FMO DATABASE

FMODB ID: RY198

Calculation Name: 1CEZ-A-Xray372

Preferred Name: DNA-directed RNA polymerase

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 1CEZ

Chain ID: A

ChEMBL ID: CHEMBL1075072

UniProt ID: P00573

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

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	862
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23847932.149356
FMO2-HF: Nuclear repulsion	23507057.179976
FMO2-HF: Total energy	-340874.96938
FMO2-MP2: Total energy	-341863.720225

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:6:ILE)

Summations of interaction energy for fragment #1(A:6:ILE)

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.
-20.364	-15.625	21.07	-10.704	-15.106	-0.051

Interaction energy analysis for fragmet #1(A:6:ILE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.007 / q_NPA : -0.006

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	8	LYS	1	0.902	0.946	2.010	-8.619	-5.200	4.523	-2.626	-5.316	0.011
4	A	9	ASN	0	0.028	0.001	2.421	-3.356	-2.183	1.498	-0.859	-1.812	-0.017
5	A	10	ASP	-1	-0.840	-0.892	1.779	-9.288	-12.090	14.955	-6.340	-5.813	-0.044
6	A	11	PHE	0	0.008	0.021	3.454	0.715	1.555	0.010	-0.289	-0.561	-0.001
7	A	12	SER	0	0.049	0.023	6.693	0.303	0.303	0.000	0.000	0.000	0.000
8	A	13	ASP	-1	-0.819	-0.908	10.412	-0.805	-0.805	0.000	0.000	0.000	0.000
9	A	14	ILE	0	-0.033	-0.028	12.663	0.111	0.111	0.000	0.000	0.000	0.000
10	A	15	GLU	-1	-0.837	-0.915	9.856	-1.451	-1.451	0.000	0.000	0.000	0.000
11	A	16	LEU	0	-0.014	-0.013	7.084	0.144	0.144	0.000	0.000	0.000	0.000
12	A	17	ALA	0	0.016	0.003	11.048	0.153	0.153	0.000	0.000	0.000	0.000
13	A	18	ALA	0	0.024	0.003	14.203	0.098	0.098	0.000	0.000	0.000	0.000
14	A	19	ILE	0	-0.059	-0.015	9.614	0.089	0.089	0.000	0.000	0.000	0.000
15	A	20	PRO	0	0.034	0.014	11.931	0.087	0.087	0.000	0.000	0.000	0.000
16	A	21	PHE	0	-0.006	-0.004	14.147	0.073	0.073	0.000	0.000	0.000	0.000
17	A	22	ASN	0	0.096	0.046	16.021	0.067	0.067	0.000	0.000	0.000	0.000
18	A	23	THR	0	0.041	0.035	13.806	0.057	0.057	0.000	0.000	0.000	0.000
19	A	24	LEU	0	-0.040	-0.026	16.862	0.044	0.044	0.000	0.000	0.000	0.000
20	A	25	ALA	0	-0.012	-0.009	18.685	0.028	0.028	0.000	0.000	0.000	0.000
21	A	26	ASP	-1	-0.958	-0.970	19.313	-0.117	-0.117	0.000	0.000	0.000	0.000
22	A	27	HIS	1	0.864	0.940	17.613	0.140	0.140	0.000	0.000	0.000	0.000
23	A	28	TYR	0	0.002	-0.045	19.616	-0.010	-0.010	0.000	0.000	0.000	0.000
24	A	29	GLY	0	0.036	0.023	23.940	0.008	0.008	0.000	0.000	0.000	0.000
25	A	30	GLU	-1	-0.746	-0.881	24.289	-0.148	-0.148	0.000	0.000	0.000	0.000
26	A	31	ARG	1	0.901	0.966	25.359	0.064	0.064	0.000	0.000	0.000	0.000
27	A	32	LEU	0	0.032	-0.002	25.124	-0.001	-0.001	0.000	0.000	0.000	0.000
28	A	33	ALA	0	0.036	0.045	20.956	0.001	0.001	0.000	0.000	0.000	0.000
29	A	34	ARG	1	0.798	0.880	21.418	0.146	0.146	0.000	0.000	0.000	0.000
30	A	35	GLU	-1	-0.911	-0.956	23.475	-0.066	-0.066	0.000	0.000	0.000	0.000
31	A	36	GLN	0	0.042	0.002	19.064	0.014	0.014	0.000	0.000	0.000	0.000
32	A	37	LEU	0	0.014	0.007	16.719	0.005	0.005	0.000	0.000	0.000	0.000
33	A	38	ALA	0	-0.032	-0.015	20.109	0.002	0.002	0.000	0.000	0.000	0.000
34	A	39	LEU	0	-0.043	-0.012	23.065	0.006	0.006	0.000	0.000	0.000	0.000
35	A	40	GLU	-1	-0.750	-0.850	16.638	-0.078	-0.078	0.000	0.000	0.000	0.000
36	A	41	HIS	0	-0.014	-0.028	17.632	0.021	0.021	0.000	0.000	0.000	0.000
37	A	42	GLU	-1	-0.755	-0.847	21.421	-0.061	-0.061	0.000	0.000	0.000	0.000
38	A	43	SER	0	-0.098	-0.050	20.533	0.009	0.009	0.000	0.000	0.000	0.000
39	A	44	TYR	0	-0.005	-0.011	17.000	0.005	0.005	0.000	0.000	0.000	0.000
40	A	45	GLU	-1	-0.793	-0.880	22.759	-0.139	-0.139	0.000	0.000	0.000	0.000
41	A	46	MET	0	-0.047	0.009	25.653	0.000	0.000	0.000	0.000	0.000	0.000
42	A	47	GLY	0	0.016	0.005	28.285	-0.005	-0.005	0.000	0.000	0.000	0.000
43	A	48	GLU	-1	-0.835	-0.941	29.107	-0.076	-0.076	0.000	0.000	0.000	0.000
44	A	49	ALA	0	-0.059	-0.032	31.320	0.006	0.006	0.000	0.000	0.000	0.000
45	A	50	ARG	1	0.835	0.902	27.108	0.090	0.090	0.000	0.000	0.000	0.000
46	A	51	PHE	0	0.063	0.023	33.280	0.006	0.006	0.000	0.000	0.000	0.000
47	A	52	ARG	1	1.003	1.014	35.084	0.065	0.065	0.000	0.000	0.000	0.000
48	A	53	LYS	1	0.920	0.958	36.417	0.058	0.058	0.000	0.000	0.000	0.000
49	A	54	MET	0	-0.077	-0.034	36.684	0.003	0.003	0.000	0.000	0.000	0.000
50	A	55	PHE	0	-0.017	0.018	38.852	0.003	0.003	0.000	0.000	0.000	0.000
51	A	72	PRO	0	0.015	0.012	38.921	0.001	0.001	0.000	0.000	0.000	0.000
52	A	73	LEU	0	0.090	0.031	38.800	-0.003	-0.003	0.000	0.000	0.000	0.000
53	A	74	ILE	0	0.023	0.023	33.018	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	75	THR	0	-0.040	-0.032	36.805	-0.004	-0.004	0.000	0.000	0.000	0.000
55	A	76	THR	0	-0.077	-0.037	39.258	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	77	LEU	0	0.024	-0.005	36.467	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	78	LEU	0	0.035	0.026	31.722	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	79	PRO	0	0.010	0.010	35.578	-0.002	-0.002	0.000	0.000	0.000	0.000
59	A	80	LYS	1	0.953	0.977	37.933	0.034	0.034	0.000	0.000	0.000	0.000
60	A	81	MET	0	-0.010	0.020	32.841	0.001	0.001	0.000	0.000	0.000	0.000
61	A	82	ILE	0	-0.015	-0.018	32.513	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	83	ALA	0	-0.013	-0.011	34.744	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	84	ARG	1	0.827	0.903	37.627	0.034	0.034	0.000	0.000	0.000	0.000
64	A	85	ILE	0	-0.014	-0.016	31.064	0.001	0.001	0.000	0.000	0.000	0.000
65	A	86	ASN	0	-0.018	-0.020	33.649	-0.005	-0.005	0.000	0.000	0.000	0.000
66	A	87	ASP	-1	-0.847	-0.913	35.556	-0.049	-0.049	0.000	0.000	0.000	0.000
67	A	88	TRP	0	-0.021	-0.022	31.399	0.001	0.001	0.000	0.000	0.000	0.000
68	A	89	PHE	0	-0.015	-0.028	29.426	0.002	0.002	0.000	0.000	0.000	0.000
69	A	90	GLU	-1	-0.923	-0.951	35.270	-0.060	-0.060	0.000	0.000	0.000	0.000
70	A	91	GLU	-1	-0.850	-0.924	38.535	-0.032	-0.032	0.000	0.000	0.000	0.000
71	A	92	VAL	0	-0.075	-0.041	34.575	0.003	0.003	0.000	0.000	0.000	0.000
72	A	93	LYS	1	0.902	0.956	31.936	0.082	0.082	0.000	0.000	0.000	0.000
73	A	94	ALA	0	0.021	0.025	37.695	0.000	0.000	0.000	0.000	0.000	0.000
74	A	95	LYS	1	0.866	0.957	40.513	0.037	0.037	0.000	0.000	0.000	0.000
75	A	96	ARG	1	0.994	0.999	40.398	0.028	0.028	0.000	0.000	0.000	0.000
76	A	97	GLY	0	0.016	0.001	40.383	0.002	0.002	0.000	0.000	0.000	0.000
77	A	98	LYS	1	0.944	0.965	34.756	0.012	0.012	0.000	0.000	0.000	0.000
78	A	99	ARG	1	0.929	0.977	33.328	0.052	0.052	0.000	0.000	0.000	0.000
79	A	100	PRO	0	-0.015	-0.006	33.749	0.003	0.003	0.000	0.000	0.000	0.000
80	A	101	THR	0	0.041	-0.001	28.565	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	102	ALA	0	0.011	0.016	28.882	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	103	PHE	0	0.008	0.005	28.481	-0.005	-0.005	0.000	0.000	0.000	0.000
83	A	104	GLN	0	-0.020	-0.005	27.256	-0.010	-0.010	0.000	0.000	0.000	0.000
84	A	105	PHE	0	-0.035	-0.006	22.097	-0.008	-0.008	0.000	0.000	0.000	0.000
85	A	106	LEU	0	0.026	-0.015	24.467	-0.010	-0.010	0.000	0.000	0.000	0.000
86	A	107	GLN	0	-0.074	-0.026	26.747	-0.004	-0.004	0.000	0.000	0.000	0.000
87	A	108	GLU	-1	-0.904	-0.952	22.845	-0.142	-0.142	0.000	0.000	0.000	0.000
88	A	109	ILE	0	-0.076	-0.019	22.199	-0.014	-0.014	0.000	0.000	0.000	0.000
89	A	110	LYS	1	0.884	0.938	24.165	0.146	0.146	0.000	0.000	0.000	0.000
90	A	111	PRO	0	0.081	0.028	26.204	0.007	0.007	0.000	0.000	0.000	0.000
91	A	112	GLU	-1	-0.876	-0.957	28.502	-0.092	-0.092	0.000	0.000	0.000	0.000
92	A	113	ALA	0	-0.004	0.002	24.222	0.007	0.007	0.000	0.000	0.000	0.000
93	A	114	VAL	0	0.008	0.000	26.306	0.011	0.011	0.000	0.000	0.000	0.000
94	A	115	ALA	0	0.018	0.019	27.635	0.010	0.010	0.000	0.000	0.000	0.000
95	A	116	TYR	0	-0.030	-0.032	26.731	0.008	0.008	0.000	0.000	0.000	0.000
96	A	117	ILE	0	0.028	0.022	22.784	0.008	0.008	0.000	0.000	0.000	0.000
97	A	118	THR	0	-0.014	-0.001	26.665	0.012	0.012	0.000	0.000	0.000	0.000
98	A	119	ILE	0	-0.015	0.006	29.562	0.007	0.007	0.000	0.000	0.000	0.000
99	A	120	LYS	1	0.850	0.909	25.604	0.043	0.043	0.000	0.000	0.000	0.000
100	A	121	THR	0	-0.048	-0.035	26.221	0.008	0.008	0.000	0.000	0.000	0.000
101	A	122	THR	0	-0.002	-0.016	28.204	0.008	0.008	0.000	0.000	0.000	0.000
102	A	123	LEU	0	0.001	-0.008	31.701	0.004	0.004	0.000	0.000	0.000	0.000
103	A	124	ALA	0	0.023	0.016	28.658	0.003	0.003	0.000	0.000	0.000	0.000
104	A	125	CYS	0	-0.068	-0.020	29.217	0.007	0.007	0.000	0.000	0.000	0.000
105	A	126	LEU	0	0.006	-0.001	31.237	0.003	0.003	0.000	0.000	0.000	0.000
106	A	127	THR	0	-0.092	-0.043	31.909	0.001	0.001	0.000	0.000	0.000	0.000
107	A	128	SER	0	-0.051	-0.012	32.639	0.004	0.004	0.000	0.000	0.000	0.000
108	A	129	ALA	0	-0.018	-0.020	34.530	-0.003	-0.003	0.000	0.000	0.000	0.000
109	A	130	ASP	-1	-0.886	-0.934	36.505	0.033	0.033	0.000	0.000	0.000	0.000
110	A	131	ASN	0	-0.016	-0.017	32.987	-0.006	-0.006	0.000	0.000	0.000	0.000
111	A	132	THR	0	0.043	0.038	33.454	0.001	0.001	0.000	0.000	0.000	0.000
112	A	133	THR	0	0.014	-0.004	34.080	-0.003	-0.003	0.000	0.000	0.000	0.000
113	A	134	VAL	0	0.031	-0.004	33.777	0.000	0.000	0.000	0.000	0.000	0.000
114	A	135	GLN	0	-0.038	-0.032	31.165	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	136	ALA	0	-0.006	0.007	29.413	0.002	0.002	0.000	0.000	0.000	0.000
116	A	137	VAL	0	0.052	0.015	28.697	0.001	0.001	0.000	0.000	0.000	0.000
117	A	138	ALA	0	0.010	0.019	28.884	-0.003	-0.003	0.000	0.000	0.000	0.000
118	A	139	SER	0	-0.004	-0.017	24.919	0.001	0.001	0.000	0.000	0.000	0.000
119	A	140	ALA	0	-0.052	-0.024	24.509	0.003	0.003	0.000	0.000	0.000	0.000
120	A	141	ILE	0	0.005	0.007	24.214	-0.003	-0.003	0.000	0.000	0.000	0.000
121	A	142	GLY	0	0.028	0.020	24.374	-0.008	-0.008	0.000	0.000	0.000	0.000
122	A	143	ARG	1	0.915	0.955	16.734	-0.110	-0.110	0.000	0.000	0.000	0.000
123	A	144	ALA	0	0.033	0.024	19.518	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	145	ILE	0	-0.009	-0.010	20.645	-0.015	-0.015	0.000	0.000	0.000	0.000
125	A	146	GLU	-1	-0.706	-0.825	16.104	0.046	0.046	0.000	0.000	0.000	0.000
126	A	147	ASP	-1	-0.928	-0.969	16.132	0.022	0.022	0.000	0.000	0.000	0.000
127	A	148	GLU	-1	-0.728	-0.834	16.552	-0.169	-0.169	0.000	0.000	0.000	0.000
128	A	149	ALA	0	-0.006	0.004	18.501	-0.029	-0.029	0.000	0.000	0.000	0.000
129	A	150	ARG	1	0.895	0.969	9.699	-0.081	-0.081	0.000	0.000	0.000	0.000
130	A	151	PHE	0	0.019	-0.005	9.486	0.029	0.029	0.000	0.000	0.000	0.000
131	A	152	GLY	0	0.091	0.060	14.286	-0.032	-0.032	0.000	0.000	0.000	0.000
132	A	153	ARG	1	0.806	0.875	13.308	0.570	0.570	0.000	0.000	0.000	0.000
133	A	154	ILE	0	0.014	-0.006	10.660	-0.001	-0.001	0.000	0.000	0.000	0.000
134	A	155	ARG	1	0.822	0.877	15.031	0.163	0.163	0.000	0.000	0.000	0.000
135	A	156	ASP	-1	-0.867	-0.909	17.687	-0.239	-0.239	0.000	0.000	0.000	0.000
136	A	157	LEU	0	-0.014	-0.015	16.138	0.015	0.015	0.000	0.000	0.000	0.000
137	A	158	GLU	-1	-0.698	-0.832	15.088	-0.314	-0.314	0.000	0.000	0.000	0.000
138	A	159	ALA	0	-0.013	-0.008	18.071	0.023	0.023	0.000	0.000	0.000	0.000
139	A	160	LYS	1	0.772	0.860	21.595	0.268	0.268	0.000	0.000	0.000	0.000
140	A	161	HIS	0	-0.013	0.004	18.904	0.014	0.014	0.000	0.000	0.000	0.000
141	A	162	PHE	0	0.069	0.058	19.684	0.020	0.020	0.000	0.000	0.000	0.000
142	A	163	LYS	1	0.917	0.963	22.435	0.183	0.183	0.000	0.000	0.000	0.000
143	A	164	LYS	1	0.833	0.909	23.701	0.276	0.276	0.000	0.000	0.000	0.000
144	A	165	ASN	0	-0.055	-0.026	24.975	-0.009	-0.009	0.000	0.000	0.000	0.000
145	A	166	VAL	0	0.006	0.020	22.086	-0.007	-0.007	0.000	0.000	0.000	0.000
146	A	167	GLU	-1	-0.880	-0.955	22.424	-0.239	-0.239	0.000	0.000	0.000	0.000
147	A	168	GLU	-1	-0.961	-0.988	25.733	-0.135	-0.135	0.000	0.000	0.000	0.000
148	A	169	GLN	0	0.031	0.013	28.195	-0.005	-0.005	0.000	0.000	0.000	0.000
149	A	170	LEU	0	0.060	0.028	29.132	-0.003	-0.003	0.000	0.000	0.000	0.000
150	A	171	ASN	0	-0.002	-0.011	31.165	-0.002	-0.002	0.000	0.000	0.000	0.000
151	A	172	LYS	1	0.966	0.987	24.904	0.132	0.132	0.000	0.000	0.000	0.000
152	A	173	ARG	1	0.902	0.947	26.648	0.128	0.128	0.000	0.000	0.000	0.000
153	A	174	VAL	0	-0.082	-0.034	28.246	0.003	0.003	0.000	0.000	0.000	0.000
154	A	175	GLY	0	0.028	0.013	27.371	0.004	0.004	0.000	0.000	0.000	0.000
155	A	176	HIS	0	-0.017	-0.006	28.247	0.013	0.013	0.000	0.000	0.000	0.000
156	A	177	VAL	0	0.022	0.014	30.088	0.006	0.006	0.000	0.000	0.000	0.000
157	A	178	TYR	0	0.015	-0.008	32.918	0.006	0.006	0.000	0.000	0.000	0.000
158	A	179	LYS	1	0.897	0.962	28.956	0.046	0.046	0.000	0.000	0.000	0.000
159	A	180	LYS	1	0.931	0.954	33.264	0.011	0.011	0.000	0.000	0.000	0.000
160	A	181	ALA	0	0.031	0.023	32.052	0.004	0.004	0.000	0.000	0.000	0.000
161	A	182	PHE	0	-0.042	-0.020	28.775	-0.005	-0.005	0.000	0.000	0.000	0.000
162	A	183	MET	0	-0.045	0.005	24.702	0.000	0.000	0.000	0.000	0.000	0.000
163	A	184	GLN	0	0.094	0.061	23.475	0.011	0.011	0.000	0.000	0.000	0.000
164	A	185	VAL	0	0.030	0.027	18.247	-0.016	-0.016	0.000	0.000	0.000	0.000
165	A	186	VAL	0	-0.042	-0.015	16.104	-0.008	-0.008	0.000	0.000	0.000	0.000
166	A	187	GLU	-1	-0.841	-0.926	17.573	0.108	0.108	0.000	0.000	0.000	0.000
167	A	188	ALA	0	0.027	0.002	13.434	-0.018	-0.018	0.000	0.000	0.000	0.000
168	A	189	ASP	-1	-0.888	-0.952	12.640	0.152	0.152	0.000	0.000	0.000	0.000
169	A	190	MET	0	-0.080	-0.026	13.403	-0.057	-0.057	0.000	0.000	0.000	0.000
170	A	191	LEU	0	-0.076	-0.031	10.356	-0.099	-0.099	0.000	0.000	0.000	0.000
171	A	192	SER	0	0.044	0.019	8.588	-0.030	-0.030	0.000	0.000	0.000	0.000
172	A	193	LYS	1	0.966	0.948	2.876	-0.539	0.308	0.038	-0.292	-0.593	0.001
173	A	194	GLY	0	-0.021	0.001	4.518	-0.613	-0.508	-0.001	-0.013	-0.092	0.000
174	A	195	LEU	0	-0.018	-0.013	6.458	0.238	0.238	0.000	0.000	0.000	0.000
175	A	196	LEU	0	-0.009	0.005	3.309	-0.275	0.227	0.033	-0.086	-0.448	0.000
176	A	197	GLY	0	-0.010	-0.016	3.630	-0.261	0.130	0.014	-0.144	-0.261	-0.001
177	A	198	GLY	0	0.022	0.002	3.931	0.259	0.499	0.001	-0.053	-0.189	0.000
178	A	199	GLU	-1	-0.885	-0.924	4.809	0.287	0.311	-0.001	-0.002	-0.021	0.000
179	A	200	ALA	0	0.060	0.031	7.911	-0.132	-0.132	0.000	0.000	0.000	0.000
180	A	201	TRP	0	-0.074	-0.024	11.024	-0.078	-0.078	0.000	0.000	0.000	0.000
181	A	202	SER	0	-0.108	-0.070	12.987	0.001	0.001	0.000	0.000	0.000	0.000
182	A	203	SER	0	-0.004	-0.027	14.542	0.026	0.026	0.000	0.000	0.000	0.000
183	A	204	TRP	0	-0.017	0.004	16.417	-0.009	-0.009	0.000	0.000	0.000	0.000
184	A	205	HIS	0	0.024	0.021	20.026	0.025	0.025	0.000	0.000	0.000	0.000
185	A	206	LYS	1	0.960	0.979	22.951	-0.077	-0.077	0.000	0.000	0.000	0.000
186	A	207	GLU	-1	-0.821	-0.915	25.076	0.041	0.041	0.000	0.000	0.000	0.000
187	A	208	ASP	-1	-0.824	-0.930	24.366	0.000	0.000	0.000	0.000	0.000	0.000
188	A	209	SER	0	-0.043	-0.011	22.924	-0.007	-0.007	0.000	0.000	0.000	0.000
189	A	210	ILE	0	0.002	-0.002	25.020	-0.005	-0.005	0.000	0.000	0.000	0.000
190	A	211	HIS	0	0.014	0.005	28.552	-0.008	-0.008	0.000	0.000	0.000	0.000
191	A	212	VAL	0	0.002	-0.011	25.444	-0.004	-0.004	0.000	0.000	0.000	0.000
192	A	213	GLY	0	0.012	0.007	27.960	-0.004	-0.004	0.000	0.000	0.000	0.000
193	A	214	VAL	0	-0.016	-0.020	29.072	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	215	ARG	1	0.789	0.869	31.745	0.013	0.013	0.000	0.000	0.000	0.000
195	A	216	CYS	0	-0.015	0.004	28.465	-0.004	-0.004	0.000	0.000	0.000	0.000
196	A	217	ILE	0	0.020	0.007	31.949	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	218	GLU	-1	-0.785	-0.866	34.172	-0.016	-0.016	0.000	0.000	0.000	0.000
198	A	219	MET	0	0.047	0.026	32.366	-0.002	-0.002	0.000	0.000	0.000	0.000
199	A	220	LEU	0	-0.017	0.005	34.055	-0.002	-0.002	0.000	0.000	0.000	0.000
200	A	221	ILE	0	-0.062	-0.029	36.744	0.000	0.000	0.000	0.000	0.000	0.000
201	A	222	GLU	-1	-0.838	-0.888	39.608	-0.027	-0.027	0.000	0.000	0.000	0.000
202	A	223	SER	0	-0.044	-0.032	38.152	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	224	THR	0	-0.117	-0.057	38.775	0.000	0.000	0.000	0.000	0.000	0.000
204	A	225	GLY	0	0.110	0.055	41.332	0.001	0.001	0.000	0.000	0.000	0.000
205	A	226	MET	0	-0.090	-0.034	34.884	0.001	0.001	0.000	0.000	0.000	0.000
206	A	227	VAL	0	-0.002	-0.013	36.786	0.003	0.003	0.000	0.000	0.000	0.000
207	A	228	SER	0	0.044	0.026	40.016	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	229	LEU	0	-0.057	-0.031	38.611	0.002	0.002	0.000	0.000	0.000	0.000
209	A	230	HIS	0	0.025	0.007	41.623	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	231	ARG	1	0.830	0.898	42.710	-0.011	-0.011	0.000	0.000	0.000	0.000
211	A	232	GLN	0	-0.026	-0.020	42.936	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	233	ASN	0	-0.028	-0.024	44.933	0.000	0.000	0.000	0.000	0.000	0.000
213	A	234	ALA	0	0.012	0.000	47.217	0.001	0.001	0.000	0.000	0.000	0.000
214	A	235	GLY	0	0.026	0.015	47.795	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	236	VAL	0	-0.027	-0.002	47.076	0.001	0.001	0.000	0.000	0.000	0.000
216	A	237	VAL	0	0.009	-0.007	44.537	0.001	0.001	0.000	0.000	0.000	0.000
217	A	238	GLY	0	-0.002	0.004	43.361	0.002	0.002	0.000	0.000	0.000	0.000
218	A	239	GLN	0	-0.019	-0.028	42.657	0.001	0.001	0.000	0.000	0.000	0.000
219	A	240	ASP	-1	-0.795	-0.832	43.484	0.016	0.016	0.000	0.000	0.000	0.000
220	A	241	SER	0	-0.016	-0.020	39.931	0.002	0.002	0.000	0.000	0.000	0.000
221	A	242	GLU	-1	-0.876	-0.936	38.685	0.008	0.008	0.000	0.000	0.000	0.000
222	A	243	THR	0	-0.066	-0.037	38.115	0.003	0.003	0.000	0.000	0.000	0.000
223	A	244	ILE	0	0.011	0.014	35.032	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	245	GLU	-1	-0.796	-0.891	38.266	0.015	0.015	0.000	0.000	0.000	0.000
225	A	246	LEU	0	-0.025	-0.013	38.405	-0.002	-0.002	0.000	0.000	0.000	0.000
226	A	247	ALA	0	0.022	0.017	40.837	0.001	0.001	0.000	0.000	0.000	0.000
227	A	248	PRO	0	0.034	0.000	44.017	0.000	0.000	0.000	0.000	0.000	0.000
228	A	249	GLU	-1	-0.840	-0.919	46.091	-0.010	-0.010	0.000	0.000	0.000	0.000
229	A	250	TYR	0	-0.003	-0.019	41.474	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	251	ALA	0	-0.015	0.000	42.974	0.000	0.000	0.000	0.000	0.000	0.000
231	A	252	GLU	-1	-0.825	-0.906	43.960	-0.003	-0.003	0.000	0.000	0.000	0.000
232	A	253	ALA	0	-0.064	-0.026	44.105	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	254	ILE	0	-0.023	-0.033	38.787	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	255	ALA	0	0.013	0.021	42.463	0.000	0.000	0.000	0.000	0.000	0.000
235	A	256	THR	0	0.013	-0.002	44.960	0.001	0.001	0.000	0.000	0.000	0.000
236	A	257	ARG	1	0.911	0.965	44.557	0.015	0.015	0.000	0.000	0.000	0.000
237	A	258	ALA	0	0.030	0.015	43.927	0.001	0.001	0.000	0.000	0.000	0.000
238	A	259	GLY	0	0.058	0.032	39.844	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	260	ALA	0	-0.012	-0.002	39.836	-0.003	-0.003	0.000	0.000	0.000	0.000
240	A	261	LEU	0	0.061	0.005	34.730	-0.003	-0.003	0.000	0.000	0.000	0.000
241	A	262	ALA	0	-0.030	0.001	34.950	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	263	GLY	0	0.005	0.009	33.237	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	264	ILE	0	-0.053	-0.026	31.308	-0.006	-0.006	0.000	0.000	0.000	0.000
244	A	265	SER	0	-0.012	-0.020	28.072	0.002	0.002	0.000	0.000	0.000	0.000
245	A	266	PRO	0	0.010	-0.002	26.698	-0.001	-0.001	0.000	0.000	0.000	0.000
246	A	267	MET	0	-0.011	0.012	22.148	-0.010	-0.010	0.000	0.000	0.000	0.000
247	A	268	PHE	0	0.003	0.021	17.912	-0.005	-0.005	0.000	0.000	0.000	0.000
248	A	269	GLN	0	0.066	0.041	22.494	0.007	0.007	0.000	0.000	0.000	0.000
249	A	270	PRO	0	0.033	0.027	22.676	0.005	0.005	0.000	0.000	0.000	0.000
250	A	271	CYS	0	-0.042	0.004	20.425	-0.010	-0.010	0.000	0.000	0.000	0.000
251	A	272	VAL	0	0.005	-0.007	22.897	0.008	0.008	0.000	0.000	0.000	0.000
252	A	273	VAL	0	-0.031	-0.026	20.277	-0.005	-0.005	0.000	0.000	0.000	0.000
253	A	274	PRO	0	-0.012	0.010	20.771	0.004	0.004	0.000	0.000	0.000	0.000
254	A	275	PRO	0	0.007	0.002	18.274	-0.014	-0.014	0.000	0.000	0.000	0.000
255	A	276	LYS	1	0.856	0.944	9.300	0.059	0.059	0.000	0.000	0.000	0.000
256	A	277	PRO	0	0.010	0.008	14.007	0.024	0.024	0.000	0.000	0.000	0.000
257	A	278	TRP	0	-0.053	-0.029	11.569	0.033	0.033	0.000	0.000	0.000	0.000
258	A	279	THR	0	0.008	-0.001	9.434	-0.028	-0.028	0.000	0.000	0.000	0.000
259	A	280	GLY	0	0.052	0.016	8.209	0.084	0.084	0.000	0.000	0.000	0.000
260	A	281	ILE	0	0.030	0.028	7.040	-0.105	-0.105	0.000	0.000	0.000	0.000
261	A	282	THR	0	-0.062	-0.045	6.337	-0.091	-0.091	0.000	0.000	0.000	0.000
262	A	283	GLY	0	0.027	0.011	8.026	0.028	0.028	0.000	0.000	0.000	0.000
263	A	284	GLY	0	0.041	0.043	8.994	-0.075	-0.075	0.000	0.000	0.000	0.000
264	A	285	GLY	0	-0.001	-0.022	12.050	-0.019	-0.019	0.000	0.000	0.000	0.000
265	A	286	TYR	0	-0.113	-0.076	14.571	-0.022	-0.022	0.000	0.000	0.000	0.000
266	A	287	TRP	0	-0.012	-0.045	13.390	-0.004	-0.004	0.000	0.000	0.000	0.000
267	A	288	ALA	0	-0.063	-0.014	13.067	-0.050	-0.050	0.000	0.000	0.000	0.000
268	A	289	ASN	0	-0.051	-0.044	9.144	0.121	0.121	0.000	0.000	0.000	0.000
269	A	290	GLY	0	-0.061	-0.015	11.879	-0.020	-0.020	0.000	0.000	0.000	0.000
270	A	291	ARG	1	0.843	0.902	13.078	0.091	0.091	0.000	0.000	0.000	0.000
271	A	292	ARG	1	0.772	0.895	12.195	-0.116	-0.116	0.000	0.000	0.000	0.000
272	A	293	PRO	0	-0.064	-0.020	8.074	0.001	0.001	0.000	0.000	0.000	0.000
273	A	294	LEU	0	-0.005	0.001	11.031	0.021	0.021	0.000	0.000	0.000	0.000
274	A	295	ALA	0	0.038	-0.006	11.022	0.067	0.067	0.000	0.000	0.000	0.000
275	A	296	LEU	0	-0.005	0.007	12.064	-0.051	-0.051	0.000	0.000	0.000	0.000
276	A	297	VAL	0	-0.002	0.001	13.869	-0.034	-0.034	0.000	0.000	0.000	0.000
277	A	298	ARG	1	0.849	0.924	15.642	-0.116	-0.116	0.000	0.000	0.000	0.000
278	A	299	THR	0	0.007	-0.004	16.483	-0.016	-0.016	0.000	0.000	0.000	0.000
279	A	300	HIS	0	-0.027	-0.024	18.710	-0.016	-0.016	0.000	0.000	0.000	0.000
280	A	301	SER	0	0.012	-0.017	18.190	-0.005	-0.005	0.000	0.000	0.000	0.000
281	A	302	LYS	1	0.879	0.925	9.082	-0.606	-0.606	0.000	0.000	0.000	0.000
282	A	303	LYS	1	0.846	0.922	13.807	-0.142	-0.142	0.000	0.000	0.000	0.000
283	A	304	ALA	0	0.019	0.001	15.648	0.025	0.025	0.000	0.000	0.000	0.000
284	A	305	LEU	0	-0.022	0.003	10.969	0.003	0.003	0.000	0.000	0.000	0.000
285	A	306	MET	0	0.023	0.002	8.176	-0.008	-0.008	0.000	0.000	0.000	0.000
286	A	307	ARG	1	0.822	0.925	12.394	-0.224	-0.224	0.000	0.000	0.000	0.000
287	A	308	TYR	0	-0.013	-0.037	13.314	-0.009	-0.009	0.000	0.000	0.000	0.000
288	A	309	GLU	-1	-1.005	-1.005	6.855	1.285	1.285	0.000	0.000	0.000	0.000
289	A	310	ASP	-1	-0.918	-0.946	9.969	0.985	0.985	0.000	0.000	0.000	0.000
290	A	311	VAL	0	-0.045	-0.016	12.018	-0.064	-0.064	0.000	0.000	0.000	0.000
291	A	312	TYR	0	-0.011	-0.002	14.197	-0.029	-0.029	0.000	0.000	0.000	0.000
292	A	313	MET	0	0.049	0.022	15.171	-0.041	-0.041	0.000	0.000	0.000	0.000
293	A	314	PRO	0	-0.003	-0.005	17.851	-0.004	-0.004	0.000	0.000	0.000	0.000
294	A	315	GLU	-1	-0.758	-0.888	18.790	0.175	0.175	0.000	0.000	0.000	0.000
295	A	316	VAL	0	0.013	0.013	18.433	-0.016	-0.016	0.000	0.000	0.000	0.000
296	A	317	TYR	0	-0.023	-0.021	12.150	-0.006	-0.006	0.000	0.000	0.000	0.000
297	A	318	LYS	1	0.781	0.890	17.388	-0.183	-0.183	0.000	0.000	0.000	0.000
298	A	319	ALA	0	0.040	0.026	20.277	-0.020	-0.020	0.000	0.000	0.000	0.000
299	A	320	ILE	0	-0.022	-0.020	17.460	-0.018	-0.018	0.000	0.000	0.000	0.000
300	A	321	ASN	0	-0.004	-0.012	15.584	-0.031	-0.031	0.000	0.000	0.000	0.000
301	A	322	ILE	0	0.002	0.020	19.649	-0.020	-0.020	0.000	0.000	0.000	0.000
302	A	323	ALA	0	-0.009	0.000	23.139	-0.015	-0.015	0.000	0.000	0.000	0.000
303	A	324	GLN	0	-0.004	0.003	16.262	-0.012	-0.012	0.000	0.000	0.000	0.000
304	A	325	ASN	0	-0.022	-0.020	21.837	-0.025	-0.025	0.000	0.000	0.000	0.000
305	A	326	THR	0	0.000	0.029	23.286	-0.010	-0.010	0.000	0.000	0.000	0.000
306	A	327	ALA	0	-0.053	-0.013	26.538	-0.004	-0.004	0.000	0.000	0.000	0.000
307	A	328	TRP	0	0.036	0.001	27.945	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	329	LYS	1	0.818	0.918	30.713	-0.018	-0.018	0.000	0.000	0.000	0.000
309	A	330	ILE	0	0.031	0.025	32.415	0.004	0.004	0.000	0.000	0.000	0.000
310	A	331	ASN	0	-0.021	-0.009	35.469	-0.004	-0.004	0.000	0.000	0.000	0.000
311	A	332	LYS	1	0.908	0.931	38.728	0.013	0.013	0.000	0.000	0.000	0.000
312	A	333	LYS	1	0.859	0.944	41.018	-0.009	-0.009	0.000	0.000	0.000	0.000
313	A	334	VAL	0	0.062	0.037	41.174	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	335	LEU	0	-0.011	-0.011	38.162	0.000	0.000	0.000	0.000	0.000	0.000
315	A	336	ALA	0	-0.056	-0.025	41.401	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	337	VAL	0	0.031	0.023	44.767	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	338	ALA	0	0.010	0.010	41.904	0.000	0.000	0.000	0.000	0.000	0.000
318	A	339	ASN	0	-0.020	-0.024	41.415	0.001	0.001	0.000	0.000	0.000	0.000
319	A	340	VAL	0	-0.032	-0.003	44.060	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	341	ILE	0	0.066	0.029	47.082	0.000	0.000	0.000	0.000	0.000	0.000
321	A	342	THR	0	-0.055	-0.021	42.927	0.000	0.000	0.000	0.000	0.000	0.000
322	A	343	LYS	1	0.810	0.906	43.155	0.005	0.005	0.000	0.000	0.000	0.000
323	A	344	TRP	0	-0.010	0.003	48.001	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	345	LYS	1	0.865	0.939	50.746	0.004	0.004	0.000	0.000	0.000	0.000
325	A	346	HIS	0	0.032	0.016	53.165	0.000	0.000	0.000	0.000	0.000	0.000
326	A	347	CYS	0	-0.082	-0.016	48.295	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	348	PRO	0	0.039	0.019	50.783	0.001	0.001	0.000	0.000	0.000	0.000
328	A	349	VAL	0	0.016	0.008	45.673	0.001	0.001	0.000	0.000	0.000	0.000
329	A	350	GLU	-1	-0.875	-0.948	48.421	0.016	0.016	0.000	0.000	0.000	0.000
330	A	351	ASP	-1	-0.843	-0.890	43.541	0.022	0.022	0.000	0.000	0.000	0.000
331	A	352	ILE	0	-0.064	-0.032	43.367	0.000	0.000	0.000	0.000	0.000	0.000
332	A	353	PRO	0	-0.062	-0.027	42.405	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	354	ALA	0	0.067	0.029	45.689	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	355	ILE	0	-0.032	-0.028	47.625	0.000	0.000	0.000	0.000	0.000	0.000
335	A	356	GLU	-1	-0.875	-0.942	49.346	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	357	ARG	1	0.793	0.884	49.827	0.001	0.001	0.000	0.000	0.000	0.000
337	A	358	GLU	-1	-0.856	-0.925	50.223	0.009	0.009	0.000	0.000	0.000	0.000
338	A	359	GLU	-1	-0.872	-0.932	53.783	0.002	0.002	0.000	0.000	0.000	0.000
339	A	360	LEU	0	-0.031	-0.012	53.293	0.001	0.001	0.000	0.000	0.000	0.000
340	A	361	PRO	0	0.002	0.000	56.664	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	362	MET	0	-0.007	0.011	59.589	0.000	0.000	0.000	0.000	0.000	0.000
342	A	363	LYS	1	0.925	0.974	58.909	-0.004	-0.004	0.000	0.000	0.000	0.000
343	A	364	PRO	0	0.027	-0.001	63.746	0.000	0.000	0.000	0.000	0.000	0.000
344	A	365	GLU	-1	-0.899	-0.936	66.967	0.004	0.004	0.000	0.000	0.000	0.000
345	A	366	ASP	-1	-0.902	-0.953	68.921	0.005	0.005	0.000	0.000	0.000	0.000
346	A	367	ILE	0	-0.059	-0.054	63.806	0.001	0.001	0.000	0.000	0.000	0.000
347	A	368	ASP	-1	-0.933	-0.964	66.444	0.006	0.006	0.000	0.000	0.000	0.000
348	A	369	MET	0	-0.023	0.003	68.238	0.001	0.001	0.000	0.000	0.000	0.000
349	A	370	ASN	0	-0.015	-0.030	64.979	0.000	0.000	0.000	0.000	0.000	0.000
350	A	371	PRO	0	0.013	0.038	66.509	0.001	0.001	0.000	0.000	0.000	0.000
351	A	372	GLU	-1	-0.838	-0.920	62.454	0.014	0.014	0.000	0.000	0.000	0.000
352	A	373	ALA	0	0.012	-0.011	62.888	0.000	0.000	0.000	0.000	0.000	0.000
353	A	374	LEU	0	0.033	0.026	61.624	0.000	0.000	0.000	0.000	0.000	0.000
354	A	375	THR	0	-0.063	-0.034	58.843	0.000	0.000	0.000	0.000	0.000	0.000
355	A	376	ALA	0	0.027	0.002	58.247	0.001	0.001	0.000	0.000	0.000	0.000
356	A	377	TRP	0	0.004	-0.007	57.523	0.000	0.000	0.000	0.000	0.000	0.000
357	A	378	LYS	1	0.865	0.923	55.149	-0.013	-0.013	0.000	0.000	0.000	0.000
358	A	379	ARG	1	0.799	0.877	53.833	-0.019	-0.019	0.000	0.000	0.000	0.000
359	A	380	ALA	0	0.019	0.012	53.896	0.001	0.001	0.000	0.000	0.000	0.000
360	A	381	ALA	0	0.022	0.006	54.513	0.000	0.000	0.000	0.000	0.000	0.000
361	A	382	ALA	0	0.000	0.001	50.460	0.000	0.000	0.000	0.000	0.000	0.000
362	A	383	ALA	0	-0.033	-0.020	49.654	0.001	0.001	0.000	0.000	0.000	0.000
363	A	384	VAL	0	0.047	0.021	49.632	0.001	0.001	0.000	0.000	0.000	0.000
364	A	385	TYR	0	0.004	0.007	48.014	0.000	0.000	0.000	0.000	0.000	0.000
365	A	386	ARG	1	0.946	0.980	44.786	-0.022	-0.022	0.000	0.000	0.000	0.000
366	A	387	LYS	1	0.971	0.978	45.116	-0.017	-0.017	0.000	0.000	0.000	0.000
367	A	388	ASP	-1	-0.748	-0.848	46.103	0.006	0.006	0.000	0.000	0.000	0.000
368	A	389	LYS	1	0.798	0.891	39.005	-0.018	-0.018	0.000	0.000	0.000	0.000
369	A	390	ALA	0	0.018	0.004	41.387	0.000	0.000	0.000	0.000	0.000	0.000
370	A	391	ARG	1	0.774	0.883	41.841	-0.006	-0.006	0.000	0.000	0.000	0.000
371	A	392	LYS	1	0.881	0.928	41.945	-0.007	-0.007	0.000	0.000	0.000	0.000
372	A	393	SER	0	0.030	0.014	37.453	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	394	ARG	1	0.832	0.882	37.973	-0.020	-0.020	0.000	0.000	0.000	0.000
374	A	395	ARG	1	0.815	0.898	39.457	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	396	ILE	0	-0.014	-0.014	35.393	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	397	SER	0	0.008	-0.002	34.104	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	398	LEU	0	0.003	0.008	35.475	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	399	GLU	-1	-0.811	-0.907	37.760	-0.005	-0.005	0.000	0.000	0.000	0.000
379	A	400	PHE	0	-0.009	0.000	31.094	-0.003	-0.003	0.000	0.000	0.000	0.000
380	A	401	MET	0	-0.058	-0.014	30.845	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	402	LEU	0	0.048	0.030	34.388	-0.002	-0.002	0.000	0.000	0.000	0.000
382	A	403	GLU	-1	-0.845	-0.863	32.085	-0.023	-0.023	0.000	0.000	0.000	0.000
383	A	404	GLN	0	0.040	-0.019	27.941	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	405	ALA	0	-0.012	-0.009	32.461	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	406	ASN	0	-0.040	-0.051	34.759	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	407	LYS	1	0.732	0.873	28.295	0.036	0.036	0.000	0.000	0.000	0.000
387	A	408	PHE	0	0.008	-0.010	27.225	-0.004	-0.004	0.000	0.000	0.000	0.000
388	A	409	ALA	0	0.014	0.022	32.536	0.002	0.002	0.000	0.000	0.000	0.000
389	A	410	ASN	0	-0.045	-0.038	35.424	0.004	0.004	0.000	0.000	0.000	0.000
390	A	411	HIS	0	-0.026	0.004	29.304	0.003	0.003	0.000	0.000	0.000	0.000
391	A	412	LYS	1	0.835	0.908	31.859	0.009	0.009	0.000	0.000	0.000	0.000
392	A	413	ALA	0	0.012	-0.010	29.182	0.006	0.006	0.000	0.000	0.000	0.000
393	A	414	ILE	0	0.007	0.025	26.986	-0.008	-0.008	0.000	0.000	0.000	0.000
394	A	415	TRP	0	0.021	0.011	23.157	0.000	0.000	0.000	0.000	0.000	0.000
395	A	416	PHE	0	-0.001	-0.005	23.267	-0.008	-0.008	0.000	0.000	0.000	0.000
396	A	417	PRO	0	0.044	0.033	17.906	0.009	0.009	0.000	0.000	0.000	0.000
397	A	418	TYR	0	-0.005	-0.011	18.768	-0.006	-0.006	0.000	0.000	0.000	0.000
398	A	419	ASN	0	-0.045	-0.024	15.659	0.008	0.008	0.000	0.000	0.000	0.000
399	A	420	MET	0	0.061	0.051	17.612	-0.018	-0.018	0.000	0.000	0.000	0.000
400	A	421	ASP	-1	-0.815	-0.882	19.257	0.148	0.148	0.000	0.000	0.000	0.000
401	A	422	TRP	0	0.037	-0.008	20.567	0.007	0.007	0.000	0.000	0.000	0.000
402	A	423	ARG	1	0.821	0.931	21.606	-0.116	-0.116	0.000	0.000	0.000	0.000
403	A	424	GLY	0	0.058	0.027	21.664	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	425	ARG	1	0.753	0.859	22.741	-0.097	-0.097	0.000	0.000	0.000	0.000
405	A	426	VAL	0	0.028	0.013	22.359	0.009	0.009	0.000	0.000	0.000	0.000
406	A	427	TYR	0	-0.068	-0.052	22.378	-0.016	-0.016	0.000	0.000	0.000	0.000
407	A	428	ALA	0	0.000	0.015	22.040	0.009	0.009	0.000	0.000	0.000	0.000
408	A	429	VAL	0	-0.056	-0.038	18.442	0.000	0.000	0.000	0.000	0.000	0.000
409	A	430	SER	0	-0.018	-0.007	21.804	-0.003	-0.003	0.000	0.000	0.000	0.000
410	A	431	MET	0	-0.018	0.002	24.149	0.003	0.003	0.000	0.000	0.000	0.000
411	A	432	PHE	0	0.023	0.012	27.264	0.002	0.002	0.000	0.000	0.000	0.000
412	A	433	ASN	0	0.002	-0.017	26.882	0.002	0.002	0.000	0.000	0.000	0.000
413	A	434	PRO	0	0.051	0.009	27.862	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	435	GLN	0	-0.029	-0.028	26.753	0.002	0.002	0.000	0.000	0.000	0.000
415	A	436	GLY	0	-0.010	0.016	30.727	0.001	0.001	0.000	0.000	0.000	0.000
416	A	437	ASN	0	0.041	0.026	32.862	0.000	0.000	0.000	0.000	0.000	0.000
417	A	438	ASP	-1	-0.661	-0.841	36.584	0.022	0.022	0.000	0.000	0.000	0.000
418	A	439	MET	0	0.025	0.023	38.121	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	440	THR	0	-0.058	-0.052	32.598	-0.002	-0.002	0.000	0.000	0.000	0.000
420	A	441	LYS	1	0.938	0.968	34.269	-0.042	-0.042	0.000	0.000	0.000	0.000
421	A	442	GLY	0	0.051	0.043	36.070	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	443	LEU	0	-0.068	-0.038	36.155	-0.003	-0.003	0.000	0.000	0.000	0.000
423	A	444	LEU	0	-0.048	0.002	31.211	-0.004	-0.004	0.000	0.000	0.000	0.000
424	A	445	THR	0	0.014	-0.001	34.784	0.003	0.003	0.000	0.000	0.000	0.000
425	A	446	LEU	0	0.063	0.041	31.762	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	447	ALA	0	-0.069	-0.046	31.661	-0.004	-0.004	0.000	0.000	0.000	0.000
427	A	448	LYS	1	0.846	0.902	28.339	-0.043	-0.043	0.000	0.000	0.000	0.000
428	A	449	GLY	0	0.039	0.013	34.435	0.004	0.004	0.000	0.000	0.000	0.000
429	A	450	LYS	1	0.841	0.903	35.987	-0.040	-0.040	0.000	0.000	0.000	0.000
430	A	451	PRO	0	-0.022	-0.017	40.461	0.000	0.000	0.000	0.000	0.000	0.000
431	A	452	ILE	0	-0.039	-0.013	44.104	0.002	0.002	0.000	0.000	0.000	0.000
432	A	453	GLY	0	0.039	0.015	45.242	0.002	0.002	0.000	0.000	0.000	0.000
433	A	454	LYS	1	0.879	0.910	48.118	-0.028	-0.028	0.000	0.000	0.000	0.000
434	A	455	GLU	-1	-0.814	-0.906	46.340	0.032	0.032	0.000	0.000	0.000	0.000
435	A	456	GLY	0	0.069	0.035	44.739	0.001	0.001	0.000	0.000	0.000	0.000
436	A	457	TYR	0	-0.035	-0.042	45.473	0.000	0.000	0.000	0.000	0.000	0.000
437	A	458	TYR	0	0.011	0.008	48.156	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	459	TRP	0	0.104	0.023	44.008	0.000	0.000	0.000	0.000	0.000	0.000
439	A	460	LEU	0	-0.036	-0.008	44.212	0.000	0.000	0.000	0.000	0.000	0.000
440	A	461	LYS	1	0.853	0.914	45.861	-0.021	-0.021	0.000	0.000	0.000	0.000
441	A	462	ILE	0	0.004	0.025	45.868	0.000	0.000	0.000	0.000	0.000	0.000
442	A	463	HIS	0	0.022	0.016	40.114	0.002	0.002	0.000	0.000	0.000	0.000
443	A	464	GLY	0	0.048	0.018	44.889	0.000	0.000	0.000	0.000	0.000	0.000
444	A	465	ALA	0	-0.004	-0.030	47.438	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	466	ASN	0	-0.004	-0.005	43.444	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	467	CYS	0	-0.074	-0.014	43.727	0.000	0.000	0.000	0.000	0.000	0.000
447	A	468	ALA	0	0.022	0.033	45.652	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	469	GLY	0	0.066	0.018	48.043	0.001	0.001	0.000	0.000	0.000	0.000
449	A	470	VAL	0	-0.082	-0.028	50.065	0.001	0.001	0.000	0.000	0.000	0.000
450	A	471	ASP	-1	-0.722	-0.861	46.608	0.036	0.036	0.000	0.000	0.000	0.000
451	A	472	LYS	1	0.738	0.846	47.460	-0.033	-0.033	0.000	0.000	0.000	0.000
452	A	473	VAL	0	0.023	0.019	50.677	0.000	0.000	0.000	0.000	0.000	0.000
453	A	474	PRO	0	0.082	0.044	51.610	0.001	0.001	0.000	0.000	0.000	0.000
454	A	475	PHE	0	0.018	-0.001	46.436	-0.002	-0.002	0.000	0.000	0.000	0.000
455	A	476	PRO	0	0.032	0.016	51.943	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	477	GLU	-1	-0.852	-0.936	55.404	0.024	0.024	0.000	0.000	0.000	0.000
457	A	478	ARG	1	0.795	0.909	46.718	-0.036	-0.036	0.000	0.000	0.000	0.000
458	A	479	ILE	0	-0.044	-0.031	50.861	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	480	LYS	1	0.834	0.908	53.916	-0.019	-0.019	0.000	0.000	0.000	0.000
460	A	481	PHE	0	0.031	0.007	52.060	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	482	ILE	0	-0.008	0.000	50.818	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	483	GLU	-1	-0.853	-0.916	54.442	0.018	0.018	0.000	0.000	0.000	0.000
463	A	484	GLU	-1	-0.877	-0.911	57.435	0.017	0.017	0.000	0.000	0.000	0.000
464	A	485	ASN	0	-0.036	-0.014	56.213	-0.002	-0.002	0.000	0.000	0.000	0.000
465	A	486	HIS	0	0.018	0.040	56.685	0.000	0.000	0.000	0.000	0.000	0.000
466	A	487	GLU	-1	-0.847	-0.951	57.182	0.010	0.010	0.000	0.000	0.000	0.000
467	A	488	ASN	0	-0.036	-0.012	57.110	-0.002	-0.002	0.000	0.000	0.000	0.000
468	A	489	ILE	0	0.022	0.000	51.732	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	490	MET	0	-0.062	-0.024	53.559	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	491	ALA	0	0.025	0.021	55.388	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	492	CYS	0	-0.064	-0.019	52.121	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	493	ALA	0	-0.047	-0.020	50.865	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	494	LYS	1	0.902	0.954	51.797	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	495	SER	0	-0.006	-0.003	54.537	-0.002	-0.002	0.000	0.000	0.000	0.000
475	A	496	PRO	0	0.026	0.035	49.925	0.000	0.000	0.000	0.000	0.000	0.000
476	A	497	LEU	0	-0.024	-0.021	50.219	0.000	0.000	0.000	0.000	0.000	0.000
477	A	498	GLU	-1	-0.930	-0.956	53.559	0.002	0.002	0.000	0.000	0.000	0.000
478	A	499	ASN	0	-0.045	-0.028	56.093	0.001	0.001	0.000	0.000	0.000	0.000
479	A	500	THR	0	0.000	-0.021	53.479	0.000	0.000	0.000	0.000	0.000	0.000
480	A	501	TRP	0	0.081	0.037	53.792	0.001	0.001	0.000	0.000	0.000	0.000
481	A	502	TRP	0	0.001	-0.027	46.671	0.001	0.001	0.000	0.000	0.000	0.000
482	A	503	ALA	0	-0.087	-0.042	49.295	0.001	0.001	0.000	0.000	0.000	0.000
483	A	504	GLU	-1	-0.871	-0.945	50.318	0.013	0.013	0.000	0.000	0.000	0.000
484	A	505	GLN	0	-0.098	-0.051	49.055	0.002	0.002	0.000	0.000	0.000	0.000
485	A	506	ASP	-1	-0.897	-0.947	45.485	0.029	0.029	0.000	0.000	0.000	0.000
486	A	507	SER	0	-0.056	-0.013	42.781	0.001	0.001	0.000	0.000	0.000	0.000
487	A	508	PRO	0	0.028	0.020	44.682	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	509	PHE	0	0.010	-0.023	41.946	-0.002	-0.002	0.000	0.000	0.000	0.000
489	A	510	CYS	0	-0.082	-0.049	40.176	0.000	0.000	0.000	0.000	0.000	0.000
490	A	511	PHE	0	0.053	0.030	42.475	0.000	0.000	0.000	0.000	0.000	0.000
491	A	512	LEU	0	-0.003	0.003	45.494	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	513	ALA	0	-0.035	-0.031	41.882	-0.001	-0.001	0.000	0.000	0.000	0.000
493	A	514	PHE	0	-0.010	0.003	43.933	0.000	0.000	0.000	0.000	0.000	0.000
494	A	515	CYS	0	-0.009	0.008	45.619	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	516	PHE	0	-0.019	-0.017	45.066	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	517	GLU	-1	-0.824	-0.895	42.947	0.010	0.010	0.000	0.000	0.000	0.000
497	A	518	TYR	0	-0.012	-0.019	46.327	0.000	0.000	0.000	0.000	0.000	0.000
498	A	519	ALA	0	0.068	0.017	49.533	0.000	0.000	0.000	0.000	0.000	0.000
499	A	520	GLY	0	-0.022	0.012	48.542	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	521	VAL	0	-0.003	-0.010	48.312	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	522	GLN	0	-0.004	0.008	50.583	0.000	0.000	0.000	0.000	0.000	0.000
502	A	523	HIS	0	-0.081	-0.035	52.546	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	524	HIS	0	-0.060	-0.028	50.134	-0.002	-0.002	0.000	0.000	0.000	0.000
504	A	525	GLY	0	0.045	0.035	52.184	0.000	0.000	0.000	0.000	0.000	0.000
505	A	526	LEU	0	-0.019	-0.026	50.148	0.000	0.000	0.000	0.000	0.000	0.000
506	A	527	SER	0	-0.022	0.007	48.401	0.001	0.001	0.000	0.000	0.000	0.000
507	A	528	TYR	0	-0.018	-0.037	45.106	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	529	ASN	0	-0.007	0.011	39.727	0.003	0.003	0.000	0.000	0.000	0.000
509	A	530	CYS	0	-0.036	0.008	42.161	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	531	SER	0	0.036	-0.020	36.740	0.001	0.001	0.000	0.000	0.000	0.000
511	A	532	LEU	0	0.021	0.014	37.277	0.001	0.001	0.000	0.000	0.000	0.000
512	A	533	PRO	0	-0.024	-0.017	35.087	0.001	0.001	0.000	0.000	0.000	0.000
513	A	534	LEU	0	-0.037	-0.015	37.222	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	535	ALA	0	-0.012	-0.014	37.460	0.003	0.003	0.000	0.000	0.000	0.000
515	A	536	PHE	0	-0.047	-0.009	37.787	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	537	ASP	-1	-0.782	-0.863	37.477	0.054	0.054	0.000	0.000	0.000	0.000
517	A	538	GLY	0	0.010	-0.002	37.960	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	539	SER	0	-0.048	-0.024	39.321	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	540	CYS	0	-0.058	-0.001	41.292	0.000	0.000	0.000	0.000	0.000	0.000
520	A	541	SER	0	0.016	0.006	35.007	0.002	0.002	0.000	0.000	0.000	0.000
521	A	542	GLY	0	0.054	0.014	36.626	0.001	0.001	0.000	0.000	0.000	0.000
522	A	543	ILE	0	0.033	0.009	37.514	0.001	0.001	0.000	0.000	0.000	0.000
523	A	544	GLN	0	-0.005	0.018	39.158	0.001	0.001	0.000	0.000	0.000	0.000
524	A	545	HIS	0	0.076	0.049	34.349	0.001	0.001	0.000	0.000	0.000	0.000
525	A	546	PHE	0	0.012	-0.007	37.462	0.002	0.002	0.000	0.000	0.000	0.000
526	A	547	SER	0	-0.003	-0.022	39.776	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	548	ALA	0	-0.018	0.002	39.111	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	549	MET	0	-0.043	-0.009	35.275	0.001	0.001	0.000	0.000	0.000	0.000
529	A	550	LEU	0	-0.027	-0.007	39.293	0.001	0.001	0.000	0.000	0.000	0.000
530	A	551	ARG	1	0.906	0.957	40.173	-0.080	-0.080	0.000	0.000	0.000	0.000
531	A	552	ASP	-1	-0.783	-0.877	44.699	0.053	0.053	0.000	0.000	0.000	0.000
532	A	553	GLU	-1	-0.782	-0.894	47.026	0.052	0.052	0.000	0.000	0.000	0.000
533	A	554	VAL	0	-0.022	-0.004	49.373	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	555	GLY	0	0.012	0.005	47.092	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	556	GLY	0	-0.001	-0.041	45.311	0.000	0.000	0.000	0.000	0.000	0.000
536	A	557	ARG	1	0.858	0.933	46.306	-0.041	-0.041	0.000	0.000	0.000	0.000
537	A	558	ALA	0	-0.012	0.006	48.238	-0.002	-0.002	0.000	0.000	0.000	0.000
538	A	559	VAL	0	-0.057	-0.020	43.091	0.000	0.000	0.000	0.000	0.000	0.000
539	A	560	ASN	0	0.014	-0.029	44.499	-0.003	-0.003	0.000	0.000	0.000	0.000
540	A	561	LEU	0	-0.008	0.003	41.585	0.000	0.000	0.000	0.000	0.000	0.000
541	A	562	LEU	0	0.014	0.018	45.358	0.001	0.001	0.000	0.000	0.000	0.000
542	A	563	PRO	0	0.005	0.014	48.859	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	564	SER	0	-0.051	-0.021	50.748	-0.002	-0.002	0.000	0.000	0.000	0.000
544	A	565	GLU	-1	-0.911	-0.952	53.238	0.031	0.031	0.000	0.000	0.000	0.000
545	A	566	THR	0	-0.026	-0.022	54.526	0.000	0.000	0.000	0.000	0.000	0.000
546	A	567	VAL	0	0.005	0.013	48.696	0.002	0.002	0.000	0.000	0.000	0.000
547	A	568	GLN	0	-0.048	-0.002	49.747	-0.002	-0.002	0.000	0.000	0.000	0.000
548	A	569	ASP	-1	-0.695	-0.843	48.954	0.040	0.040	0.000	0.000	0.000	0.000
549	A	570	ILE	0	0.048	0.024	45.614	-0.002	-0.002	0.000	0.000	0.000	0.000
550	A	571	TYR	0	0.072	0.009	42.683	0.000	0.000	0.000	0.000	0.000	0.000
551	A	572	GLY	0	0.011	0.000	49.518	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	573	ILE	0	-0.044	-0.026	51.428	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	574	VAL	0	0.049	0.029	49.420	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	575	ALA	0	-0.015	-0.008	52.769	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	576	LYS	1	0.955	0.985	54.922	-0.035	-0.035	0.000	0.000	0.000	0.000
556	A	577	LYS	1	0.886	0.934	55.190	-0.036	-0.036	0.000	0.000	0.000	0.000
557	A	578	VAL	0	0.015	0.013	54.328	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	579	ASN	0	-0.042	-0.044	57.439	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	580	GLU	-1	-0.877	-0.916	60.258	0.031	0.031	0.000	0.000	0.000	0.000
560	A	581	ILE	0	0.017	0.009	57.992	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	582	LEU	0	-0.027	0.000	59.569	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	583	GLN	0	-0.012	-0.019	63.057	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	584	ALA	0	-0.016	-0.001	64.756	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	585	ASP	-1	-0.761	-0.866	63.323	0.027	0.027	0.000	0.000	0.000	0.000
565	A	586	ALA	0	-0.024	0.000	66.481	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	587	ILE	0	-0.041	0.002	68.508	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	588	ASN	0	-0.050	-0.036	70.052	0.000	0.000	0.000	0.000	0.000	0.000
568	A	589	GLY	0	0.071	0.035	67.843	0.000	0.000	0.000	0.000	0.000	0.000
569	A	590	THR	0	-0.047	-0.012	66.211	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	591	ASP	-1	-0.853	-0.923	68.866	0.020	0.020	0.000	0.000	0.000	0.000
571	A	592	ASN	0	-0.051	-0.054	69.104	0.001	0.001	0.000	0.000	0.000	0.000
572	A	593	GLU	-1	-0.908	-0.936	69.181	0.021	0.021	0.000	0.000	0.000	0.000
573	A	594	VAL	0	-0.029	-0.025	70.291	0.000	0.000	0.000	0.000	0.000	0.000
574	A	595	VAL	0	-0.047	-0.016	70.408	0.000	0.000	0.000	0.000	0.000	0.000
575	A	596	THR	0	0.034	0.018	66.918	0.001	0.001	0.000	0.000	0.000	0.000
576	A	597	VAL	0	-0.033	-0.005	68.917	0.000	0.000	0.000	0.000	0.000	0.000
577	A	598	THR	0	-0.070	-0.046	70.741	0.000	0.000	0.000	0.000	0.000	0.000
578	A	599	ASP	-1	-0.924	-0.955	67.560	0.022	0.022	0.000	0.000	0.000	0.000
579	A	600	GLU	-1	-0.900	-0.945	70.202	0.020	0.020	0.000	0.000	0.000	0.000
580	A	601	ASN	0	-0.064	-0.042	72.336	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	602	THR	0	-0.026	-0.014	74.435	0.000	0.000	0.000	0.000	0.000	0.000
582	A	603	GLY	0	0.003	-0.012	73.109	0.000	0.000	0.000	0.000	0.000	0.000
583	A	604	GLU	-1	-0.825	-0.878	67.562	0.018	0.018	0.000	0.000	0.000	0.000
584	A	605	ILE	0	-0.027	-0.002	70.252	0.000	0.000	0.000	0.000	0.000	0.000
585	A	606	SER	0	-0.042	-0.066	66.371	0.000	0.000	0.000	0.000	0.000	0.000
586	A	607	GLU	-1	-0.818	-0.925	63.044	0.024	0.024	0.000	0.000	0.000	0.000
587	A	608	LYS	1	0.909	0.979	66.077	-0.017	-0.017	0.000	0.000	0.000	0.000
588	A	609	VAL	0	-0.055	-0.054	65.369	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	610	LYS	1	0.961	1.005	65.065	-0.022	-0.022	0.000	0.000	0.000	0.000
590	A	611	LEU	0	-0.091	-0.045	63.640	0.001	0.001	0.000	0.000	0.000	0.000
591	A	612	GLY	0	0.075	0.055	64.974	0.001	0.001	0.000	0.000	0.000	0.000
592	A	613	THR	0	-0.021	-0.066	62.717	0.000	0.000	0.000	0.000	0.000	0.000
593	A	614	LYS	1	0.913	0.999	64.950	-0.020	-0.020	0.000	0.000	0.000	0.000
594	A	615	ALA	0	-0.043	-0.017	67.299	0.000	0.000	0.000	0.000	0.000	0.000
595	A	616	LEU	0	-0.045	-0.029	60.990	0.000	0.000	0.000	0.000	0.000	0.000
596	A	617	ALA	0	0.007	0.001	62.753	0.000	0.000	0.000	0.000	0.000	0.000
597	A	618	GLY	0	0.030	0.013	64.012	0.000	0.000	0.000	0.000	0.000	0.000
598	A	619	GLN	0	-0.010	-0.016	62.654	0.000	0.000	0.000	0.000	0.000	0.000
599	A	620	TRP	0	-0.010	-0.028	54.958	0.000	0.000	0.000	0.000	0.000	0.000
600	A	621	LEU	0	0.003	0.015	61.357	0.000	0.000	0.000	0.000	0.000	0.000
601	A	622	ALA	0	-0.022	0.006	63.834	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	623	TYR	0	-0.123	-0.069	55.776	0.000	0.000	0.000	0.000	0.000	0.000
603	A	624	GLY	0	0.020	-0.008	60.011	0.000	0.000	0.000	0.000	0.000	0.000
604	A	625	VAL	0	-0.024	0.008	55.765	0.001	0.001	0.000	0.000	0.000	0.000
605	A	626	THR	0	0.070	0.032	55.405	0.000	0.000	0.000	0.000	0.000	0.000
606	A	627	ARG	1	0.914	0.912	47.654	-0.035	-0.035	0.000	0.000	0.000	0.000
607	A	628	SER	0	-0.006	-0.003	50.280	0.002	0.002	0.000	0.000	0.000	0.000
608	A	629	VAL	0	-0.002	0.008	49.902	0.001	0.001	0.000	0.000	0.000	0.000
609	A	630	THR	0	0.040	0.036	50.776	0.001	0.001	0.000	0.000	0.000	0.000
610	A	631	LYS	1	0.913	0.970	43.411	-0.042	-0.042	0.000	0.000	0.000	0.000
611	A	632	ARG	1	0.878	0.947	44.746	-0.030	-0.030	0.000	0.000	0.000	0.000
612	A	633	SER	0	0.005	-0.016	44.746	0.002	0.002	0.000	0.000	0.000	0.000
613	A	634	VAL	0	-0.036	-0.022	44.464	0.002	0.002	0.000	0.000	0.000	0.000
614	A	635	MET	0	-0.046	-0.033	40.191	0.001	0.001	0.000	0.000	0.000	0.000
615	A	636	THR	0	0.002	0.018	40.550	0.003	0.003	0.000	0.000	0.000	0.000
616	A	637	LEU	0	-0.047	-0.010	41.755	0.001	0.001	0.000	0.000	0.000	0.000
617	A	638	ALA	0	-0.050	-0.042	40.293	0.001	0.001	0.000	0.000	0.000	0.000
618	A	639	TYR	0	0.018	0.015	37.438	0.003	0.003	0.000	0.000	0.000	0.000
619	A	640	GLY	0	0.078	0.034	36.106	-0.003	-0.003	0.000	0.000	0.000	0.000
620	A	641	SER	0	-0.074	-0.035	35.278	0.004	0.004	0.000	0.000	0.000	0.000
621	A	642	LYS	1	0.930	0.996	37.257	-0.059	-0.059	0.000	0.000	0.000	0.000
622	A	643	GLU	-1	-0.913	-0.961	37.469	0.065	0.065	0.000	0.000	0.000	0.000
623	A	644	PHE	0	-0.041	-0.016	40.549	-0.003	-0.003	0.000	0.000	0.000	0.000
624	A	645	GLY	0	0.071	0.031	43.396	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	646	PHE	0	0.032	-0.003	45.721	0.000	0.000	0.000	0.000	0.000	0.000
626	A	647	ARG	1	1.038	1.020	46.709	-0.034	-0.034	0.000	0.000	0.000	0.000
627	A	648	GLN	0	-0.082	-0.027	45.918	-0.002	-0.002	0.000	0.000	0.000	0.000
628	A	649	GLN	0	0.125	0.054	42.219	0.000	0.000	0.000	0.000	0.000	0.000
629	A	650	VAL	0	0.032	0.019	47.265	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	651	LEU	0	-0.025	-0.018	50.286	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	652	GLU	-1	-0.951	-0.982	45.221	0.034	0.034	0.000	0.000	0.000	0.000
632	A	653	ASP	-1	-0.832	-0.906	47.161	0.033	0.033	0.000	0.000	0.000	0.000
633	A	654	THR	0	-0.062	-0.057	49.127	0.000	0.000	0.000	0.000	0.000	0.000
634	A	655	ILE	0	-0.007	0.004	52.597	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	656	GLN	0	0.003	0.030	52.348	-0.002	-0.002	0.000	0.000	0.000	0.000
636	A	657	PRO	0	0.032	0.024	50.981	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	658	ALA	0	-0.017	0.007	53.811	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	659	ILE	0	0.009	-0.004	57.061	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	660	ASP	-1	-0.867	-0.919	54.374	0.019	0.019	0.000	0.000	0.000	0.000
640	A	661	SER	0	-0.117	-0.062	56.679	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	662	GLY	0	0.000	0.010	58.517	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	663	LYS	1	0.912	0.961	60.054	-0.020	-0.020	0.000	0.000	0.000	0.000
643	A	664	GLY	0	0.061	0.007	60.415	0.000	0.000	0.000	0.000	0.000	0.000
644	A	665	LEU	0	0.021	0.008	61.236	0.000	0.000	0.000	0.000	0.000	0.000
645	A	666	MET	0	-0.042	0.005	62.585	0.000	0.000	0.000	0.000	0.000	0.000
646	A	667	PHE	0	-0.031	-0.016	58.819	0.001	0.001	0.000	0.000	0.000	0.000
647	A	668	THR	0	0.038	0.013	62.484	0.000	0.000	0.000	0.000	0.000	0.000
648	A	669	GLN	0	0.023	0.019	62.249	0.000	0.000	0.000	0.000	0.000	0.000
649	A	670	PRO	0	0.035	0.007	57.522	0.001	0.001	0.000	0.000	0.000	0.000
650	A	671	ASN	0	-0.004	-0.011	55.344	0.002	0.002	0.000	0.000	0.000	0.000
651	A	672	GLN	0	0.030	0.001	56.555	0.001	0.001	0.000	0.000	0.000	0.000
652	A	673	ALA	0	0.042	0.039	58.684	0.001	0.001	0.000	0.000	0.000	0.000
653	A	674	ALA	0	0.024	0.010	53.175	0.001	0.001	0.000	0.000	0.000	0.000
654	A	675	GLY	0	-0.078	-0.060	54.039	0.002	0.002	0.000	0.000	0.000	0.000
655	A	676	TYR	0	-0.032	-0.045	55.084	0.001	0.001	0.000	0.000	0.000	0.000
656	A	677	MET	0	0.018	0.018	53.727	0.001	0.001	0.000	0.000	0.000	0.000
657	A	678	ALA	0	-0.008	-0.001	50.599	0.001	0.001	0.000	0.000	0.000	0.000
658	A	679	LYS	1	0.840	0.910	51.786	-0.033	-0.033	0.000	0.000	0.000	0.000
659	A	680	LEU	0	0.073	0.047	53.963	0.001	0.001	0.000	0.000	0.000	0.000
660	A	681	ILE	0	0.014	0.014	49.408	0.001	0.001	0.000	0.000	0.000	0.000
661	A	682	TRP	0	-0.008	-0.008	45.072	0.002	0.002	0.000	0.000	0.000	0.000
662	A	683	GLU	-1	-0.814	-0.880	50.377	0.038	0.038	0.000	0.000	0.000	0.000
663	A	684	SER	0	-0.013	-0.022	53.024	0.000	0.000	0.000	0.000	0.000	0.000
664	A	685	VAL	0	-0.030	-0.019	47.327	0.000	0.000	0.000	0.000	0.000	0.000
665	A	686	SER	0	-0.037	-0.024	49.323	0.002	0.002	0.000	0.000	0.000	0.000
666	A	687	VAL	0	-0.015	-0.005	50.344	0.001	0.001	0.000	0.000	0.000	0.000
667	A	688	THR	0	-0.102	-0.054	50.070	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	689	VAL	0	-0.017	-0.021	45.694	0.001	0.001	0.000	0.000	0.000	0.000
669	A	690	VAL	0	0.042	0.029	46.900	0.002	0.002	0.000	0.000	0.000	0.000
670	A	691	ALA	0	0.064	0.032	46.213	0.002	0.002	0.000	0.000	0.000	0.000
671	A	692	ALA	0	0.016	0.008	42.606	0.003	0.003	0.000	0.000	0.000	0.000
672	A	693	VAL	0	0.000	-0.008	42.630	0.003	0.003	0.000	0.000	0.000	0.000
673	A	694	GLU	-1	-0.929	-0.961	43.952	0.063	0.063	0.000	0.000	0.000	0.000
674	A	695	ALA	0	0.071	0.033	40.155	0.002	0.002	0.000	0.000	0.000	0.000
675	A	696	MET	0	-0.068	-0.023	39.304	0.004	0.004	0.000	0.000	0.000	0.000
676	A	697	ASN	0	0.004	-0.009	39.810	0.003	0.003	0.000	0.000	0.000	0.000
677	A	698	TRP	0	0.057	0.058	37.423	0.000	0.000	0.000	0.000	0.000	0.000
678	A	699	LEU	0	0.016	0.003	34.615	0.003	0.003	0.000	0.000	0.000	0.000
679	A	700	LYS	1	0.821	0.901	36.569	-0.069	-0.069	0.000	0.000	0.000	0.000
680	A	701	SER	0	-0.049	-0.030	38.374	0.000	0.000	0.000	0.000	0.000	0.000
681	A	702	ALA	0	0.082	0.035	35.773	0.000	0.000	0.000	0.000	0.000	0.000
682	A	703	ALA	0	-0.022	-0.002	34.252	0.004	0.004	0.000	0.000	0.000	0.000
683	A	704	LYS	1	0.822	0.897	35.152	-0.069	-0.069	0.000	0.000	0.000	0.000
684	A	705	LEU	0	0.014	0.003	37.859	-0.002	-0.002	0.000	0.000	0.000	0.000
685	A	706	LEU	0	0.039	0.011	30.952	0.001	0.001	0.000	0.000	0.000	0.000
686	A	707	ALA	0	-0.038	-0.020	33.004	0.004	0.004	0.000	0.000	0.000	0.000
687	A	708	ALA	0	-0.040	-0.009	34.136	-0.003	-0.003	0.000	0.000	0.000	0.000
688	A	709	GLU	-1	-0.832	-0.927	34.772	0.093	0.093	0.000	0.000	0.000	0.000
689	A	710	VAL	0	-0.005	0.032	37.114	-0.004	-0.004	0.000	0.000	0.000	0.000
690	A	711	LYS	1	0.928	0.961	39.060	-0.060	-0.060	0.000	0.000	0.000	0.000
691	A	712	ASP	-1	-0.756	-0.868	42.234	0.058	0.058	0.000	0.000	0.000	0.000
692	A	713	LYS	1	0.823	0.902	45.698	-0.047	-0.047	0.000	0.000	0.000	0.000
693	A	714	LYS	1	0.892	0.929	47.159	-0.046	-0.046	0.000	0.000	0.000	0.000
694	A	715	THR	0	0.097	0.044	44.461	-0.001	-0.001	0.000	0.000	0.000	0.000
695	A	716	GLY	0	-0.051	-0.007	43.198	0.002	0.002	0.000	0.000	0.000	0.000
696	A	717	GLU	-1	-0.966	-0.975	38.755	0.073	0.073	0.000	0.000	0.000	0.000
697	A	718	ILE	0	-0.047	-0.030	34.961	0.001	0.001	0.000	0.000	0.000	0.000
698	A	719	LEU	0	0.009	0.005	35.844	0.002	0.002	0.000	0.000	0.000	0.000
699	A	720	ARG	1	0.776	0.824	32.509	-0.103	-0.103	0.000	0.000	0.000	0.000
700	A	721	LYS	1	0.919	0.957	30.392	-0.108	-0.108	0.000	0.000	0.000	0.000
701	A	722	ARG	1	0.734	0.862	31.821	-0.082	-0.082	0.000	0.000	0.000	0.000
702	A	723	CYM	-1	-0.759	-0.810	29.098	0.141	0.141	0.000	0.000	0.000	0.000
703	A	724	ALA	0	-0.106	-0.081	25.941	-0.006	-0.006	0.000	0.000	0.000	0.000
704	A	725	VAL	0	0.015	0.017	27.952	0.003	0.003	0.000	0.000	0.000	0.000
705	A	726	HIS	0	-0.039	-0.031	22.384	0.013	0.013	0.000	0.000	0.000	0.000
706	A	727	TRP	0	0.022	0.000	25.653	-0.011	-0.011	0.000	0.000	0.000	0.000
707	A	728	VAL	0	0.001	-0.007	23.384	0.015	0.015	0.000	0.000	0.000	0.000
708	A	729	THR	0	-0.044	0.001	24.500	-0.015	-0.015	0.000	0.000	0.000	0.000
709	A	730	PRO	0	0.111	0.049	25.995	0.011	0.011	0.000	0.000	0.000	0.000
710	A	731	ASP	-1	-0.820	-0.882	24.155	0.188	0.188	0.000	0.000	0.000	0.000
711	A	732	GLY	0	0.019	0.007	22.521	0.013	0.013	0.000	0.000	0.000	0.000
712	A	733	PHE	0	-0.021	-0.022	18.182	0.027	0.027	0.000	0.000	0.000	0.000
713	A	734	PRO	0	0.005	0.029	18.835	-0.020	-0.020	0.000	0.000	0.000	0.000
714	A	735	VAL	0	0.027	0.016	20.910	0.009	0.009	0.000	0.000	0.000	0.000
715	A	736	TRP	0	0.061	0.023	18.087	-0.003	-0.003	0.000	0.000	0.000	0.000
716	A	737	GLN	0	-0.069	-0.032	23.530	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	738	GLU	-1	-0.707	-0.853	21.532	0.203	0.203	0.000	0.000	0.000	0.000
718	A	739	TYR	0	0.029	0.033	25.912	0.003	0.003	0.000	0.000	0.000	0.000
719	A	740	LYS	1	0.838	0.915	23.339	-0.165	-0.165	0.000	0.000	0.000	0.000
720	A	741	LYS	1	0.853	0.936	28.740	-0.080	-0.080	0.000	0.000	0.000	0.000
721	A	742	PRO	0	-0.002	-0.014	28.636	0.003	0.003	0.000	0.000	0.000	0.000
722	A	743	ILE	0	-0.001	0.014	28.942	-0.006	-0.006	0.000	0.000	0.000	0.000
723	A	744	GLN	0	-0.041	-0.033	30.092	-0.003	-0.003	0.000	0.000	0.000	0.000
724	A	745	THR	0	0.029	0.013	31.192	-0.003	-0.003	0.000	0.000	0.000	0.000
725	A	746	ARG	1	0.903	0.942	33.942	-0.021	-0.021	0.000	0.000	0.000	0.000
726	A	747	LEU	0	-0.005	0.030	30.612	-0.002	-0.002	0.000	0.000	0.000	0.000
727	A	748	ASN	0	0.012	-0.015	35.017	0.001	0.001	0.000	0.000	0.000	0.000
728	A	749	LEU	0	-0.040	-0.019	33.456	-0.003	-0.003	0.000	0.000	0.000	0.000
729	A	750	MET	0	-0.021	0.015	37.763	0.002	0.002	0.000	0.000	0.000	0.000
730	A	751	PHE	0	0.041	0.003	36.778	-0.002	-0.002	0.000	0.000	0.000	0.000
731	A	752	LEU	0	0.079	0.033	40.448	0.001	0.001	0.000	0.000	0.000	0.000
732	A	753	GLY	0	-0.051	-0.021	42.374	0.000	0.000	0.000	0.000	0.000	0.000
733	A	754	GLN	0	-0.015	-0.003	44.385	0.000	0.000	0.000	0.000	0.000	0.000
734	A	755	PHE	0	0.001	-0.006	42.248	0.001	0.001	0.000	0.000	0.000	0.000
735	A	756	ARG	1	0.916	0.947	41.954	-0.005	-0.005	0.000	0.000	0.000	0.000
736	A	757	LEU	0	0.044	0.046	36.808	0.002	0.002	0.000	0.000	0.000	0.000
737	A	758	GLN	0	-0.026	-0.026	38.208	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	759	PRO	0	0.033	0.034	34.160	0.002	0.002	0.000	0.000	0.000	0.000
739	A	760	THR	0	0.024	0.009	35.049	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	761	ILE	0	0.010	0.000	28.963	0.000	0.000	0.000	0.000	0.000	0.000
741	A	762	ASN	0	0.038	0.023	28.538	-0.003	-0.003	0.000	0.000	0.000	0.000
742	A	763	THR	0	0.004	-0.017	26.059	0.001	0.001	0.000	0.000	0.000	0.000
743	A	764	ASN	0	-0.037	-0.018	21.031	0.002	0.002	0.000	0.000	0.000	0.000
744	A	765	LYS	1	0.945	0.981	22.773	-0.095	-0.095	0.000	0.000	0.000	0.000
745	A	766	ASP	-1	-0.770	-0.898	23.667	0.145	0.145	0.000	0.000	0.000	0.000
746	A	767	SER	0	-0.043	-0.022	26.789	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	768	GLU	-1	-0.845	-0.920	30.016	0.083	0.083	0.000	0.000	0.000	0.000
748	A	769	ILE	0	0.052	0.019	28.015	-0.002	-0.002	0.000	0.000	0.000	0.000
749	A	770	ASP	-1	-0.872	-0.938	30.643	0.071	0.071	0.000	0.000	0.000	0.000
750	A	771	ALA	0	0.035	0.011	33.047	0.002	0.002	0.000	0.000	0.000	0.000
751	A	772	HIS	0	0.038	0.024	35.475	0.002	0.002	0.000	0.000	0.000	0.000
752	A	773	LYS	1	0.908	0.947	32.648	-0.071	-0.071	0.000	0.000	0.000	0.000
753	A	774	GLN	0	0.013	0.036	28.817	0.003	0.003	0.000	0.000	0.000	0.000
754	A	775	GLU	-1	-0.799	-0.893	32.979	0.075	0.075	0.000	0.000	0.000	0.000
755	A	776	SER	0	-0.068	-0.050	35.828	-0.003	-0.003	0.000	0.000	0.000	0.000
756	A	777	GLY	0	0.016	0.012	32.772	-0.003	-0.003	0.000	0.000	0.000	0.000
757	A	778	ILE	0	-0.019	0.000	31.269	0.002	0.002	0.000	0.000	0.000	0.000
758	A	779	ALA	0	0.058	0.030	32.877	0.003	0.003	0.000	0.000	0.000	0.000
759	A	780	PRO	0	0.006	-0.002	33.735	0.002	0.002	0.000	0.000	0.000	0.000
760	A	781	ASN	0	-0.034	-0.037	28.806	0.002	0.002	0.000	0.000	0.000	0.000
761	A	782	PHE	0	0.057	0.035	29.229	0.007	0.007	0.000	0.000	0.000	0.000
762	A	783	VAL	0	0.044	0.017	31.055	0.003	0.003	0.000	0.000	0.000	0.000
763	A	784	HIS	0	-0.074	-0.032	29.357	-0.002	-0.002	0.000	0.000	0.000	0.000
764	A	785	SER	0	-0.015	0.010	26.369	0.005	0.005	0.000	0.000	0.000	0.000
765	A	786	GLN	0	0.002	0.004	27.679	0.009	0.009	0.000	0.000	0.000	0.000
766	A	787	ASP	-1	-0.782	-0.874	30.421	0.100	0.100	0.000	0.000	0.000	0.000
767	A	788	GLY	0	0.026	0.006	26.831	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	789	SER	0	-0.032	-0.032	26.180	0.001	0.001	0.000	0.000	0.000	0.000
769	A	790	HIS	0	0.025	0.030	27.128	0.003	0.003	0.000	0.000	0.000	0.000
770	A	791	LEU	0	-0.009	0.007	26.772	-0.003	-0.003	0.000	0.000	0.000	0.000
771	A	792	ARG	1	0.785	0.864	22.143	-0.180	-0.180	0.000	0.000	0.000	0.000
772	A	793	LYS	1	0.884	0.923	26.173	-0.122	-0.122	0.000	0.000	0.000	0.000
773	A	794	THR	0	-0.021	-0.031	28.236	-0.007	-0.007	0.000	0.000	0.000	0.000
774	A	795	VAL	0	-0.078	-0.031	25.589	-0.006	-0.006	0.000	0.000	0.000	0.000
775	A	796	VAL	0	0.010	0.007	24.530	-0.005	-0.005	0.000	0.000	0.000	0.000
776	A	797	TRP	0	0.001	-0.004	27.234	-0.004	-0.004	0.000	0.000	0.000	0.000
777	A	798	ALA	0	-0.015	-0.023	30.856	-0.006	-0.006	0.000	0.000	0.000	0.000
778	A	799	HIS	0	-0.113	-0.069	26.440	-0.003	-0.003	0.000	0.000	0.000	0.000
779	A	800	GLU	-1	-0.833	-0.905	26.021	0.130	0.130	0.000	0.000	0.000	0.000
780	A	801	LYS	1	0.874	0.973	30.325	-0.076	-0.076	0.000	0.000	0.000	0.000
781	A	802	TYR	0	-0.073	-0.069	33.894	-0.008	-0.008	0.000	0.000	0.000	0.000
782	A	803	GLY	0	0.055	0.026	33.467	0.002	0.002	0.000	0.000	0.000	0.000
783	A	804	ILE	0	-0.051	-0.012	31.886	-0.005	-0.005	0.000	0.000	0.000	0.000
784	A	805	GLU	-1	-0.842	-0.901	29.513	0.046	0.046	0.000	0.000	0.000	0.000
785	A	806	SER	0	-0.073	-0.048	28.770	0.001	0.001	0.000	0.000	0.000	0.000
786	A	807	PHE	0	0.077	0.024	28.308	0.001	0.001	0.000	0.000	0.000	0.000
787	A	808	ALA	0	-0.026	-0.016	29.632	-0.002	-0.002	0.000	0.000	0.000	0.000
788	A	809	LEU	0	0.000	0.010	26.341	0.001	0.001	0.000	0.000	0.000	0.000
789	A	810	ILE	0	0.009	-0.011	29.286	0.000	0.000	0.000	0.000	0.000	0.000
790	A	811	HIS	0	0.010	0.005	26.413	0.001	0.001	0.000	0.000	0.000	0.000
791	A	812	ASP	-1	-0.827	-0.907	30.695	0.079	0.079	0.000	0.000	0.000	0.000
792	A	813	SER	0	-0.029	-0.025	33.479	-0.005	-0.005	0.000	0.000	0.000	0.000
793	A	814	PHE	0	-0.031	-0.029	31.182	0.004	0.004	0.000	0.000	0.000	0.000
794	A	815	GLY	0	0.083	0.029	33.505	-0.004	-0.004	0.000	0.000	0.000	0.000
795	A	816	THR	0	-0.061	-0.040	33.580	0.004	0.004	0.000	0.000	0.000	0.000
796	A	817	ILE	0	-0.035	0.021	35.479	-0.003	-0.003	0.000	0.000	0.000	0.000
797	A	818	PRO	0	0.035	0.002	37.976	0.002	0.002	0.000	0.000	0.000	0.000
798	A	819	ALA	0	-0.018	-0.007	40.639	0.001	0.001	0.000	0.000	0.000	0.000
799	A	820	ASP	-1	-0.832	-0.891	36.906	0.043	0.043	0.000	0.000	0.000	0.000
800	A	821	ALA	0	0.008	0.010	38.645	0.004	0.004	0.000	0.000	0.000	0.000
801	A	822	ALA	0	0.046	0.018	40.232	0.003	0.003	0.000	0.000	0.000	0.000
802	A	823	ASN	0	0.005	0.004	38.264	0.001	0.001	0.000	0.000	0.000	0.000
803	A	824	LEU	0	-0.013	0.008	34.150	0.004	0.004	0.000	0.000	0.000	0.000
804	A	825	PHE	0	-0.020	-0.014	37.371	0.004	0.004	0.000	0.000	0.000	0.000
805	A	826	LYS	1	0.871	0.929	40.237	-0.057	-0.057	0.000	0.000	0.000	0.000
806	A	827	ALA	0	0.000	-0.005	34.712	0.003	0.003	0.000	0.000	0.000	0.000
807	A	828	VAL	0	0.008	-0.001	34.736	0.005	0.005	0.000	0.000	0.000	0.000
808	A	829	ARG	1	0.904	0.947	36.371	-0.051	-0.051	0.000	0.000	0.000	0.000
809	A	830	GLU	-1	-0.735	-0.835	37.279	0.070	0.070	0.000	0.000	0.000	0.000
810	A	831	THR	0	-0.004	0.013	32.269	0.005	0.005	0.000	0.000	0.000	0.000
811	A	832	MET	0	-0.047	0.004	34.479	0.006	0.006	0.000	0.000	0.000	0.000
812	A	833	VAL	0	-0.052	-0.035	36.379	0.002	0.002	0.000	0.000	0.000	0.000
813	A	834	ASP	-1	-0.835	-0.917	33.307	0.109	0.109	0.000	0.000	0.000	0.000
814	A	835	THR	0	-0.016	-0.010	31.759	0.007	0.007	0.000	0.000	0.000	0.000
815	A	836	TYR	0	0.018	-0.019	34.110	0.004	0.004	0.000	0.000	0.000	0.000
816	A	837	GLU	-1	-0.853	-0.889	36.964	0.072	0.072	0.000	0.000	0.000	0.000
817	A	838	SER	0	-0.034	-0.012	34.403	-0.003	-0.003	0.000	0.000	0.000	0.000
818	A	839	CYS	0	-0.036	-0.013	32.265	0.008	0.008	0.000	0.000	0.000	0.000
819	A	840	ASP	-1	-0.820	-0.880	34.739	0.086	0.086	0.000	0.000	0.000	0.000
820	A	841	VAL	0	0.062	0.014	32.079	0.002	0.002	0.000	0.000	0.000	0.000
821	A	842	LEU	0	-0.022	-0.008	33.540	0.004	0.004	0.000	0.000	0.000	0.000
822	A	843	ALA	0	0.020	0.018	35.831	0.002	0.002	0.000	0.000	0.000	0.000
823	A	844	ASP	-1	-0.860	-0.939	31.137	0.131	0.131	0.000	0.000	0.000	0.000
824	A	845	PHE	0	-0.095	-0.061	30.715	0.007	0.007	0.000	0.000	0.000	0.000
825	A	846	TYR	0	0.018	-0.011	32.547	0.000	0.000	0.000	0.000	0.000	0.000
826	A	847	ASP	-1	-0.951	-0.967	33.035	0.117	0.117	0.000	0.000	0.000	0.000
827	A	848	GLN	0	-0.088	-0.043	26.658	0.016	0.016	0.000	0.000	0.000	0.000
828	A	849	PHE	0	-0.091	-0.051	30.175	0.004	0.004	0.000	0.000	0.000	0.000
829	A	850	ALA	0	-0.002	0.001	32.553	-0.008	-0.008	0.000	0.000	0.000	0.000
830	A	851	ASP	-1	-0.913	-0.965	31.641	0.127	0.127	0.000	0.000	0.000	0.000
831	A	852	GLN	0	-0.044	-0.045	28.382	-0.005	-0.005	0.000	0.000	0.000	0.000
832	A	853	LEU	0	-0.048	0.019	31.062	-0.003	-0.003	0.000	0.000	0.000	0.000
833	A	854	HIS	0	-0.008	-0.009	33.619	-0.005	-0.005	0.000	0.000	0.000	0.000
834	A	855	GLU	-1	-0.799	-0.886	37.228	0.093	0.093	0.000	0.000	0.000	0.000
835	A	856	SER	0	-0.071	-0.022	38.364	-0.002	-0.002	0.000	0.000	0.000	0.000
836	A	857	GLN	0	-0.046	-0.059	42.057	0.002	0.002	0.000	0.000	0.000	0.000
837	A	858	LEU	0	0.018	0.035	40.637	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	859	ASP	-1	-0.750	-0.877	42.346	0.061	0.061	0.000	0.000	0.000	0.000
839	A	860	LYS	1	0.790	0.886	44.680	-0.057	-0.057	0.000	0.000	0.000	0.000
840	A	861	MET	0	-0.064	-0.010	38.689	-0.001	-0.001	0.000	0.000	0.000	0.000
841	A	862	PRO	0	0.020	-0.020	42.011	0.000	0.000	0.000	0.000	0.000	0.000
842	A	863	ALA	0	-0.010	0.019	43.298	-0.002	-0.002	0.000	0.000	0.000	0.000
843	A	864	LEU	0	0.007	0.011	38.866	-0.001	-0.001	0.000	0.000	0.000	0.000
844	A	865	PRO	0	0.007	0.013	41.639	-0.002	-0.002	0.000	0.000	0.000	0.000
845	A	866	ALA	0	-0.015	-0.011	44.225	0.002	0.002	0.000	0.000	0.000	0.000
846	A	867	LYS	1	0.819	0.894	41.077	-0.080	-0.080	0.000	0.000	0.000	0.000
847	A	868	GLY	0	0.000	-0.016	45.849	-0.002	-0.002	0.000	0.000	0.000	0.000
848	A	869	ASN	0	-0.089	-0.068	48.187	0.001	0.001	0.000	0.000	0.000	0.000
849	A	870	LEU	0	-0.062	-0.003	44.288	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	871	ASN	0	-0.006	-0.011	46.823	0.005	0.005	0.000	0.000	0.000	0.000
851	A	872	LEU	0	-0.003	-0.010	40.299	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	873	ARG	1	0.850	0.886	40.963	-0.071	-0.071	0.000	0.000	0.000	0.000
853	A	874	ASP	-1	-0.848	-0.913	45.152	0.050	0.050	0.000	0.000	0.000	0.000
854	A	875	ILE	0	-0.045	-0.027	41.242	-0.002	-0.002	0.000	0.000	0.000	0.000
855	A	876	LEU	0	-0.084	-0.052	41.112	0.000	0.000	0.000	0.000	0.000	0.000
856	A	877	GLU	-1	-0.925	-0.958	44.293	0.045	0.045	0.000	0.000	0.000	0.000
857	A	878	SER	0	-0.073	-0.034	45.632	-0.003	-0.003	0.000	0.000	0.000	0.000
858	A	879	ASP	-1	-0.827	-0.931	45.640	0.041	0.041	0.000	0.000	0.000	0.000
859	A	880	PHE	0	-0.030	-0.035	45.959	0.000	0.000	0.000	0.000	0.000	0.000
860	A	881	ALA	0	-0.032	0.018	43.285	0.001	0.001	0.000	0.000	0.000	0.000
861	A	882	PHE	0	-0.036	-0.005	40.153	0.002	0.002	0.000	0.000	0.000	0.000
862	A	883	ALA	0	0.057	0.027	36.176	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:6:ILE)