0.000	0.000	0.000
593	A	593	ILE	0	-0.045	-0.012	50.049	-0.004	-0.004	0.000	0.000	0.000	0.000
594	A	594	CYS	0	0.063	0.030	52.137	0.002	0.002	0.000	0.000	0.000	0.000
595	A	595	GLY	0	0.068	0.052	53.966	-0.003	-0.003	0.000	0.000	0.000	0.000
596	A	596	LYS	1	0.851	0.907	55.985	0.007	0.007	0.000	0.000	0.000	0.000
597	A	597	ARG	1	0.819	0.885	57.393	0.003	0.003	0.000	0.000	0.000	0.000
598	A	598	LEU	0	-0.014	-0.005	58.362	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	599	PRO	0	-0.013	-0.019	55.250	0.001	0.001	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.833	-0.899	56.890	-0.016	-0.016	0.000	0.000	0.000	0.000
601	A	601	GLY	0	0.020	0.000	58.468	-0.002	-0.002	0.000	0.000	0.000	0.000
602	A	602	TRP	0	-0.021	-0.019	61.196	0.002	0.002	0.000	0.000	0.000	0.000
603	A	603	ALA	0	0.000	0.005	64.279	0.001	0.001	0.000	0.000	0.000	0.000
604	A	604	ASN	0	-0.051	-0.022	60.129	0.001	0.001	0.000	0.000	0.000	0.000
605	A	605	GLY	0	0.038	0.031	64.160	0.000	0.000	0.000	0.000	0.000	0.000
606	A	606	ARG	1	0.872	0.915	62.902	0.015	0.015	0.000	0.000	0.000	0.000
607	A	607	ASP	-1	-0.819	-0.886	63.607	-0.006	-0.006	0.000	0.000	0.000	0.000
608	A	608	GLY	0	-0.032	-0.016	60.716	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	609	VAL	0	-0.012	-0.004	56.538	0.000	0.000	0.000	0.000	0.000	0.000
610	A	610	ASP	-1	-0.825	-0.912	59.899	0.003	0.003	0.000	0.000	0.000	0.000
611	A	611	PHE	0	0.033	0.005	60.452	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	612	PHE	0	-0.019	-0.025	60.898	0.000	0.000	0.000	0.000	0.000	0.000
613	A	613	ASP	-1	-0.808	-0.873	59.333	-0.004	-0.004	0.000	0.000	0.000	0.000
614	A	614	ALA	0	0.009	0.004	56.617	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	615	LYS	1	0.794	0.889	57.733	-0.004	-0.004	0.000	0.000	0.000	0.000
616	A	616	ALA	0	0.053	0.033	60.166	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	ASP	-1	-0.771	-0.839	54.866	-0.008	-0.008	0.000	0.000	0.000	0.000
618	A	618	VAL	0	0.015	0.010	55.245	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	619	GLU	-1	-0.823	-0.908	56.934	0.001	0.001	0.000	0.000	0.000	0.000
620	A	620	ALA	0	-0.020	-0.010	57.165	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	621	VAL	0	-0.020	-0.012	52.862	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	622	LEU	0	0.007	-0.007	55.437	0.000	0.000	0.000	0.000	0.000	0.000
623	A	623	ALA	0	-0.031	-0.010	57.839	0.000	0.000	0.000	0.000	0.000	0.000
624	A	624	SER	0	-0.052	-0.030	54.863	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	625	ALA	0	-0.015	0.007	55.887	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	626	GLY	0	0.032	0.019	57.887	0.001	0.001	0.000	0.000	0.000	0.000
627	A	627	ALA	0	-0.040	-0.031	60.033	0.001	0.001	0.000	0.000	0.000	0.000
628	A	628	LEU	0	0.043	0.022	61.511	0.001	0.001	0.000	0.000	0.000	0.000
629	A	629	GLY	0	-0.025	-0.012	62.744	0.001	0.001	0.000	0.000	0.000	0.000
630	A	630	ASP	-1	-0.791	-0.867	62.044	0.007	0.007	0.000	0.000	0.000	0.000
631	A	631	PHE	0	-0.038	-0.016	57.405	0.002	0.002	0.000	0.000	0.000	0.000
632	A	632	SER	0	-0.030	-0.001	62.692	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	633	PHE	0	0.006	-0.006	59.780	0.001	0.001	0.000	0.000	0.000	0.000
634	A	634	VAL	0	0.020	0.005	63.759	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	635	PRO	0	0.001	-0.006	64.218	0.001	0.001	0.000	0.000	0.000	0.000
636	A	636	GLY	0	0.013	0.007	62.662	0.001	0.001	0.000	0.000	0.000	0.000
637	A	637	GLU	-1	-0.914	-0.963	61.618	0.027	0.027	0.000	0.000	0.000	0.000
638	A	638	HIS	0	0.027	0.010	52.704	0.000	0.000	0.000	0.000	0.000	0.000
639	A	639	PRO	0	0.014	0.017	54.337	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	640	ALA	0	0.023	0.015	52.481	0.000	0.000	0.000	0.000	0.000	0.000
641	A	641	LEU	0	-0.051	-0.022	54.401	-0.002	-0.002	0.000	0.000	0.000	0.000
642	A	642	HIS	0	0.049	0.013	57.279	0.002	0.002	0.000	0.000	0.000	0.000
643	A	643	PRO	0	0.015	0.023	60.654	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	644	GLY	0	-0.003	0.015	63.360	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	645	GLN	0	-0.080	-0.049	62.391	-0.002	-0.002	0.000	0.000	0.000	0.000
646	A	646	THR	0	0.025	-0.009	59.437	0.000	0.000	0.000	0.000	0.000	0.000
647	A	647	ALA	0	-0.033	-0.014	60.599	0.000	0.000	0.000	0.000	0.000	0.000
648	A	648	ARG	1	0.866	0.919	59.404	-0.026	-0.026	0.000	0.000	0.000	0.000
649	A	649	ILE	0	-0.026	-0.015	56.569	-0.002	-0.002	0.000	0.000	0.000	0.000
650	A	650	GLU	-1	-0.798	-0.896	58.942	0.024	0.024	0.000	0.000	0.000	0.000
651	A	651	ARG	1	0.802	0.868	57.253	-0.011	-0.011	0.000	0.000	0.000	0.000
652	A	652	GLU	-1	-0.912	-0.957	61.059	0.016	0.016	0.000	0.000	0.000	0.000
653	A	653	GLY	0	-0.010	0.003	63.460	0.001	0.001	0.000	0.000	0.000	0.000
654	A	654	ARG	1	0.813	0.900	58.048	-0.017	-0.017	0.000	0.000	0.000	0.000
655	A	655	LEU	0	-0.019	-0.007	55.444	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	656	VAL	0	-0.020	-0.002	54.939	0.001	0.001	0.000	0.000	0.000	0.000
657	A	657	GLY	0	0.003	-0.015	53.718	0.001	0.001	0.000	0.000	0.000	0.000
658	A	658	TYR	0	-0.024	-0.007	54.454	0.000	0.000	0.000	0.000	0.000	0.000
659	A	659	LEU	0	-0.001	0.004	54.947	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.063	0.022	56.682	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	ALA	0	-0.012	0.016	56.648	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	662	LEU	0	0.011	-0.002	51.877	0.002	0.002	0.000	0.000	0.000	0.000
663	A	663	HIS	0	0.022	0.011	55.554	-0.002	-0.002	0.000	0.000	0.000	0.000
664	A	664	PRO	0	0.025	-0.001	56.288	0.001	0.001	0.000	0.000	0.000	0.000
665	A	665	GLU	-1	-0.824	-0.906	57.427	0.031	0.031	0.000	0.000	0.000	0.000
666	A	666	LEU	0	-0.014	-0.006	51.418	0.002	0.002	0.000	0.000	0.000	0.000
667	A	667	ALA	0	-0.001	0.005	52.478	0.001	0.001	0.000	0.000	0.000	0.000
668	A	668	LYS	1	0.828	0.903	53.161	-0.029	-0.029	0.000	0.000	0.000	0.000
669	A	669	LYS	1	0.914	0.956	51.314	-0.042	-0.042	0.000	0.000	0.000	0.000
670	A	670	LEU	0	-0.049	-0.012	47.075	0.003	0.003	0.000	0.000	0.000	0.000
671	A	671	ASP	-1	-0.943	-0.955	49.135	0.022	0.022	0.000	0.000	0.000	0.000
672	A	672	LEU	0	-0.026	-0.014	48.967	-0.003	-0.003	0.000	0.000	0.000	0.000
673	A	673	GLU	-1	-0.919	-0.958	52.789	0.013	0.013	0.000	0.000	0.000	0.000
674	A	674	GLN	0	-0.076	-0.046	53.557	-0.003	-0.003	0.000	0.000	0.000	0.000
675	A	675	PRO	0	-0.017	-0.006	55.678	0.002	0.002	0.000	0.000	0.000	0.000
676	A	676	VAL	0	0.011	0.004	51.477	-0.002	-0.002	0.000	0.000	0.000	0.000
677	A	677	PHE	0	-0.042	-0.007	54.700	0.002	0.002	0.000	0.000	0.000	0.000
678	A	678	LEU	0	0.006	0.012	50.289	-0.002	-0.002	0.000	0.000	0.000	0.000
679	A	679	PHE	0	0.056	0.007	51.141	0.000	0.000	0.000	0.000	0.000	0.000
680	A	680	GLU	-1	-0.812	-0.860	47.344	0.031	0.031	0.000	0.000	0.000	0.000
681	A	681	LEU	0	-0.017	-0.011	50.221	0.000	0.000	0.000	0.000	0.000	0.000
682	A	682	LEU	0	0.049	0.011	48.821	0.000	0.000	0.000	0.000	0.000	0.000
683	A	683	LEU	0	-0.011	-0.012	45.741	-0.003	-0.003	0.000	0.000	0.000	0.000
684	A	684	ALA	0	-0.020	-0.013	49.274	-0.003	-0.003	0.000	0.000	0.000	0.000
685	A	685	GLU	-1	-0.802	-0.894	50.709	0.018	0.018	0.000	0.000	0.000	0.000
686	A	686	VAL	0	-0.027	-0.002	52.269	-0.002	-0.002	0.000	0.000	0.000	0.000
687	A	687	VAL	0	-0.082	-0.027	49.528	-0.002	-0.002	0.000	0.000	0.000	0.000
688	A	688	ASP	-1	-0.804	-0.879	52.827	0.004	0.004	0.000	0.000	0.000	0.000
689	A	689	GLY	0	0.084	0.035	55.978	0.001	0.001	0.000	0.000	0.000	0.000
690	A	690	HIS	1	0.772	0.869	58.910	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	691	LEU	0	-0.007	0.010	60.812	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	692	PRO	0	0.007	-0.001	62.531	0.001	0.001	0.000	0.000	0.000	0.000
693	A	693	LYS	1	0.958	0.987	65.740	0.001	0.001	0.000	0.000	0.000	0.000
694	A	694	PHE	0	-0.009	-0.004	69.097	0.000	0.000	0.000	0.000	0.000	0.000
695	A	695	ARG	1	0.970	0.985	71.739	0.003	0.003	0.000	0.000	0.000	0.000
696	A	696	GLU	-1	-0.905	-0.971	74.920	-0.009	-0.009	0.000	0.000	0.000	0.000
697	A	697	LEU	0	-0.016	0.008	75.289	0.001	0.001	0.000	0.000	0.000	0.000
698	A	698	SER	0	0.002	-0.005	79.210	0.000	0.000	0.000	0.000	0.000	0.000
699	A	699	ARG	1	0.893	0.945	82.600	0.008	0.008	0.000	0.000	0.000	0.000
700	A	700	PHE	0	-0.021	-0.003	85.192	0.000	0.000	0.000	0.000	0.000	0.000
701	A	701	PRO	0	0.016	0.004	84.851	0.000	0.000	0.000	0.000	0.000	0.000
702	A	702	GLU	-1	-0.929	-0.957	80.163	-0.006	-0.006	0.000	0.000	0.000	0.000
703	A	703	VAL	0	-0.043	-0.027	84.457	0.000	0.000	0.000	0.000	0.000	0.000
704	A	704	ARG	1	0.847	0.887	78.680	0.004	0.004	0.000	0.000	0.000	0.000
705	A	705	ARG	1	0.746	0.843	84.644	0.002	0.002	0.000	0.000	0.000	0.000
706	A	706	ASP	-1	-0.775	-0.854	83.066	-0.003	-0.003	0.000	0.000	0.000	0.000
707	A	707	LEU	0	-0.008	-0.007	83.629	0.000	0.000	0.000	0.000	0.000	0.000
708	A	708	ALA	0	-0.013	0.002	83.237	0.000	0.000	0.000	0.000	0.000	0.000
709	A	709	LEU	0	0.018	-0.004	81.883	0.000	0.000	0.000	0.000	0.000	0.000
710	A	710	LEU	0	-0.031	-0.014	82.610	0.000	0.000	0.000	0.000	0.000	0.000
711	A	711	VAL	0	0.004	-0.004	79.777	0.000	0.000	0.000	0.000	0.000	0.000
712	A	712	ASP	-1	-0.822	-0.918	79.552	0.011	0.011	0.000	0.000	0.000	0.000
713	A	713	GLN	0	0.011	-0.029	74.571	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	714	ASP	-1	-0.824	-0.883	75.086	0.013	0.013	0.000	0.000	0.000	0.000
715	A	715	VAL	0	-0.061	-0.010	74.846	0.001	0.001	0.000	0.000	0.000	0.000
716	A	716	PRO	0	0.028	0.016	71.607	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	717	ALA	0	0.018	-0.004	72.617	0.000	0.000	0.000	0.000	0.000	0.000
718	A	718	GLN	0	0.002	-0.005	69.166	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	719	ASP	-1	-0.812	-0.894	72.728	0.012	0.012	0.000	0.000	0.000	0.000
720	A	720	ILE	0	-0.003	-0.003	75.309	0.000	0.000	0.000	0.000	0.000	0.000
721	A	721	LEU	0	-0.013	-0.012	73.284	-0.001	-0.001	0.000	0.000	0.000	0.000
722	A	722	THR	0	-0.035	-0.030	73.898	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	723	GLN	0	-0.004	-0.014	76.133	0.000	0.000	0.000	0.000	0.000	0.000
724	A	724	ILE	0	0.016	0.021	79.344	0.000	0.000	0.000	0.000	0.000	0.000
725	A	725	ARG	1	0.929	0.957	73.574	-0.002	-0.002	0.000	0.000	0.000	0.000
726	A	726	ALA	0	-0.053	-0.015	79.189	0.000	0.000	0.000	0.000	0.000	0.000
727	A	727	ALA	0	0.021	0.015	80.941	0.000	0.000	0.000	0.000	0.000	0.000
728	A	728	ALA	0	-0.035	-0.016	81.709	0.000	0.000	0.000	0.000	0.000	0.000
729	A	729	GLY	0	0.046	0.033	83.806	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	730	GLU	-1	-0.924	-0.982	82.274	0.001	0.001	0.000	0.000	0.000	0.000
731	A	731	TRP	0	-0.012	-0.018	82.103	-0.001	-0.001	0.000	0.000	0.000	0.000
732	A	732	LEU	0	-0.042	0.000	78.604	-0.001	-0.001	0.000	0.000	0.000	0.000
733	A	733	THR	0	-0.007	-0.014	78.172	0.000	0.000	0.000	0.000	0.000	0.000
734	A	734	ASP	-1	-0.844	-0.911	74.809	-0.004	-0.004	0.000	0.000	0.000	0.000
735	A	735	LEU	0	-0.028	0.000	75.724	0.000	0.000	0.000	0.000	0.000	0.000
736	A	736	ARG	1	0.822	0.894	72.033	0.005	0.005	0.000	0.000	0.000	0.000
737	A	737	LEU	0	0.027	0.017	72.969	0.000	0.000	0.000	0.000	0.000	0.000
738	A	738	PHE	0	-0.050	-0.040	73.941	0.000	0.000	0.000	0.000	0.000	0.000
739	A	739	ASP	-1	-0.901	-0.956	76.058	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	740	VAL	0	-0.017	0.008	73.348	0.001	0.001	0.000	0.000	0.000	0.000
741	A	741	TYR	0	-0.012	-0.004	76.714	0.000	0.000	0.000	0.000	0.000	0.000
742	A	742	HIS	0	0.033	0.008	76.721	0.000	0.000	0.000	0.000	0.000	0.000
743	A	743	GLY	0	0.051	0.021	78.833	0.000	0.000	0.000	0.000	0.000	0.000
744	A	744	LYS	1	0.950	0.974	81.472	-0.003	-0.003	0.000	0.000	0.000	0.000
745	A	745	GLY	0	-0.060	-0.032	84.898	0.000	0.000	0.000	0.000	0.000	0.000
746	A	746	ILE	0	-0.046	-0.015	82.211	0.000	0.000	0.000	0.000	0.000	0.000
747	A	747	ASP	-1	-0.835	-0.928	85.521	0.008	0.008	0.000	0.000	0.000	0.000
748	A	748	PRO	0	0.000	-0.006	82.392	0.000	0.000	0.000	0.000	0.000	0.000
749	A	749	HIS	0	0.010	0.023	81.019	0.001	0.001	0.000	0.000	0.000	0.000
750	A	750	ARG	1	0.803	0.907	81.807	-0.008	-0.008	0.000	0.000	0.000	0.000
751	A	751	LYS	1	0.820	0.894	74.897	-0.009	-0.009	0.000	0.000	0.000	0.000
752	A	752	SER	0	-0.056	-0.029	80.597	0.000	0.000	0.000	0.000	0.000	0.000
753	A	753	LEU	0	-0.019	-0.009	76.607	0.000	0.000	0.000	0.000	0.000	0.000
754	A	754	ALA	0	0.014	0.013	79.252	0.000	0.000	0.000	0.000	0.000	0.000
755	A	755	VAL	0	0.017	0.003	77.829	0.000	0.000	0.000	0.000	0.000	0.000
756	A	756	GLY	0	0.003	0.004	79.013	0.000	0.000	0.000	0.000	0.000	0.000
757	A	757	LEU	0	-0.026	-0.018	79.400	0.000	0.000	0.000	0.000	0.000	0.000
758	A	758	THR	0	0.014	0.000	79.387	0.000	0.000	0.000	0.000	0.000	0.000
759	A	759	TRP	0	-0.010	-0.009	81.213	0.000	0.000	0.000	0.000	0.000	0.000
760	A	760	GLN	0	0.005	-0.010	80.950	0.000	0.000	0.000	0.000	0.000	0.000
761	A	761	HIS	0	0.043	0.048	83.605	0.000	0.000	0.000	0.000	0.000	0.000
762	A	762	PRO	0	0.015	0.011	82.981	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	763	SER	0	-0.057	-0.039	84.739	0.000	0.000	0.000	0.000	0.000	0.000
764	A	764	ARG	1	0.763	0.842	88.224	0.002	0.002	0.000	0.000	0.000	0.000
765	A	765	THR	0	0.022	0.007	88.981	0.000	0.000	0.000	0.000	0.000	0.000
766	A	766	LEU	0	-0.015	0.009	86.741	0.000	0.000	0.000	0.000	0.000	0.000
767	A	767	ASN	0	-0.016	-0.002	91.145	0.000	0.000	0.000	0.000	0.000	0.000
768	A	768	ASP	-1	-0.718	-0.859	93.200	-0.002	-0.002	0.000	0.000	0.000	0.000
769	A	769	ASP	-1	-0.906	-0.943	94.314	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	770	GLU	-1	-0.732	-0.836	91.534	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	771	VAL	0	0.024	0.031	88.822	0.000	0.000	0.000	0.000	0.000	0.000
772	A	772	ASN	0	0.002	0.013	90.371	0.000	0.000	0.000	0.000	0.000	0.000
773	A	773	SER	0	-0.037	-0.008	92.896	0.001	0.001	0.000	0.000	0.000	0.000
774	A	774	THR	0	-0.012	-0.017	87.078	0.001	0.001	0.000	0.000	0.000	0.000
775	A	775	THR	0	-0.027	-0.029	87.986	0.000	0.000	0.000	0.000	0.000	0.000
776	A	776	GLN	0	0.020	0.016	88.923	0.000	0.000	0.000	0.000	0.000	0.000
777	A	777	ASN	0	-0.020	0.005	88.450	0.000	0.000	0.000	0.000	0.000	0.000
778	A	778	ILE	0	0.022	0.016	84.129	0.001	0.001	0.000	0.000	0.000	0.000
779	A	779	VAL	0	-0.017	-0.013	86.434	0.001	0.001	0.000	0.000	0.000	0.000
780	A	780	THR	0	-0.004	-0.019	88.358	0.000	0.000	0.000	0.000	0.000	0.000
781	A	781	SER	0	0.005	0.010	84.881	0.001	0.001	0.000	0.000	0.000	0.000
782	A	782	LEU	0	-0.026	-0.025	81.946	0.001	0.001	0.000	0.000	0.000	0.000
783	A	783	GLU	-1	-0.959	-0.978	85.474	0.006	0.006	0.000	0.000	0.000	0.000
784	A	784	GLU	-1	-0.905	-0.947	87.374	0.009	0.009	0.000	0.000	0.000	0.000
785	A	785	ARG	1	0.819	0.914	82.564	-0.009	-0.009	0.000	0.000	0.000	0.000
786	A	786	PHE	0	-0.024	-0.021	78.932	0.001	0.001	0.000	0.000	0.000	0.000
787	A	787	ASN	0	-0.036	0.005	83.650	0.000	0.000	0.000	0.000	0.000	0.000
788	A	788	ALA	0	0.013	0.019	84.707	0.000	0.000	0.000	0.000	0.000	0.000
789	A	789	THR	0	0.012	0.000	86.361	0.000	0.000	0.000	0.000	0.000	0.000
790	A	790	LEU	0	0.029	0.028	87.264	0.000	0.000	0.000	0.000	0.000	0.000
791	A	791	ARG	1	0.893	0.961	83.002	-0.002	-0.002	0.000	0.000	0.000	0.000

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