FMO DATABASE

FMODB ID: GN9Z1

Calculation Name: 4CMR-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4CMR

Chain ID: A

ChEMBL ID:

UniProt ID: I3RE04

Base Structure: X-ray

Registration Date: 2023-06-20

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	OptH
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	596
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15158608.807393
FMO2-HF: Nuclear repulsion	14912565.309072
FMO2-HF: Total energy	-246043.498321
FMO2-MP2: Total energy	-246763.244025

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.
-30.212	-16.9	21.044	-13.567	-20.785	-0.099

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 : -0.074 / q_NPA : -0.034

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	MET	0	-0.063	-0.012	2.321	-0.757	3.184	3.440	-2.441	-4.940	0.004
4	A	4	LYS	1	0.843	0.936	3.625	3.376	3.735	0.014	-0.112	-0.261	-0.001
5	A	5	PHE	0	0.033	0.002	6.288	0.554	0.554	0.000	0.000	0.000	0.000
6	A	6	THR	0	-0.005	-0.012	8.582	-0.081	-0.081	0.000	0.000	0.000	0.000
7	A	7	TYR	0	0.015	-0.018	12.252	0.111	0.111	0.000	0.000	0.000	0.000
8	A	8	HIS	1	0.783	0.867	15.510	0.116	0.116	0.000	0.000	0.000	0.000
9	A	9	PHE	0	0.019	-0.003	18.792	0.035	0.035	0.000	0.000	0.000	0.000
10	A	10	HIS	1	0.824	0.895	22.103	0.042	0.042	0.000	0.000	0.000	0.000
11	A	11	ALA	0	0.032	0.029	25.601	0.018	0.018	0.000	0.000	0.000	0.000
12	A	12	TYR	0	-0.039	-0.064	28.578	-0.012	-0.012	0.000	0.000	0.000	0.000
13	A	13	GLN	0	0.012	0.007	32.103	0.013	0.013	0.000	0.000	0.000	0.000
14	A	14	PRO	0	-0.025	-0.002	35.382	-0.005	-0.005	0.000	0.000	0.000	0.000
15	A	15	GLY	0	0.056	0.026	38.351	-0.003	-0.003	0.000	0.000	0.000	0.000
16	A	16	ASP	-1	-0.828	-0.911	40.656	0.008	0.008	0.000	0.000	0.000	0.000
17	A	17	ILE	0	-0.016	0.001	43.753	0.002	0.002	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.038	-0.022	46.471	0.001	0.001	0.000	0.000	0.000	0.000
19	A	19	TYR	0	-0.079	-0.086	49.440	0.001	0.001	0.000	0.000	0.000	0.000
20	A	20	VAL	0	0.007	0.010	49.245	0.000	0.000	0.000	0.000	0.000	0.000
21	A	21	HIS	0	-0.028	-0.028	51.830	0.000	0.000	0.000	0.000	0.000	0.000
22	A	22	ASP	-1	-0.746	-0.855	54.425	-0.020	-0.020	0.000	0.000	0.000	0.000
23	A	23	GLY	0	-0.025	-0.026	55.309	0.000	0.000	0.000	0.000	0.000	0.000
24	A	24	SER	0	0.013	0.009	56.348	-0.001	-0.001	0.000	0.000	0.000	0.000
25	A	25	GLY	0	0.024	0.008	53.117	-0.001	-0.001	0.000	0.000	0.000	0.000
26	A	26	TRP	0	0.048	0.026	52.777	-0.003	-0.003	0.000	0.000	0.000	0.000
27	A	27	ASP	-1	-0.877	-0.911	51.133	-0.039	-0.039	0.000	0.000	0.000	0.000
28	A	28	PRO	0	-0.012	-0.004	46.431	0.001	0.001	0.000	0.000	0.000	0.000
29	A	29	ILE	0	-0.040	-0.007	46.194	0.003	0.003	0.000	0.000	0.000	0.000
30	A	30	LYS	1	0.966	0.979	48.473	0.025	0.025	0.000	0.000	0.000	0.000
31	A	31	TYR	0	0.056	0.026	43.931	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	32	SER	0	0.011	0.031	50.351	0.000	0.000	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.816	-0.884	44.910	-0.010	-0.010	0.000	0.000	0.000	0.000
34	A	34	ARG	1	0.854	0.917	44.868	-0.008	-0.008	0.000	0.000	0.000	0.000
35	A	35	LEU	0	-0.088	-0.033	47.217	0.000	0.000	0.000	0.000	0.000	0.000
36	A	36	SER	0	0.008	-0.022	44.202	0.000	0.000	0.000	0.000	0.000	0.000
37	A	37	PRO	0	-0.032	-0.001	44.312	0.000	0.000	0.000	0.000	0.000	0.000
38	A	38	VAL	0	0.040	0.033	38.988	0.003	0.003	0.000	0.000	0.000	0.000
39	A	39	ALA	0	-0.040	-0.018	39.136	-0.004	-0.004	0.000	0.000	0.000	0.000
40	A	40	LEU	0	0.011	0.003	33.460	0.003	0.003	0.000	0.000	0.000	0.000
41	A	41	GLU	-1	-0.920	-0.953	32.836	0.100	0.100	0.000	0.000	0.000	0.000
42	A	42	ILE	0	-0.016	-0.014	28.934	0.006	0.006	0.000	0.000	0.000	0.000
43	A	43	ARG	1	0.832	0.905	24.585	-0.120	-0.120	0.000	0.000	0.000	0.000
44	A	44	GLU	-1	-0.900	-0.953	30.048	0.124	0.124	0.000	0.000	0.000	0.000
45	A	45	GLU	-1	-0.914	-0.891	33.319	0.050	0.050	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.861	-0.944	34.780	0.057	0.057	0.000	0.000	0.000	0.000
47	A	47	VAL	0	-0.005	0.013	34.414	-0.007	-0.007	0.000	0.000	0.000	0.000
48	A	48	LYS	1	0.938	0.963	37.449	-0.039	-0.039	0.000	0.000	0.000	0.000
49	A	49	GLY	0	0.013	-0.004	40.691	-0.005	-0.005	0.000	0.000	0.000	0.000
50	A	50	ARG	1	0.940	0.955	41.999	-0.005	-0.005	0.000	0.000	0.000	0.000
51	A	51	ASN	0	0.006	0.010	42.591	0.000	0.000	0.000	0.000	0.000	0.000
52	A	52	TRP	0	0.102	0.046	33.630	0.002	0.002	0.000	0.000	0.000	0.000
53	A	53	THR	0	-0.015	-0.035	37.976	0.000	0.000	0.000	0.000	0.000	0.000
54	A	54	ARG	1	0.782	0.862	37.852	0.005	0.005	0.000	0.000	0.000	0.000
55	A	55	ALA	0	0.011	0.009	37.733	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	56	MET	0	0.026	0.013	32.290	0.004	0.004	0.000	0.000	0.000	0.000
57	A	57	ILE	0	-0.042	-0.017	33.624	-0.002	-0.002	0.000	0.000	0.000	0.000
58	A	58	LYS	1	0.849	0.913	34.564	-0.019	-0.019	0.000	0.000	0.000	0.000
59	A	59	ALA	0	0.039	0.025	31.570	0.000	0.000	0.000	0.000	0.000	0.000
60	A	60	TYR	0	-0.040	-0.061	29.630	0.001	0.001	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.825	-0.883	29.517	-0.015	-0.015	0.000	0.000	0.000	0.000
62	A	62	TYR	0	-0.030	-0.067	29.065	-0.005	-0.005	0.000	0.000	0.000	0.000
63	A	63	VAL	0	-0.040	-0.023	24.662	0.005	0.005	0.000	0.000	0.000	0.000
64	A	64	ASP	-1	-0.783	-0.869	24.944	-0.069	-0.069	0.000	0.000	0.000	0.000
65	A	65	GLU	-1	-0.927	-0.963	25.407	0.032	0.032	0.000	0.000	0.000	0.000
66	A	66	THR	0	-0.019	-0.018	21.457	0.011	0.011	0.000	0.000	0.000	0.000
67	A	67	LEU	0	-0.033	-0.026	20.539	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	68	ARG	1	0.839	0.908	20.800	0.051	0.051	0.000	0.000	0.000	0.000
69	A	69	MET	0	-0.075	-0.020	21.071	-0.018	-0.018	0.000	0.000	0.000	0.000
70	A	70	LEU	0	-0.084	-0.032	15.625	0.033	0.033	0.000	0.000	0.000	0.000
71	A	71	ASP	-1	-0.846	-0.922	13.415	-0.307	-0.307	0.000	0.000	0.000	0.000
72	A	72	GLU	-1	-0.922	-0.959	16.437	-0.324	-0.324	0.000	0.000	0.000	0.000
73	A	73	GLY	0	-0.021	-0.002	16.231	-0.076	-0.076	0.000	0.000	0.000	0.000
74	A	74	ALA	0	0.023	0.027	13.738	-0.075	-0.075	0.000	0.000	0.000	0.000
75	A	75	VAL	0	0.005	0.001	14.055	-0.013	-0.013	0.000	0.000	0.000	0.000
76	A	76	SER	0	0.014	0.029	16.680	-0.013	-0.013	0.000	0.000	0.000	0.000
77	A	77	VAL	0	0.003	-0.003	19.729	0.037	0.037	0.000	0.000	0.000	0.000
78	A	78	ASP	-1	-0.767	-0.835	23.109	-0.114	-0.114	0.000	0.000	0.000	0.000
79	A	79	PHE	0	0.070	0.031	26.374	0.018	0.018	0.000	0.000	0.000	0.000
80	A	80	GLU	-1	-0.791	-0.850	29.656	-0.061	-0.061	0.000	0.000	0.000	0.000
81	A	81	PRO	0	0.013	0.007	32.507	0.006	0.006	0.000	0.000	0.000	0.000
82	A	82	PHE	0	0.023	-0.006	35.324	0.003	0.003	0.000	0.000	0.000	0.000
83	A	83	THR	0	0.007	-0.014	33.074	0.007	0.007	0.000	0.000	0.000	0.000
84	A	84	LEU	0	0.035	0.026	32.000	0.006	0.006	0.000	0.000	0.000	0.000
85	A	85	TYR	0	0.020	0.018	34.970	0.003	0.003	0.000	0.000	0.000	0.000
86	A	86	MET	0	-0.059	-0.033	38.191	0.006	0.006	0.000	0.000	0.000	0.000
87	A	87	VAL	0	-0.037	-0.013	34.094	0.006	0.006	0.000	0.000	0.000	0.000
88	A	88	LEU	0	-0.003	0.011	37.440	0.004	0.004	0.000	0.000	0.000	0.000
89	A	89	LYS	1	0.919	0.961	39.214	0.035	0.035	0.000	0.000	0.000	0.000
90	A	90	TYR	0	-0.109	-0.039	39.715	0.006	0.006	0.000	0.000	0.000	0.000
91	A	91	LYS	1	0.859	0.912	38.087	0.010	0.010	0.000	0.000	0.000	0.000
92	A	92	PRO	0	0.142	0.076	38.035	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	93	LYS	1	0.875	0.943	35.899	0.012	0.012	0.000	0.000	0.000	0.000
94	A	94	ILE	0	-0.010	-0.005	32.999	-0.003	-0.003	0.000	0.000	0.000	0.000
95	A	95	TYR	0	-0.006	-0.024	33.230	-0.004	-0.004	0.000	0.000	0.000	0.000
96	A	96	GLY	0	0.047	0.027	33.454	-0.008	-0.008	0.000	0.000	0.000	0.000
97	A	97	GLH	0	-0.055	-0.046	30.780	-0.007	-0.007	0.000	0.000	0.000	0.000
98	A	98	ILE	0	0.018	0.015	28.710	-0.008	-0.008	0.000	0.000	0.000	0.000
99	A	99	VAL	0	-0.028	-0.024	28.716	-0.014	-0.014	0.000	0.000	0.000	0.000
100	A	100	GLU	-1	-0.855	-0.915	29.815	-0.096	-0.096	0.000	0.000	0.000	0.000
101	A	101	THR	0	-0.051	-0.053	24.084	-0.022	-0.022	0.000	0.000	0.000	0.000
102	A	102	LEU	0	-0.084	-0.044	24.878	-0.023	-0.023	0.000	0.000	0.000	0.000
103	A	103	GLU	-1	-0.952	-0.981	26.109	-0.149	-0.149	0.000	0.000	0.000	0.000
104	A	104	THR	0	-0.103	-0.057	25.281	-0.020	-0.020	0.000	0.000	0.000	0.000
105	A	105	HIS	0	0.029	0.041	20.137	-0.039	-0.039	0.000	0.000	0.000	0.000
106	A	106	VAL	0	-0.046	-0.023	20.030	-0.024	-0.024	0.000	0.000	0.000	0.000
107	A	107	GLU	-1	-0.930	-0.967	19.624	-0.340	-0.340	0.000	0.000	0.000	0.000
108	A	108	PRO	0	-0.016	0.001	21.396	0.023	0.023	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.079	-0.052	22.787	-0.015	-0.015	0.000	0.000	0.000	0.000
110	A	110	VAL	0	-0.004	0.007	25.207	0.020	0.020	0.000	0.000	0.000	0.000
111	A	111	THR	0	-0.044	-0.041	28.145	0.002	0.002	0.000	0.000	0.000	0.000
112	A	112	VAL	0	-0.004	-0.003	30.452	0.001	0.001	0.000	0.000	0.000	0.000
113	A	113	PRO	0	0.014	0.004	33.972	0.007	0.007	0.000	0.000	0.000	0.000
114	A	114	PHE	0	0.008	-0.014	36.794	0.002	0.002	0.000	0.000	0.000	0.000
115	A	115	HIS	0	-0.018	0.011	31.312	0.002	0.002	0.000	0.000	0.000	0.000
116	A	116	PRO	0	0.055	0.046	35.226	0.007	0.007	0.000	0.000	0.000	0.000
117	A	117	ILE	0	0.025	-0.008	33.249	-0.004	-0.004	0.000	0.000	0.000	0.000
118	A	118	MET	0	0.004	0.025	33.935	0.004	0.004	0.000	0.000	0.000	0.000
119	A	119	PRO	0	-0.011	-0.003	33.505	0.003	0.003	0.000	0.000	0.000	0.000
120	A	120	HIS	0	-0.068	-0.046	36.607	0.006	0.006	0.000	0.000	0.000	0.000
121	A	121	LEU	0	0.042	0.033	39.076	0.005	0.005	0.000	0.000	0.000	0.000
122	A	122	SER	0	-0.034	-0.026	41.172	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	123	HIS	1	0.882	0.915	40.367	0.075	0.075	0.000	0.000	0.000	0.000
124	A	124	PHE	0	0.074	0.049	42.249	-0.004	-0.004	0.000	0.000	0.000	0.000
125	A	125	GLU	-1	-0.646	-0.804	42.670	-0.056	-0.056	0.000	0.000	0.000	0.000
126	A	126	GLN	0	-0.003	0.014	37.116	-0.009	-0.009	0.000	0.000	0.000	0.000
127	A	127	GLU	-1	-0.833	-0.905	38.856	-0.092	-0.092	0.000	0.000	0.000	0.000
128	A	128	ILE	0	0.018	0.010	40.423	-0.005	-0.005	0.000	0.000	0.000	0.000
129	A	129	LEU	0	-0.010	-0.012	37.894	-0.003	-0.003	0.000	0.000	0.000	0.000
130	A	130	SER	0	0.000	0.002	35.789	-0.007	-0.007	0.000	0.000	0.000	0.000
131	A	131	LYS	1	0.950	0.974	36.058	0.103	0.103	0.000	0.000	0.000	0.000
132	A	132	VAL	0	0.009	0.013	38.092	-0.004	-0.004	0.000	0.000	0.000	0.000
133	A	133	SER	0	-0.051	-0.034	33.186	0.000	0.000	0.000	0.000	0.000	0.000
134	A	134	PHE	0	-0.008	-0.027	30.210	-0.006	-0.006	0.000	0.000	0.000	0.000
135	A	135	ASP	-1	-0.823	-0.878	34.410	-0.105	-0.105	0.000	0.000	0.000	0.000
136	A	136	PHE	0	0.032	0.018	34.086	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	137	TYR	0	0.007	-0.039	28.686	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	138	LEU	0	-0.002	0.019	32.098	-0.014	-0.014	0.000	0.000	0.000	0.000
139	A	139	PRO	0	0.016	0.003	33.472	-0.012	-0.012	0.000	0.000	0.000	0.000
140	A	140	PHE	0	0.043	0.033	28.521	-0.006	-0.006	0.000	0.000	0.000	0.000
141	A	141	ILE	0	-0.019	-0.021	27.773	-0.024	-0.024	0.000	0.000	0.000	0.000
142	A	142	ALA	0	0.018	0.022	29.671	-0.011	-0.011	0.000	0.000	0.000	0.000
143	A	143	ARG	1	0.939	0.953	29.059	0.238	0.238	0.000	0.000	0.000	0.000
144	A	144	LYS	1	0.877	0.956	24.370	0.245	0.245	0.000	0.000	0.000	0.000
145	A	145	PRO	0	0.020	0.014	25.533	0.018	0.018	0.000	0.000	0.000	0.000
146	A	146	ILE	0	0.023	0.015	22.157	0.006	0.006	0.000	0.000	0.000	0.000
147	A	147	VAL	0	0.028	0.020	24.574	-0.004	-0.004	0.000	0.000	0.000	0.000
148	A	148	SER	0	0.017	0.026	21.649	0.007	0.007	0.000	0.000	0.000	0.000
149	A	149	PHE	0	0.021	-0.010	23.795	0.020	0.020	0.000	0.000	0.000	0.000
150	A	150	TRP	0	0.022	0.015	22.047	-0.012	-0.012	0.000	0.000	0.000	0.000
151	A	151	LEU	0	0.011	0.011	26.866	0.010	0.010	0.000	0.000	0.000	0.000
152	A	152	PRO	0	0.061	0.030	28.292	0.003	0.003	0.000	0.000	0.000	0.000
153	A	153	GLU	-1	-0.815	-0.896	28.181	-0.021	-0.021	0.000	0.000	0.000	0.000
154	A	154	ASN	0	-0.017	-0.014	23.560	0.004	0.004	0.000	0.000	0.000	0.000
155	A	155	VAL	0	-0.020	0.000	27.143	-0.005	-0.005	0.000	0.000	0.000	0.000
156	A	156	ILE	0	-0.001	0.010	27.334	-0.004	-0.004	0.000	0.000	0.000	0.000
157	A	157	THR	0	0.010	-0.004	30.518	0.006	0.006	0.000	0.000	0.000	0.000
158	A	158	LYS	1	0.964	0.987	32.167	0.126	0.126	0.000	0.000	0.000	0.000
159	A	159	ASP	-1	-0.879	-0.928	33.102	-0.094	-0.094	0.000	0.000	0.000	0.000
160	A	160	THR	0	-0.011	-0.031	32.747	0.000	0.000	0.000	0.000	0.000	0.000
161	A	161	ALA	0	0.023	0.009	30.308	-0.004	-0.004	0.000	0.000	0.000	0.000
162	A	162	LYS	1	0.924	0.978	32.051	0.104	0.104	0.000	0.000	0.000	0.000
163	A	163	ILE	0	-0.028	-0.002	34.844	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	164	VAL	0	0.002	0.005	30.894	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	165	THR	0	-0.005	-0.024	30.168	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	166	SER	0	-0.056	-0.039	32.853	-0.006	-0.006	0.000	0.000	0.000	0.000
167	A	167	ALA	0	-0.032	0.000	35.584	0.004	0.004	0.000	0.000	0.000	0.000
168	A	168	THR	0	-0.034	-0.012	31.266	0.002	0.002	0.000	0.000	0.000	0.000
169	A	169	ASP	-1	-0.909	-0.958	34.242	-0.157	-0.157	0.000	0.000	0.000	0.000
170	A	170	LYS	1	0.775	0.897	28.867	0.197	0.197	0.000	0.000	0.000	0.000
171	A	171	ASP	-1	-0.886	-0.927	26.007	-0.281	-0.281	0.000	0.000	0.000	0.000
172	A	172	VAL	0	-0.011	-0.019	26.568	-0.004	-0.004	0.000	0.000	0.000	0.000
173	A	173	VAL	0	-0.017	-0.008	20.028	-0.015	-0.015	0.000	0.000	0.000	0.000
174	A	174	PHE	0	-0.010	-0.020	23.419	0.020	0.020	0.000	0.000	0.000	0.000
175	A	175	LEU	0	-0.025	-0.005	19.421	-0.022	-0.022	0.000	0.000	0.000	0.000
176	A	176	LEU	0	-0.014	-0.010	20.653	0.026	0.026	0.000	0.000	0.000	0.000
177	A	177	ASP	-1	-0.720	-0.841	19.799	-0.033	-0.033	0.000	0.000	0.000	0.000
178	A	178	GLU	-1	-0.732	-0.856	15.096	-0.101	-0.101	0.000	0.000	0.000	0.000
179	A	179	ARG	1	0.768	0.881	19.023	-0.004	-0.004	0.000	0.000	0.000	0.000
180	A	180	GLN	0	-0.008	-0.018	21.844	0.004	0.004	0.000	0.000	0.000	0.000
181	A	181	PHE	0	0.011	0.021	17.711	-0.005	-0.005	0.000	0.000	0.000	0.000
182	A	182	ILE	0	0.002	-0.020	23.007	0.021	0.021	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.025	-0.019	25.135	-0.014	-0.014	0.000	0.000	0.000	0.000
184	A	184	VAL	0	0.001	0.010	20.766	-0.010	-0.010	0.000	0.000	0.000	0.000
185	A	185	ASN	0	-0.023	-0.011	18.627	0.008	0.008	0.000	0.000	0.000	0.000
186	A	186	ILE	0	0.049	0.009	15.515	-0.025	-0.025	0.000	0.000	0.000	0.000
187	A	187	PRO	0	0.010	-0.016	14.050	-0.037	-0.037	0.000	0.000	0.000	0.000
188	A	188	GLN	0	0.005	0.022	14.345	-0.030	-0.030	0.000	0.000	0.000	0.000
189	A	189	ALA	0	0.012	0.006	16.392	-0.041	-0.041	0.000	0.000	0.000	0.000
190	A	190	ARG	1	0.790	0.866	11.336	0.043	0.043	0.000	0.000	0.000	0.000
191	A	191	PHE	0	0.006	0.005	8.356	-0.033	-0.033	0.000	0.000	0.000	0.000
192	A	192	SER	0	0.031	0.036	11.421	-0.205	-0.205	0.000	0.000	0.000	0.000
193	A	193	CYS	0	-0.063	-0.012	13.649	0.058	0.058	0.000	0.000	0.000	0.000
194	A	194	ASN	0	-0.003	-0.001	16.380	0.026	0.026	0.000	0.000	0.000	0.000
195	A	195	LYS	1	0.888	0.948	19.351	0.323	0.323	0.000	0.000	0.000	0.000
196	A	196	TYR	0	0.021	0.010	22.990	0.019	0.019	0.000	0.000	0.000	0.000
197	A	197	LEU	0	-0.024	-0.009	25.893	0.000	0.000	0.000	0.000	0.000	0.000
198	A	198	CYS	0	-0.015	0.017	29.580	0.011	0.011	0.000	0.000	0.000	0.000
199	A	199	ASP	-1	-0.882	-0.956	31.925	-0.122	-0.122	0.000	0.000	0.000	0.000
200	A	200	GLY	0	-0.041	-0.047	33.794	-0.007	-0.007	0.000	0.000	0.000	0.000
201	A	201	LYS	1	0.952	0.985	31.789	0.167	0.167	0.000	0.000	0.000	0.000
202	A	202	SER	0	-0.044	-0.043	27.553	0.005	0.005	0.000	0.000	0.000	0.000
203	A	203	ALA	0	0.017	0.023	26.099	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	204	PHE	0	0.040	-0.003	20.467	-0.009	-0.009	0.000	0.000	0.000	0.000
205	A	205	VAL	0	-0.043	-0.016	20.543	0.036	0.036	0.000	0.000	0.000	0.000
206	A	206	PHE	0	0.052	0.020	14.003	-0.036	-0.036	0.000	0.000	0.000	0.000
207	A	207	GLY	0	-0.017	-0.008	16.773	0.038	0.038	0.000	0.000	0.000	0.000
208	A	208	ARG	1	0.777	0.888	15.813	-0.015	-0.015	0.000	0.000	0.000	0.000
209	A	209	ILE	0	0.055	0.028	11.088	0.006	0.006	0.000	0.000	0.000	0.000
210	A	210	HIS	0	-0.009	-0.015	15.339	0.041	0.041	0.000	0.000	0.000	0.000
211	A	211	TYR	0	0.042	0.031	12.719	-0.006	-0.006	0.000	0.000	0.000	0.000
212	A	212	ILE	0	0.022	0.008	10.486	0.029	0.029	0.000	0.000	0.000	0.000
213	A	213	SER	0	0.016	-0.001	14.748	0.015	0.015	0.000	0.000	0.000	0.000
214	A	214	ASP	-1	-0.889	-0.958	16.993	0.096	0.096	0.000	0.000	0.000	0.000
215	A	215	ALA	0	-0.022	0.005	16.260	0.004	0.004	0.000	0.000	0.000	0.000
216	A	216	PHE	0	-0.004	-0.005	16.615	0.025	0.025	0.000	0.000	0.000	0.000
217	A	217	ALA	0	-0.014	-0.011	18.378	-0.012	-0.012	0.000	0.000	0.000	0.000
218	A	218	PHE	0	-0.032	-0.025	21.654	-0.015	-0.015	0.000	0.000	0.000	0.000
219	A	219	ASN	0	-0.062	-0.028	21.364	0.027	0.027	0.000	0.000	0.000	0.000
220	A	220	THR	0	-0.008	-0.003	20.578	0.008	0.008	0.000	0.000	0.000	0.000
221	A	221	LEU	0	-0.009	0.009	14.627	0.021	0.021	0.000	0.000	0.000	0.000
222	A	222	ASP	-1	-0.848	-0.912	17.121	0.565	0.565	0.000	0.000	0.000	0.000
223	A	223	VAL	0	0.060	0.012	14.243	0.040	0.040	0.000	0.000	0.000	0.000
224	A	224	GLU	-1	-0.905	-0.941	11.492	1.569	1.569	0.000	0.000	0.000	0.000
225	A	225	GLY	0	0.030	0.012	12.256	0.169	0.169	0.000	0.000	0.000	0.000
226	A	226	LEU	0	-0.036	-0.018	12.134	0.036	0.036	0.000	0.000	0.000	0.000
227	A	227	THR	0	0.021	-0.006	7.989	0.061	0.061	0.000	0.000	0.000	0.000
228	A	228	ARG	1	0.856	0.938	7.715	-0.617	-0.617	0.000	0.000	0.000	0.000
229	A	229	ALA	0	-0.025	-0.018	7.677	0.010	0.010	0.000	0.000	0.000	0.000
230	A	230	VAL	0	0.010	0.003	6.007	-0.230	-0.230	0.000	0.000	0.000	0.000
231	A	231	ALA	0	0.041	0.009	3.439	-0.925	-0.278	0.125	-0.189	-0.582	0.001
232	A	232	GLU	-1	-0.896	-0.947	2.569	-1.464	-0.063	0.837	-0.909	-1.329	-0.015
233	A	233	GLY	0	-0.036	-0.017	5.220	-0.479	-0.476	-0.001	0.000	-0.001	0.000
234	A	234	CYS	0	-0.082	-0.031	5.774	-0.151	-0.151	0.000	0.000	0.000	0.000
235	A	235	VAL	0	-0.016	0.004	2.653	-1.003	-0.499	0.803	-0.226	-1.081	0.000
236	A	236	ASP	-1	-0.823	-0.914	4.138	-0.498	-0.379	0.001	-0.022	-0.098	0.000
237	A	237	VAL	0	-0.020	-0.034	6.282	-0.208	-0.208	0.000	0.000	0.000	0.000
238	A	238	PHE	0	0.013	-0.002	7.231	0.029	0.029	0.000	0.000	0.000	0.000
239	A	239	LYS	1	0.963	0.998	7.611	0.990	0.990	0.000	0.000	0.000	0.000
240	A	240	GLU	-1	-0.777	-0.858	2.757	-11.010	-6.570	1.452	-2.780	-3.112	-0.031
241	A	241	LYS	1	0.814	0.919	5.903	-0.065	-0.065	0.000	0.000	0.000	0.000
242	A	242	GLU	-1	-0.933	-0.971	8.845	-0.672	-0.672	0.000	0.000	0.000	0.000
243	A	243	GLY	0	0.029	0.019	7.176	0.125	0.125	0.000	0.000	0.000	0.000
244	A	244	ILE	0	-0.084	-0.044	8.254	0.074	0.074	0.000	0.000	0.000	0.000
245	A	245	GLU	-1	-0.789	-0.902	7.136	-2.636	-2.636	0.000	0.000	0.000	0.000
246	A	246	TYR	0	-0.113	-0.089	2.961	0.240	1.057	0.066	-0.278	-0.605	-0.001
247	A	247	LEU	0	0.010	0.008	7.493	-0.276	-0.276	0.000	0.000	0.000	0.000
248	A	248	VAL	0	-0.018	-0.008	6.629	0.177	0.177	0.000	0.000	0.000	0.000
249	A	249	PHE	0	0.023	0.004	9.459	0.052	0.052	0.000	0.000	0.000	0.000
250	A	250	LEU	0	-0.034	-0.013	11.883	0.065	0.065	0.000	0.000	0.000	0.000
251	A	251	SER	0	0.043	0.015	15.024	-0.033	-0.033	0.000	0.000	0.000	0.000
252	A	252	SER	0	-0.003	0.014	18.744	0.040	0.040	0.000	0.000	0.000	0.000
253	A	253	ASP	-1	-0.804	-0.901	21.541	-0.018	-0.018	0.000	0.000	0.000	0.000
254	A	254	LEU	0	-0.012	-0.012	23.608	0.018	0.018	0.000	0.000	0.000	0.000
255	A	255	GLU	-1	-0.727	-0.854	25.174	0.007	0.007	0.000	0.000	0.000	0.000
256	A	256	SER	0	-0.060	-0.023	22.847	0.021	0.021	0.000	0.000	0.000	0.000
257	A	257	LEU	0	-0.008	-0.015	20.792	0.028	0.028	0.000	0.000	0.000	0.000
258	A	258	VAL	0	-0.013	-0.014	24.497	0.007	0.007	0.000	0.000	0.000	0.000
259	A	259	ALA	0	-0.015	0.004	26.082	-0.002	-0.002	0.000	0.000	0.000	0.000
260	A	260	ASN	0	-0.041	-0.024	24.563	0.010	0.010	0.000	0.000	0.000	0.000
261	A	261	PRO	0	0.054	0.035	27.382	0.004	0.004	0.000	0.000	0.000	0.000
262	A	262	LYS	1	0.998	0.981	24.316	-0.220	-0.220	0.000	0.000	0.000	0.000
263	A	263	GLN	0	-0.039	0.005	22.121	0.054	0.054	0.000	0.000	0.000	0.000
264	A	264	LEU	0	0.055	0.027	21.426	0.019	0.019	0.000	0.000	0.000	0.000
265	A	265	ASP	-1	-0.799	-0.896	21.054	0.182	0.182	0.000	0.000	0.000	0.000
266	A	266	ARG	1	0.743	0.873	18.941	-0.273	-0.273	0.000	0.000	0.000	0.000
267	A	267	PHE	0	0.010	0.004	15.905	0.071	0.071	0.000	0.000	0.000	0.000
268	A	268	LEU	0	0.038	0.020	15.971	0.039	0.039	0.000	0.000	0.000	0.000
269	A	269	GLY	0	0.006	0.006	15.726	0.028	0.028	0.000	0.000	0.000	0.000
270	A	270	TRP	0	-0.018	-0.021	10.528	0.010	0.010	0.000	0.000	0.000	0.000
271	A	271	ILE	0	0.020	0.009	11.257	0.194	0.194	0.000	0.000	0.000	0.000
272	A	272	ASP	-1	-0.855	-0.912	10.801	0.512	0.512	0.000	0.000	0.000	0.000
273	A	273	GLY	0	0.009	0.001	10.522	0.070	0.070	0.000	0.000	0.000	0.000
274	A	274	LEU	0	-0.035	-0.023	6.747	0.622	0.622	0.000	0.000	0.000	0.000
275	A	275	LYS	1	0.929	0.958	6.137	0.453	0.453	0.000	0.000	0.000	0.000
276	A	276	LYS	1	0.801	0.891	6.655	-0.859	-0.859	0.000	0.000	0.000	0.000
277	A	277	ARG	1	0.822	0.928	3.870	-4.250	-3.644	0.054	-0.142	-0.518	0.000
278	A	278	GLY	0	0.004	0.007	2.531	-1.283	1.398	1.412	-1.602	-2.491	-0.016
279	A	279	ILE	0	-0.026	0.001	1.885	-11.869	-14.336	12.834	-4.819	-5.546	-0.040
280	A	280	GLU	-1	-0.863	-0.924	3.780	-1.687	-1.426	0.007	-0.047	-0.221	0.000
281	A	281	ILE	0	-0.027	-0.028	6.798	0.196	0.196	0.000	0.000	0.000	0.000
282	A	282	ILE	0	0.004	0.011	9.488	-0.009	-0.009	0.000	0.000	0.000	0.000
283	A	283	ASN	0	-0.016	-0.011	11.859	0.036	0.036	0.000	0.000	0.000	0.000
284	A	284	VAL	0	0.031	-0.008	14.844	-0.075	-0.075	0.000	0.000	0.000	0.000
285	A	285	ALA	0	0.022	0.022	16.078	-0.047	-0.047	0.000	0.000	0.000	0.000
286	A	286	GLU	-1	-0.792	-0.885	15.568	-0.618	-0.618	0.000	0.000	0.000	0.000
287	A	287	PHE	0	-0.031	-0.007	9.761	-0.050	-0.050	0.000	0.000	0.000	0.000
288	A	288	ILE	0	0.017	-0.008	14.047	-0.048	-0.048	0.000	0.000	0.000	0.000
289	A	289	ARG	1	0.847	0.918	17.146	0.679	0.679	0.000	0.000	0.000	0.000
290	A	290	LYS	1	0.930	0.969	12.494	1.243	1.243	0.000	0.000	0.000	0.000
291	A	291	LYS	1	0.802	0.911	11.680	1.247	1.247	0.000	0.000	0.000	0.000
292	A	292	VAL	0	-0.027	-0.015	16.071	0.046	0.046	0.000	0.000	0.000	0.000
293	A	293	SER	0	-0.109	-0.048	17.824	0.034	0.034	0.000	0.000	0.000	0.000
294	A	294	ASN	0	-0.063	-0.035	17.167	0.010	0.010	0.000	0.000	0.000	0.000
295	A	295	GLU	-1	-0.903	-0.939	13.328	-1.039	-1.039	0.000	0.000	0.000	0.000
296	A	296	TYR	0	-0.028	-0.024	9.900	-0.210	-0.210	0.000	0.000	0.000	0.000
297	A	297	LYS	1	0.886	0.944	11.661	1.200	1.200	0.000	0.000	0.000	0.000
298	A	298	SER	0	-0.005	-0.018	12.631	-0.166	-0.166	0.000	0.000	0.000	0.000
299	A	299	LEU	0	-0.001	0.003	13.651	0.062	0.062	0.000	0.000	0.000	0.000
300	A	300	PRO	0	0.016	-0.007	16.249	0.021	0.021	0.000	0.000	0.000	0.000
301	A	301	GLY	0	0.035	0.029	20.043	0.023	0.023	0.000	0.000	0.000	0.000
302	A	302	GLU	-1	-0.760	-0.843	13.959	-0.917	-0.917	0.000	0.000	0.000	0.000
303	A	304	SER	0	0.007	-0.029	19.860	0.049	0.049	0.000	0.000	0.000	0.000
304	A	305	GLU	-1	-0.783	-0.878	23.399	-0.265	-0.265	0.000	0.000	0.000	0.000
305	A	306	SER	0	-0.045	-0.021	23.922	0.014	0.014	0.000	0.000	0.000	0.000
306	A	307	PHE	0	-0.023	-0.003	16.651	0.004	0.004	0.000	0.000	0.000	0.000
307	A	308	ARG	1	0.844	0.915	21.666	0.221	0.221	0.000	0.000	0.000	0.000
308	A	309	ILE	0	-0.005	0.011	19.911	0.009	0.009	0.000	0.000	0.000	0.000
309	A	310	ASN	0	-0.055	-0.031	23.684	0.011	0.011	0.000	0.000	0.000	0.000
310	A	311	VAL	0	0.031	0.016	24.820	-0.004	-0.004	0.000	0.000	0.000	0.000
311	A	312	LYS	1	0.774	0.889	26.541	0.052	0.052	0.000	0.000	0.000	0.000
312	A	313	ASP	-1	-0.810	-0.895	29.051	-0.097	-0.097	0.000	0.000	0.000	0.000
313	A	314	TYR	0	-0.083	-0.060	32.050	0.008	0.008	0.000	0.000	0.000	0.000
314	A	315	SER	0	-0.034	-0.003	27.022	0.006	0.006	0.000	0.000	0.000	0.000
315	A	316	SER	0	-0.008	-0.026	27.345	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	317	TRP	0	0.024	0.021	21.845	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	318	SER	0	-0.007	-0.019	24.103	0.015	0.015	0.000	0.000	0.000	0.000
318	A	319	ASP	-1	-0.758	-0.883	26.723	-0.002	-0.002	0.000	0.000	0.000	0.000
319	A	320	TYR	0	-0.056	-0.037	28.069	0.008	0.008	0.000	0.000	0.000	0.000
320	A	321	PHE	0	0.002	-0.011	23.123	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	322	ASP	-1	-0.790	-0.861	27.798	0.042	0.042	0.000	0.000	0.000	0.000
322	A	323	LEU	0	-0.034	-0.016	29.612	0.000	0.000	0.000	0.000	0.000	0.000
323	A	324	SER	0	-0.028	-0.019	28.365	-0.007	-0.007	0.000	0.000	0.000	0.000
324	A	325	VAL	0	0.010	-0.005	30.426	0.006	0.006	0.000	0.000	0.000	0.000
325	A	326	ASP	-1	-0.790	-0.895	29.248	-0.039	-0.039	0.000	0.000	0.000	0.000
326	A	327	GLY	0	-0.035	0.001	25.655	-0.007	-0.007	0.000	0.000	0.000	0.000
327	A	328	ARG	1	0.868	0.946	24.280	0.068	0.068	0.000	0.000	0.000	0.000
328	A	329	THR	0	0.002	-0.005	24.803	0.010	0.010	0.000	0.000	0.000	0.000
329	A	330	SER	0	-0.033	-0.020	27.373	-0.012	-0.012	0.000	0.000	0.000	0.000
330	A	331	ASP	-1	-0.651	-0.810	30.573	-0.038	-0.038	0.000	0.000	0.000	0.000
331	A	332	MET	0	-0.013	0.001	31.898	0.004	0.004	0.000	0.000	0.000	0.000
332	A	333	ARG	1	0.815	0.916	29.327	-0.015	-0.015	0.000	0.000	0.000	0.000
333	A	334	TRP	0	-0.003	0.004	29.668	0.001	0.001	0.000	0.000	0.000	0.000
334	A	335	THR	0	-0.003	-0.002	36.626	0.001	0.001	0.000	0.000	0.000	0.000
335	A	336	GLY	0	0.011	0.008	38.206	0.001	0.001	0.000	0.000	0.000	0.000
336	A	337	ILE	0	-0.020	-0.017	39.072	0.003	0.003	0.000	0.000	0.000	0.000
337	A	338	ARG	1	0.794	0.873	34.705	-0.008	-0.008	0.000	0.000	0.000	0.000
338	A	339	ARG	1	0.832	0.873	35.185	0.042	0.042	0.000	0.000	0.000	0.000
339	A	340	GLU	-1	-0.909	-0.953	33.511	-0.029	-0.029	0.000	0.000	0.000	0.000
340	A	341	ASP	-1	-0.788	-0.884	37.164	-0.003	-0.003	0.000	0.000	0.000	0.000
341	A	342	ASN	0	-0.052	-0.013	40.016	0.001	0.001	0.000	0.000	0.000	0.000
342	A	343	VAL	0	-0.044	-0.010	40.144	0.002	0.002	0.000	0.000	0.000	0.000
343	A	344	VAL	0	0.030	0.013	40.872	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	345	ILE	0	0.004	0.008	36.471	0.004	0.004	0.000	0.000	0.000	0.000
345	A	346	HIS	1	0.830	0.899	39.750	-0.027	-0.027	0.000	0.000	0.000	0.000
346	A	347	ARG	1	0.780	0.864	32.463	-0.033	-0.033	0.000	0.000	0.000	0.000
347	A	348	TRP	0	-0.012	-0.003	37.143	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	349	TYR	0	0.029	0.011	38.307	0.000	0.000	0.000	0.000	0.000	0.000
349	A	350	LYS	1	0.865	0.930	40.481	-0.037	-0.037	0.000	0.000	0.000	0.000
350	A	351	GLU	-1	-0.892	-0.946	40.261	0.058	0.058	0.000	0.000	0.000	0.000
351	A	352	ARG	1	0.903	0.960	42.301	-0.031	-0.031	0.000	0.000	0.000	0.000
352	A	353	LYS	1	0.827	0.908	41.752	-0.035	-0.035	0.000	0.000	0.000	0.000
353	A	354	VAL	0	0.037	0.017	42.182	-0.002	-0.002	0.000	0.000	0.000	0.000
354	A	355	SER	0	-0.015	-0.025	42.274	0.000	0.000	0.000	0.000	0.000	0.000
355	A	356	GLN	0	-0.018	-0.030	38.817	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	357	LEU	0	0.044	0.021	42.130	-0.003	-0.003	0.000	0.000	0.000	0.000
357	A	358	TRP	0	-0.002	-0.008	40.923	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	359	LYS	1	0.824	0.938	36.877	-0.009	-0.009	0.000	0.000	0.000	0.000
359	A	360	PHE	0	0.032	0.021	42.694	-0.004	-0.004	0.000	0.000	0.000	0.000
360	A	361	ALA	0	0.011	0.011	44.060	-0.003	-0.003	0.000	0.000	0.000	0.000
361	A	362	PHE	0	0.020	0.011	43.135	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	363	MET	0	-0.024	-0.006	40.925	-0.004	-0.004	0.000	0.000	0.000	0.000
363	A	364	LYS	1	0.878	0.953	43.872	0.021	0.021	0.000	0.000	0.000	0.000
364	A	365	LEU	0	0.059	0.032	46.908	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	366	PHE	0	0.048	0.011	45.233	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	367	ARG	1	0.831	0.935	42.847	0.043	0.043	0.000	0.000	0.000	0.000
367	A	368	GLU	-1	-0.869	-0.931	46.977	-0.026	-0.026	0.000	0.000	0.000	0.000
368	A	369	LEU	0	0.041	0.028	49.512	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	370	ASN	0	0.011	-0.019	44.459	0.001	0.001	0.000	0.000	0.000	0.000
370	A	371	ARG	1	0.883	0.952	48.735	0.034	0.034	0.000	0.000	0.000	0.000
371	A	372	ALA	0	0.017	0.030	50.900	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	373	VAL	0	0.048	0.023	50.884	0.000	0.000	0.000	0.000	0.000	0.000
373	A	374	ARG	1	0.790	0.895	47.184	0.051	0.051	0.000	0.000	0.000	0.000
374	A	375	PHE	0	-0.044	-0.052	51.660	-0.002	-0.002	0.000	0.000	0.000	0.000
375	A	376	GLY	0	0.056	0.047	54.835	0.000	0.000	0.000	0.000	0.000	0.000
376	A	377	VAL	0	0.020	0.007	52.323	0.000	0.000	0.000	0.000	0.000	0.000
377	A	378	ILE	0	-0.048	-0.030	51.921	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	379	ASP	-1	-0.824	-0.882	55.857	-0.034	-0.034	0.000	0.000	0.000	0.000
379	A	380	MET	0	0.037	0.022	58.912	0.000	0.000	0.000	0.000	0.000	0.000
380	A	381	LEU	0	0.001	0.003	54.400	0.000	0.000	0.000	0.000	0.000	0.000
381	A	382	ARG	1	0.866	0.928	58.771	0.037	0.037	0.000	0.000	0.000	0.000
382	A	383	THR	0	-0.105	-0.053	60.896	0.000	0.000	0.000	0.000	0.000	0.000
383	A	384	GLN	0	0.012	0.009	60.794	0.000	0.000	0.000	0.000	0.000	0.000
384	A	385	GLY	0	-0.007	0.005	62.500	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	386	VAL	0	0.014	0.028	55.986	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	387	SER	0	-0.032	-0.036	58.791	0.000	0.000	0.000	0.000	0.000	0.000
387	A	388	ASP	-1	-0.863	-0.926	53.576	-0.065	-0.065	0.000	0.000	0.000	0.000
388	A	389	ILE	0	-0.006	-0.022	50.720	0.000	0.000	0.000	0.000	0.000	0.000
389	A	390	GLU	-1	-0.846	-0.940	47.585	-0.079	-0.079	0.000	0.000	0.000	0.000
390	A	391	LYS	1	0.959	1.003	49.412	0.068	0.068	0.000	0.000	0.000	0.000
391	A	392	ILE	0	0.025	0.017	51.076	0.000	0.000	0.000	0.000	0.000	0.000
392	A	393	LYS	1	0.756	0.872	45.877	0.076	0.076	0.000	0.000	0.000	0.000
393	A	394	GLU	-1	-0.931	-0.965	46.465	-0.081	-0.081	0.000	0.000	0.000	0.000
394	A	395	PHE	0	0.041	0.021	47.129	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	396	LEU	0	-0.015	-0.012	47.025	0.001	0.001	0.000	0.000	0.000	0.000
396	A	397	VAL	0	-0.026	-0.012	41.750	0.000	0.000	0.000	0.000	0.000	0.000
397	A	398	ARG	1	0.912	0.954	43.781	0.076	0.076	0.000	0.000	0.000	0.000
398	A	399	TYR	0	0.014	-0.002	45.902	0.001	0.001	0.000	0.000	0.000	0.000
399	A	400	SER	0	-0.032	0.001	41.760	0.003	0.003	0.000	0.000	0.000	0.000
400	A	401	ARG	1	0.816	0.880	41.106	0.091	0.091	0.000	0.000	0.000	0.000
401	A	402	VAL	0	0.024	0.027	44.749	0.002	0.002	0.000	0.000	0.000	0.000
402	A	403	PHE	0	-0.035	-0.032	42.647	0.003	0.003	0.000	0.000	0.000	0.000
403	A	404	PHE	0	-0.061	-0.044	39.730	0.003	0.003	0.000	0.000	0.000	0.000
404	A	405	ARG	1	0.902	0.945	42.265	0.042	0.042	0.000	0.000	0.000	0.000
405	A	406	GLU	-1	-0.894	-0.964	42.777	-0.047	-0.047	0.000	0.000	0.000	0.000
406	A	407	HIS	0	0.025	0.021	34.881	0.004	0.004	0.000	0.000	0.000	0.000
407	A	408	TYR	0	-0.030	-0.029	39.337	-0.006	-0.006	0.000	0.000	0.000	0.000
408	A	409	GLU	-1	-0.901	-0.964	41.175	-0.058	-0.058	0.000	0.000	0.000	0.000
409	A	410	TYR	0	-0.006	0.006	36.096	0.004	0.004	0.000	0.000	0.000	0.000
410	A	411	PHE	0	-0.043	-0.029	33.975	-0.003	-0.003	0.000	0.000	0.000	0.000
411	A	412	GLU	-1	-0.961	-0.966	39.271	-0.081	-0.081	0.000	0.000	0.000	0.000
412	A	413	LEU	0	-0.094	-0.045	38.366	-0.003	-0.003	0.000	0.000	0.000	0.000
413	A	414	ASP	-1	-0.846	-0.916	42.879	-0.065	-0.065	0.000	0.000	0.000	0.000
414	A	415	THR	0	-0.004	-0.010	44.925	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	416	SER	0	-0.048	-0.018	47.453	0.004	0.004	0.000	0.000	0.000	0.000
416	A	417	VAL	0	0.043	-0.004	51.104	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	418	ASP	-1	-0.889	-0.940	53.610	-0.053	-0.053	0.000	0.000	0.000	0.000
418	A	419	TYR	0	-0.024	0.003	44.426	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	420	VAL	0	-0.040	-0.031	48.237	-0.002	-0.002	0.000	0.000	0.000	0.000
420	A	421	MET	0	0.003	-0.005	50.343	0.000	0.000	0.000	0.000	0.000	0.000
421	A	422	GLU	-1	-0.955	-0.961	51.384	-0.071	-0.071	0.000	0.000	0.000	0.000
422	A	423	PRO	0	-0.035	-0.008	49.817	0.001	0.001	0.000	0.000	0.000	0.000
423	A	424	ILE	0	-0.055	-0.038	52.835	0.001	0.001	0.000	0.000	0.000	0.000
424	A	425	HIS	0	-0.044	-0.009	55.739	0.004	0.004	0.000	0.000	0.000	0.000
425	A	426	GLU	-1	-0.904	-0.954	57.920	-0.050	-0.050	0.000	0.000	0.000	0.000
426	A	427	ALA	0	-0.037	-0.018	58.265	0.002	0.002	0.000	0.000	0.000	0.000
427	A	428	ASP	-1	-0.817	-0.930	60.226	-0.036	-0.036	0.000	0.000	0.000	0.000
428	A	429	PRO	0	0.000	-0.001	57.890	0.000	0.000	0.000	0.000	0.000	0.000
429	A	430	SER	0	-0.062	-0.030	57.814	0.000	0.000	0.000	0.000	0.000	0.000
430	A	431	LEU	0	0.035	0.027	59.126	0.000	0.000	0.000	0.000	0.000	0.000
431	A	432	ALA	0	0.026	0.006	55.467	0.000	0.000	0.000	0.000	0.000	0.000
432	A	433	LEU	0	0.007	-0.010	52.634	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	434	LYS	1	0.879	0.964	53.637	0.029	0.029	0.000	0.000	0.000	0.000
434	A	435	LEU	0	0.012	0.003	54.570	0.000	0.000	0.000	0.000	0.000	0.000
435	A	436	GLY	0	0.020	0.014	50.740	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	437	ARG	1	0.758	0.848	49.656	0.028	0.028	0.000	0.000	0.000	0.000
437	A	438	ILE	0	-0.009	-0.003	50.188	0.000	0.000	0.000	0.000	0.000	0.000
438	A	439	TYR	0	-0.015	-0.040	45.501	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	440	TYR	0	-0.024	-0.050	42.871	-0.002	-0.002	0.000	0.000	0.000	0.000
440	A	441	LEU	0	-0.032	0.001	45.733	0.001	0.001	0.000	0.000	0.000	0.000
441	A	442	MET	0	-0.025	0.008	46.772	0.001	0.001	0.000	0.000	0.000	0.000
442	A	443	LEU	0	-0.023	-0.014	42.598	0.000	0.000	0.000	0.000	0.000	0.000
443	A	444	LEU	0	-0.027	-0.004	41.934	0.000	0.000	0.000	0.000	0.000	0.000
444	A	445	ALA	0	-0.041	-0.018	42.718	0.003	0.003	0.000	0.000	0.000	0.000
445	A	446	ASN	0	-0.056	-0.042	41.307	0.003	0.003	0.000	0.000	0.000	0.000
446	A	447	HIS	1	0.830	0.933	38.497	0.029	0.029	0.000	0.000	0.000	0.000
447	A	448	SER	0	0.025	-0.004	33.882	0.005	0.005	0.000	0.000	0.000	0.000
448	A	449	CYS	0	-0.022	-0.001	35.781	0.002	0.002	0.000	0.000	0.000	0.000
449	A	450	PRO	0	0.034	0.023	36.818	0.005	0.005	0.000	0.000	0.000	0.000
450	A	451	ARG	1	0.842	0.924	38.177	0.030	0.030	0.000	0.000	0.000	0.000
451	A	452	PHE	0	-0.004	0.004	29.290	0.000	0.000	0.000	0.000	0.000	0.000
452	A	453	TRP	0	0.063	0.036	32.303	0.008	0.008	0.000	0.000	0.000	0.000
453	A	454	GLU	-1	-0.835	-0.923	34.951	0.029	0.029	0.000	0.000	0.000	0.000
454	A	455	ASN	0	-0.018	-0.006	38.703	-0.002	-0.002	0.000	0.000	0.000	0.000
455	A	456	ILE	0	0.065	0.030	41.696	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	457	ASP	-1	-0.736	-0.862	44.061	0.010	0.010	0.000	0.000	0.000	0.000
457	A	458	THR	0	0.003	0.009	40.335	0.002	0.002	0.000	0.000	0.000	0.000
458	A	459	ARG	1	0.870	0.907	38.013	-0.013	-0.013	0.000	0.000	0.000	0.000
459	A	460	VAL	0	0.011	0.003	38.562	-0.004	-0.004	0.000	0.000	0.000	0.000
460	A	461	THR	0	-0.021	-0.016	41.938	-0.005	-0.005	0.000	0.000	0.000	0.000
461	A	462	PHE	0	0.008	0.023	44.201	-0.003	-0.003	0.000	0.000	0.000	0.000
462	A	463	GLY	0	0.041	0.023	45.000	-0.002	-0.002	0.000	0.000	0.000	0.000
463	A	464	ASN	0	-0.003	-0.004	41.478	-0.002	-0.002	0.000	0.000	0.000	0.000
464	A	465	VAL	0	0.010	0.007	45.420	-0.002	-0.002	0.000	0.000	0.000	0.000
465	A	466	ALA	0	0.009	0.010	48.898	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	467	THR	0	-0.032	-0.028	46.496	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	468	ILE	0	-0.010	-0.006	48.521	-0.002	-0.002	0.000	0.000	0.000	0.000
468	A	469	SER	0	-0.005	-0.020	50.196	0.000	0.000	0.000	0.000	0.000	0.000
469	A	470	LYS	1	0.725	0.859	52.205	0.018	0.018	0.000	0.000	0.000	0.000
470	A	471	ALA	0	0.000	0.000	51.298	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	472	LEU	0	-0.031	-0.018	53.278	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	473	ILE	0	0.026	0.010	55.734	0.000	0.000	0.000	0.000	0.000	0.000
473	A	474	GLU	-1	-0.694	-0.825	55.600	-0.027	-0.027	0.000	0.000	0.000	0.000
474	A	475	LEU	0	-0.015	0.001	55.487	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	476	MET	0	-0.058	-0.034	58.407	0.000	0.000	0.000	0.000	0.000	0.000
476	A	477	GLU	-1	-0.897	-0.969	61.278	-0.019	-0.019	0.000	0.000	0.000	0.000
477	A	478	LEU	0	0.022	0.013	58.649	0.000	0.000	0.000	0.000	0.000	0.000
478	A	479	TYR	0	-0.029	-0.049	59.696	0.000	0.000	0.000	0.000	0.000	0.000
479	A	480	MET	0	-0.034	-0.027	64.344	0.001	0.001	0.000	0.000	0.000	0.000
480	A	481	GLU	-1	-0.966	-0.965	64.794	-0.024	-0.024	0.000	0.000	0.000	0.000
481	A	482	GLU	-1	-0.971	-0.982	65.217	-0.030	-0.030	0.000	0.000	0.000	0.000
482	A	483	ASN	0	-0.123	-0.055	68.465	0.001	0.001	0.000	0.000	0.000	0.000
483	A	484	GLU	-1	-0.887	-0.947	66.414	-0.026	-0.026	0.000	0.000	0.000	0.000
484	A	485	GLU	-1	-0.953	-0.973	67.756	-0.021	-0.021	0.000	0.000	0.000	0.000
485	A	486	ARG	1	0.956	0.965	60.454	0.031	0.031	0.000	0.000	0.000	0.000
486	A	487	ALA	0	0.046	0.035	62.823	0.000	0.000	0.000	0.000	0.000	0.000
487	A	488	ASN	0	-0.055	-0.045	63.127	0.000	0.000	0.000	0.000	0.000	0.000
488	A	489	TYR	0	-0.003	0.004	60.847	0.000	0.000	0.000	0.000	0.000	0.000
489	A	490	ILE	0	-0.001	0.006	57.296	0.000	0.000	0.000	0.000	0.000	0.000
490	A	491	PHE	0	0.045	0.011	58.843	0.001	0.001	0.000	0.000	0.000	0.000
491	A	492	LEU	0	-0.018	0.001	59.114	0.001	0.001	0.000	0.000	0.000	0.000
492	A	493	GLU	-1	-0.851	-0.935	55.064	-0.023	-0.023	0.000	0.000	0.000	0.000
493	A	494	TYR	0	0.005	-0.014	55.599	0.001	0.001	0.000	0.000	0.000	0.000
494	A	495	MET	0	-0.005	-0.007	56.973	0.002	0.002	0.000	0.000	0.000	0.000
495	A	496	LYS	1	0.794	0.891	53.863	0.023	0.023	0.000	0.000	0.000	0.000
496	A	497	LEU	0	-0.025	-0.001	50.657	0.001	0.001	0.000	0.000	0.000	0.000
497	A	498	LEU	0	0.018	0.006	54.163	0.002	0.002	0.000	0.000	0.000	0.000
498	A	499	ALA	0	-0.018	0.009	57.072	0.002	0.002	0.000	0.000	0.000	0.000
499	A	500	PHE	0	0.041	0.014	48.003	0.000	0.000	0.000	0.000	0.000	0.000
500	A	501	PRO	0	-0.031	-0.027	53.596	0.000	0.000	0.000	0.000	0.000	0.000
501	A	502	GLN	0	0.054	0.031	54.735	0.002	0.002	0.000	0.000	0.000	0.000
502	A	503	LEU	0	0.004	-0.003	52.009	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	504	TYR	0	-0.070	-0.055	51.692	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	505	TYR	0	-0.082	-0.101	53.637	0.000	0.000	0.000	0.000	0.000	0.000
505	A	506	ASP	-1	-0.832	-0.913	56.417	-0.012	-0.012	0.000	0.000	0.000	0.000
506	A	507	TYR	0	-0.123	-0.087	50.214	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	508	ASP	-1	-0.904	-0.956	52.577	-0.014	-0.014	0.000	0.000	0.000	0.000
508	A	509	LEU	0	-0.033	-0.025	48.899	0.000	0.000	0.000	0.000	0.000	0.000
509	A	510	PHE	0	-0.018	0.002	50.860	0.001	0.001	0.000	0.000	0.000	0.000
510	A	511	ARG	1	0.900	0.957	52.608	0.013	0.013	0.000	0.000	0.000	0.000
511	A	512	MET	0	-0.034	0.006	45.109	0.000	0.000	0.000	0.000	0.000	0.000
512	A	513	LYS	1	0.982	1.018	44.705	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	514	GLY	0	0.018	0.013	45.046	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	515	LEU	0	-0.052	-0.032	37.972	0.000	0.000	0.000	0.000	0.000	0.000
515	A	516	GLU	-1	-0.864	-0.948	42.567	0.031	0.031	0.000	0.000	0.000	0.000
516	A	517	GLY	0	-0.032	-0.002	44.337	0.001	0.001	0.000	0.000	0.000	0.000
517	A	518	TRP	0	-0.027	-0.023	43.867	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	519	GLU	-1	-0.743	-0.859	43.274	0.014	0.014	0.000	0.000	0.000	0.000
519	A	520	THR	0	0.009	0.002	46.778	0.000	0.000	0.000	0.000	0.000	0.000
520	A	521	THR	0	0.022	0.039	49.306	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	522	GLU	-1	-0.779	-0.861	52.016	0.003	0.003	0.000	0.000	0.000	0.000
522	A	523	LYS	1	0.898	0.956	52.986	-0.018	-0.018	0.000	0.000	0.000	0.000
523	A	524	ALA	0	0.010	0.005	48.369	0.001	0.001	0.000	0.000	0.000	0.000
524	A	525	TRP	0	-0.026	0.000	48.442	0.001	0.001	0.000	0.000	0.000	0.000
525	A	526	PHE	0	0.031	-0.002	50.610	0.000	0.000	0.000	0.000	0.000	0.000
526	A	527	GLU	-1	-0.950	-0.984	50.300	0.021	0.021	0.000	0.000	0.000	0.000
527	A	528	SER	0	-0.065	-0.036	46.702	0.002	0.002	0.000	0.000	0.000	0.000
528	A	529	LEU	0	-0.048	-0.019	47.578	0.000	0.000	0.000	0.000	0.000	0.000
529	A	530	ARG	1	0.888	0.956	50.201	-0.020	-0.020	0.000	0.000	0.000	0.000
530	A	531	SER	0	-0.002	0.001	49.967	0.001	0.001	0.000	0.000	0.000	0.000
531	A	532	GLU	-1	-0.834	-0.926	46.024	0.028	0.028	0.000	0.000	0.000	0.000
532	A	533	VAL	0	-0.046	-0.004	49.273	0.003	0.003	0.000	0.000	0.000	0.000
533	A	534	PRO	0	-0.018	-0.007	51.514	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	535	ASN	0	-0.032	-0.019	53.815	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	536	SER	0	0.038	0.002	54.201	-0.002	-0.002	0.000	0.000	0.000	0.000
536	A	537	LYS	1	0.953	0.993	55.274	-0.006	-0.006	0.000	0.000	0.000	0.000
537	A	538	TYR	0	-0.028	0.005	55.891	0.000	0.000	0.000	0.000	0.000	0.000
538	A	539	ASN	0	0.048	0.018	51.371	0.000	0.000	0.000	0.000	0.000	0.000
539	A	540	VAL	0	0.040	0.004	46.883	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	541	VAL	0	-0.029	0.002	48.558	-0.002	-0.002	0.000	0.000	0.000	0.000
541	A	542	THR	0	0.018	-0.006	50.895	-0.001	-0.001	0.000	0.000	0.000	0.000
542	A	543	ARG	1	0.737	0.866	49.331	-0.010	-0.010	0.000	0.000	0.000	0.000
543	A	544	ALA	0	0.008	-0.005	50.384	0.000	0.000	0.000	0.000	0.000	0.000
544	A	545	ALA	0	0.041	0.023	52.518	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	546	LEU	0	0.012	0.020	54.849	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	547	TYR	0	-0.063	-0.024	53.339	0.001	0.001	0.000	0.000	0.000	0.000
547	A	548	VAL	0	-0.023	-0.014	53.251	0.000	0.000	0.000	0.000	0.000	0.000
548	A	549	GLY	0	0.071	0.039	56.364	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	550	LYS	1	0.832	0.921	58.726	0.000	0.000	0.000	0.000	0.000	0.000
550	A	551	ARG	1	0.787	0.901	57.250	0.006	0.006	0.000	0.000	0.000	0.000
551	A	552	ASP	-1	-0.669	-0.800	57.587	-0.015	-0.015	0.000	0.000	0.000	0.000
552	A	553	LEU	0	-0.040	0.011	61.072	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	554	PRO	0	0.063	0.032	63.214	0.001	0.001	0.000	0.000	0.000	0.000
554	A	555	PRO	0	0.023	-0.001	66.725	0.001	0.001	0.000	0.000	0.000	0.000
555	A	556	ASP	-1	-0.877	-0.931	69.393	-0.010	-0.010	0.000	0.000	0.000	0.000
556	A	557	MET	0	-0.017	-0.022	64.995	0.001	0.001	0.000	0.000	0.000	0.000
557	A	558	ARG	1	0.913	0.950	64.446	0.006	0.006	0.000	0.000	0.000	0.000
558	A	559	SER	0	0.014	0.001	66.319	0.001	0.001	0.000	0.000	0.000	0.000
559	A	560	VAL	0	-0.021	0.003	66.194	0.001	0.001	0.000	0.000	0.000	0.000
560	A	561	ILE	0	-0.026	-0.022	61.545	0.001	0.001	0.000	0.000	0.000	0.000
561	A	562	ASP	-1	-0.942	-0.983	64.842	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	563	THR	0	-0.046	-0.011	66.916	0.001	0.001	0.000	0.000	0.000	0.000
563	A	564	LEU	0	-0.074	-0.033	64.990	0.001	0.001	0.000	0.000	0.000	0.000
564	A	565	TYR	0	-0.077	-0.046	59.748	0.001	0.001	0.000	0.000	0.000	0.000
565	A	566	ASP	-1	-0.823	-0.905	62.721	0.005	0.005	0.000	0.000	0.000	0.000
566	A	567	LEU	0	0.013	-0.018	61.674	0.000	0.000	0.000	0.000	0.000	0.000
567	A	568	GLU	-1	-0.980	-0.974	60.995	0.006	0.006	0.000	0.000	0.000	0.000
568	A	569	GLU	-1	-0.859	-0.922	58.536	0.011	0.011	0.000	0.000	0.000	0.000
569	A	570	ALA	0	-0.059	-0.010	56.642	0.000	0.000	0.000	0.000	0.000	0.000
570	A	571	VAL	0	-0.016	-0.014	53.725	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	572	PRO	0	0.015	-0.023	50.395	0.000	0.000	0.000	0.000	0.000	0.000
572	A	573	ASP	-1	-0.823	-0.881	49.276	0.015	0.015	0.000	0.000	0.000	0.000
573	A	574	THR	0	-0.007	-0.004	45.142	-0.003	-0.003	0.000	0.000	0.000	0.000
574	A	575	GLY	0	0.050	0.022	45.119	0.003	0.003	0.000	0.000	0.000	0.000
575	A	576	HIS	0	-0.015	-0.018	40.671	-0.004	-0.004	0.000	0.000	0.000	0.000
576	A	577	ILE	0	-0.021	-0.004	35.984	0.000	0.000	0.000	0.000	0.000	0.000
577	A	578	PRO	0	0.022	0.003	35.253	0.004	0.004	0.000	0.000	0.000	0.000
578	A	579	GLY	0	0.008	-0.003	32.814	0.007	0.007	0.000	0.000	0.000	0.000
579	A	580	GLU	-1	-0.780	-0.868	32.956	0.024	0.024	0.000	0.000	0.000	0.000
580	A	581	MET	0	-0.090	-0.039	35.609	0.001	0.001	0.000	0.000	0.000	0.000
581	A	582	HIS	0	0.001	0.011	31.654	0.009	0.009	0.000	0.000	0.000	0.000
582	A	583	GLY	0	0.001	0.019	34.347	0.002	0.002	0.000	0.000	0.000	0.000
583	A	584	LYS	1	0.888	0.948	36.705	-0.059	-0.059	0.000	0.000	0.000	0.000
584	A	585	TRP	0	-0.031	-0.043	38.544	-0.007	-0.007	0.000	0.000	0.000	0.000
585	A	586	GLU	-1	-0.850	-0.910	42.540	0.030	0.030	0.000	0.000	0.000	0.000
586	A	587	ASN	0	0.048	0.041	46.076	0.003	0.003	0.000	0.000	0.000	0.000
587	A	588	LYS	1	0.908	0.921	42.257	-0.054	-0.054	0.000	0.000	0.000	0.000
588	A	589	GLU	-1	-0.876	-0.920	43.537	0.047	0.047	0.000	0.000	0.000	0.000
589	A	590	TRP	0	-0.131	-0.082	45.467	0.000	0.000	0.000	0.000	0.000	0.000
590	A	591	CYS	0	-0.068	-0.008	43.548	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	592	GLU	-1	-0.840	-0.937	45.628	0.021	0.021	0.000	0.000	0.000	0.000
592	A	593	HIS	0	0.074	0.022	48.115	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	594	LYS	1	0.807	0.908	50.621	-0.022	-0.022	0.000	0.000	0.000	0.000
594	A	595	GLY	0	0.030	0.010	53.044	-0.002	-0.002	0.000	0.000	0.000	0.000
595	A	596	LYS	1	0.863	0.921	55.921	-0.010	-0.010	0.000	0.000	0.000	0.000
596	A	597	ASP	-1	-0.918	-0.942	56.542	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)