FMO DATABASE

FMODB ID: 2NG8R

Calculation Name: 4YPJ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4YPJ

Chain ID: A

ChEMBL ID:

UniProt ID: E5RWQ2

Base Structure: X-ray

Registration Date: 2023-09-23

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	810
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22394719.185692
FMO2-HF: Nuclear repulsion	22079773.295391
FMO2-HF: Total energy	-314945.8903
FMO2-MP2: Total energy	-315881.580833

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:38:SER)

Summations of interaction energy for fragment #1(A:38:SER)

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.
-15.986	-9.842	7.446	-6.187	-7.402	-0.023

Interaction energy analysis for fragmet #1(A:38:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.053 / q_NPA : -0.031

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	40	SER	0	-0.030	-0.013	3.470	-3.798	-1.994	-0.023	-0.837	-0.945	0.002
4	A	41	TYR	0	-0.060	-0.046	6.135	0.894	0.894	0.000	0.000	0.000	0.000
5	A	42	ASP	-1	-0.926	-0.963	7.918	-1.108	-1.108	0.000	0.000	0.000	0.000
6	A	43	GLY	0	0.001	0.005	11.019	0.176	0.176	0.000	0.000	0.000	0.000
7	A	44	GLU	-1	-0.871	-0.916	11.285	-0.886	-0.886	0.000	0.000	0.000	0.000
8	A	45	ARG	1	0.842	0.879	13.934	0.082	0.082	0.000	0.000	0.000	0.000
9	A	46	ARG	1	0.888	0.949	15.087	0.120	0.120	0.000	0.000	0.000	0.000
10	A	47	VAL	0	0.032	0.027	8.969	-0.060	-0.060	0.000	0.000	0.000	0.000
11	A	48	ASN	0	0.014	0.005	12.376	0.237	0.237	0.000	0.000	0.000	0.000
12	A	49	PHE	0	0.064	0.016	6.814	-0.046	-0.046	0.000	0.000	0.000	0.000
13	A	50	ASN	0	0.034	0.006	11.057	0.262	0.262	0.000	0.000	0.000	0.000
14	A	51	GLU	-1	-0.859	-0.905	8.863	-0.448	-0.448	0.000	0.000	0.000	0.000
15	A	52	ASN	0	-0.030	-0.011	7.069	0.292	0.292	0.000	0.000	0.000	0.000
16	A	53	TRP	0	0.042	0.027	8.932	0.435	0.435	0.000	0.000	0.000	0.000
17	A	54	ARG	1	0.829	0.928	11.689	-0.567	-0.567	0.000	0.000	0.000	0.000
18	A	55	PHE	0	-0.010	-0.020	14.034	0.014	0.014	0.000	0.000	0.000	0.000
19	A	56	GLN	0	0.008	0.011	17.641	-0.048	-0.048	0.000	0.000	0.000	0.000
20	A	57	ARG	1	0.950	0.984	20.918	-0.105	-0.105	0.000	0.000	0.000	0.000
21	A	58	GLU	-1	-0.839	-0.913	24.274	0.207	0.207	0.000	0.000	0.000	0.000
22	A	59	THR	0	-0.021	-0.020	26.818	-0.011	-0.011	0.000	0.000	0.000	0.000
23	A	60	ASN	0	-0.034	-0.018	29.279	-0.015	-0.015	0.000	0.000	0.000	0.000
24	A	61	GLY	0	0.049	0.033	31.101	0.001	0.001	0.000	0.000	0.000	0.000
25	A	62	SER	0	-0.069	-0.028	27.859	0.012	0.012	0.000	0.000	0.000	0.000
26	A	63	ILE	0	0.004	0.001	22.385	-0.005	-0.005	0.000	0.000	0.000	0.000
27	A	64	ALA	0	0.009	-0.002	23.991	0.022	0.022	0.000	0.000	0.000	0.000
28	A	65	GLY	0	0.007	-0.004	22.272	0.007	0.007	0.000	0.000	0.000	0.000
29	A	66	ALA	0	0.036	0.029	19.327	0.042	0.042	0.000	0.000	0.000	0.000
30	A	67	GLN	0	0.024	0.010	17.933	0.046	0.046	0.000	0.000	0.000	0.000
31	A	68	ASN	0	-0.028	-0.011	17.778	0.043	0.043	0.000	0.000	0.000	0.000
32	A	69	PRO	0	0.039	-0.001	13.565	0.007	0.007	0.000	0.000	0.000	0.000
33	A	70	GLY	0	-0.008	-0.012	13.983	0.037	0.037	0.000	0.000	0.000	0.000
34	A	71	PHE	0	-0.041	0.015	16.247	-0.045	-0.045	0.000	0.000	0.000	0.000
35	A	72	ASP	-1	-0.780	-0.879	15.331	0.379	0.379	0.000	0.000	0.000	0.000
36	A	73	ASP	-1	-0.844	-0.901	12.887	0.661	0.661	0.000	0.000	0.000	0.000
37	A	74	SER	0	-0.020	-0.042	14.327	-0.019	-0.019	0.000	0.000	0.000	0.000
38	A	75	SER	0	-0.002	-0.006	15.327	-0.038	-0.038	0.000	0.000	0.000	0.000
39	A	76	TRP	0	-0.053	-0.025	16.215	-0.010	-0.010	0.000	0.000	0.000	0.000
40	A	77	ARG	1	0.859	0.898	16.202	-0.105	-0.105	0.000	0.000	0.000	0.000
41	A	78	LYS	1	0.926	0.945	9.643	-0.125	-0.125	0.000	0.000	0.000	0.000
42	A	79	LEU	0	-0.063	-0.022	13.596	-0.078	-0.078	0.000	0.000	0.000	0.000
43	A	80	ASN	0	-0.021	-0.019	12.123	0.166	0.166	0.000	0.000	0.000	0.000
44	A	81	LEU	0	0.007	0.031	14.317	-0.014	-0.014	0.000	0.000	0.000	0.000
45	A	82	PRO	0	-0.001	-0.010	16.253	-0.042	-0.042	0.000	0.000	0.000	0.000
46	A	83	HIS	0	-0.026	-0.037	18.878	0.012	0.012	0.000	0.000	0.000	0.000
47	A	84	ASP	-1	-0.706	-0.828	20.713	0.092	0.092	0.000	0.000	0.000	0.000
48	A	85	TRP	0	-0.020	-0.017	22.993	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	86	SER	0	-0.053	-0.035	24.763	-0.003	-0.003	0.000	0.000	0.000	0.000
50	A	87	ILE	0	-0.001	0.014	26.508	-0.007	-0.007	0.000	0.000	0.000	0.000
51	A	88	GLU	-1	-0.769	-0.831	23.157	0.082	0.082	0.000	0.000	0.000	0.000
52	A	89	LEU	0	-0.069	-0.019	27.730	-0.002	-0.002	0.000	0.000	0.000	0.000
53	A	90	ASP	-1	-0.826	-0.891	30.380	0.031	0.031	0.000	0.000	0.000	0.000
54	A	91	PHE	0	-0.043	-0.027	33.871	0.006	0.006	0.000	0.000	0.000	0.000
55	A	92	ASN	0	-0.015	-0.024	35.918	-0.006	-0.006	0.000	0.000	0.000	0.000
56	A	93	LYS	1	0.948	0.969	37.984	-0.030	-0.030	0.000	0.000	0.000	0.000
57	A	94	ASN	0	-0.054	-0.038	40.486	-0.002	-0.002	0.000	0.000	0.000	0.000
58	A	95	SER	0	-0.006	-0.005	35.732	0.003	0.003	0.000	0.000	0.000	0.000
59	A	96	LEU	0	0.038	0.008	36.297	-0.004	-0.004	0.000	0.000	0.000	0.000
60	A	97	ALA	0	-0.022	0.001	35.654	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	98	THR	0	-0.073	-0.036	37.654	-0.006	-0.006	0.000	0.000	0.000	0.000
62	A	99	HIS	0	0.104	0.041	39.984	0.000	0.000	0.000	0.000	0.000	0.000
63	A	100	GLU	-1	-0.869	-0.921	40.987	0.044	0.044	0.000	0.000	0.000	0.000
64	A	101	GLY	0	0.057	0.025	36.938	-0.002	-0.002	0.000	0.000	0.000	0.000
65	A	102	GLY	0	0.016	-0.002	35.864	0.003	0.003	0.000	0.000	0.000	0.000
66	A	103	TYR	0	-0.074	-0.040	37.194	-0.003	-0.003	0.000	0.000	0.000	0.000
67	A	104	LEU	0	0.049	0.033	32.084	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	105	ASP	-1	-0.791	-0.858	31.990	0.082	0.082	0.000	0.000	0.000	0.000
69	A	106	GLY	0	0.036	0.053	29.458	0.002	0.002	0.000	0.000	0.000	0.000
70	A	107	GLY	0	-0.036	-0.030	29.292	0.004	0.004	0.000	0.000	0.000	0.000
71	A	108	ILE	0	0.006	-0.004	25.225	0.007	0.007	0.000	0.000	0.000	0.000
72	A	109	GLY	0	0.011	0.015	23.361	-0.007	-0.007	0.000	0.000	0.000	0.000
73	A	110	TRP	0	-0.048	-0.048	19.259	0.025	0.025	0.000	0.000	0.000	0.000
74	A	111	TYR	0	0.024	-0.012	15.677	-0.017	-0.017	0.000	0.000	0.000	0.000
75	A	112	ARG	1	0.779	0.865	13.125	-0.637	-0.637	0.000	0.000	0.000	0.000
76	A	113	LYS	1	0.845	0.935	6.934	-1.258	-1.258	0.000	0.000	0.000	0.000
77	A	114	THR	0	0.036	0.017	6.327	-0.079	-0.079	0.000	0.000	0.000	0.000
78	A	115	PHE	0	-0.033	-0.014	3.674	0.536	1.083	0.014	-0.224	-0.336	0.001
79	A	116	THR	0	0.046	0.017	2.291	-10.032	-7.958	4.915	-3.067	-3.922	-0.004
80	A	117	ILE	0	0.012	0.002	2.402	-2.138	-1.010	2.529	-1.925	-1.731	-0.022
81	A	118	PRO	0	0.031	0.019	3.281	0.784	1.299	0.012	-0.121	-0.406	0.000
82	A	119	GLU	-1	-0.781	-0.896	4.374	0.747	0.823	-0.001	-0.013	-0.062	0.000
83	A	120	SER	0	-0.019	-0.012	7.160	-0.025	-0.025	0.000	0.000	0.000	0.000
84	A	121	MET	0	-0.016	0.014	6.867	0.122	0.122	0.000	0.000	0.000	0.000
85	A	122	LYS	1	0.854	0.921	8.485	-0.927	-0.927	0.000	0.000	0.000	0.000
86	A	123	GLY	0	-0.047	-0.022	11.540	-0.091	-0.091	0.000	0.000	0.000	0.000
87	A	124	LYS	1	0.868	0.944	12.661	0.028	0.028	0.000	0.000	0.000	0.000
88	A	125	ARG	1	0.788	0.893	14.637	-0.141	-0.141	0.000	0.000	0.000	0.000
89	A	126	ILE	0	0.027	-0.006	9.839	-0.043	-0.043	0.000	0.000	0.000	0.000
90	A	127	SER	0	-0.010	-0.010	13.896	0.050	0.050	0.000	0.000	0.000	0.000
91	A	128	LEU	0	-0.018	0.005	12.294	-0.014	-0.014	0.000	0.000	0.000	0.000
92	A	129	ASP	-1	-0.798	-0.850	14.556	0.118	0.118	0.000	0.000	0.000	0.000
93	A	130	PHE	0	0.011	-0.006	16.004	0.004	0.004	0.000	0.000	0.000	0.000
94	A	131	ASP	-1	-0.739	-0.881	18.956	0.014	0.014	0.000	0.000	0.000	0.000
95	A	132	GLY	0	-0.032	-0.025	21.483	-0.019	-0.019	0.000	0.000	0.000	0.000
96	A	133	VAL	0	-0.028	-0.010	20.448	0.013	0.013	0.000	0.000	0.000	0.000
97	A	134	TYR	0	0.010	0.034	23.406	-0.005	-0.005	0.000	0.000	0.000	0.000
98	A	135	MET	0	0.014	-0.017	26.111	0.000	0.000	0.000	0.000	0.000	0.000
99	A	136	ASN	0	-0.106	-0.039	26.908	0.012	0.012	0.000	0.000	0.000	0.000
100	A	137	SER	0	-0.015	0.012	22.122	0.016	0.016	0.000	0.000	0.000	0.000
101	A	138	THR	0	0.045	0.018	22.346	-0.018	-0.018	0.000	0.000	0.000	0.000
102	A	139	THR	0	-0.018	0.001	16.771	0.027	0.027	0.000	0.000	0.000	0.000
103	A	140	TYR	0	0.018	-0.009	17.650	-0.040	-0.040	0.000	0.000	0.000	0.000
104	A	141	LEU	0	-0.005	-0.008	11.153	0.086	0.086	0.000	0.000	0.000	0.000
105	A	142	ASN	0	-0.025	-0.029	11.465	0.052	0.052	0.000	0.000	0.000	0.000
106	A	143	GLY	0	-0.004	-0.014	14.705	-0.053	-0.053	0.000	0.000	0.000	0.000
107	A	144	GLU	-1	-0.894	-0.908	17.842	0.342	0.342	0.000	0.000	0.000	0.000
108	A	145	VAL	0	-0.051	-0.039	18.763	0.039	0.039	0.000	0.000	0.000	0.000
109	A	146	LEU	0	-0.047	-0.030	15.407	-0.011	-0.011	0.000	0.000	0.000	0.000
110	A	147	GLY	0	0.029	0.006	20.061	-0.032	-0.032	0.000	0.000	0.000	0.000
111	A	148	THR	0	-0.029	-0.022	22.565	0.023	0.023	0.000	0.000	0.000	0.000
112	A	149	TYR	0	-0.038	-0.032	24.046	-0.013	-0.013	0.000	0.000	0.000	0.000
113	A	150	PRO	0	0.030	0.015	25.926	0.001	0.001	0.000	0.000	0.000	0.000
114	A	151	PHE	0	0.022	0.014	29.083	-0.005	-0.005	0.000	0.000	0.000	0.000
115	A	152	GLY	0	0.033	0.004	27.533	0.010	0.010	0.000	0.000	0.000	0.000
116	A	153	TYR	0	-0.038	-0.006	27.670	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	154	ASN	0	-0.017	-0.012	27.425	-0.021	-0.021	0.000	0.000	0.000	0.000
118	A	155	ALA	0	-0.007	0.010	22.870	0.015	0.015	0.000	0.000	0.000	0.000
119	A	156	PHE	0	-0.042	-0.018	20.338	0.004	0.004	0.000	0.000	0.000	0.000
120	A	157	SER	0	-0.066	-0.067	18.812	0.012	0.012	0.000	0.000	0.000	0.000
121	A	158	TYR	0	0.041	0.021	17.250	-0.006	-0.006	0.000	0.000	0.000	0.000
122	A	159	ASP	-1	-0.783	-0.858	16.762	0.328	0.328	0.000	0.000	0.000	0.000
123	A	160	ILE	0	-0.052	-0.049	11.222	0.042	0.042	0.000	0.000	0.000	0.000
124	A	161	SER	0	0.012	-0.008	13.815	0.081	0.081	0.000	0.000	0.000	0.000
125	A	162	ASP	-1	-0.911	-0.967	14.256	0.413	0.413	0.000	0.000	0.000	0.000
126	A	163	LYS	1	0.897	0.958	14.662	-0.422	-0.422	0.000	0.000	0.000	0.000
127	A	164	LEU	0	-0.002	0.013	8.412	0.094	0.094	0.000	0.000	0.000	0.000
128	A	165	TYR	0	-0.026	-0.026	10.205	-0.199	-0.199	0.000	0.000	0.000	0.000
129	A	166	LYS	1	0.911	0.946	9.627	-0.433	-0.433	0.000	0.000	0.000	0.000
130	A	167	ASP	-1	-0.836	-0.937	11.066	0.936	0.936	0.000	0.000	0.000	0.000
131	A	168	GLY	0	0.000	0.015	6.686	0.035	0.035	0.000	0.000	0.000	0.000
132	A	169	ARG	1	0.874	0.959	7.187	-0.801	-0.801	0.000	0.000	0.000	0.000
133	A	170	ALA	0	-0.007	-0.014	6.634	0.305	0.305	0.000	0.000	0.000	0.000
134	A	171	ASN	0	0.014	0.024	6.729	-0.812	-0.812	0.000	0.000	0.000	0.000
135	A	172	VAL	0	-0.015	0.000	8.211	0.358	0.358	0.000	0.000	0.000	0.000
136	A	173	LEU	0	0.008	0.020	10.773	-0.191	-0.191	0.000	0.000	0.000	0.000
137	A	174	VAL	0	-0.038	-0.022	12.474	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	175	VAL	0	0.031	0.022	15.720	-0.043	-0.043	0.000	0.000	0.000	0.000
139	A	176	LYS	1	0.903	0.979	18.268	-0.263	-0.263	0.000	0.000	0.000	0.000
140	A	177	VAL	0	0.023	0.002	21.141	-0.013	-0.013	0.000	0.000	0.000	0.000
141	A	178	ASN	0	0.006	0.009	23.777	-0.020	-0.020	0.000	0.000	0.000	0.000
142	A	179	ASN	0	0.035	0.012	27.495	-0.013	-0.013	0.000	0.000	0.000	0.000
143	A	180	THR	0	0.002	-0.010	29.618	-0.009	-0.009	0.000	0.000	0.000	0.000
144	A	181	GLN	0	-0.023	0.019	32.633	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	182	PRO	0	-0.001	-0.016	35.459	0.001	0.001	0.000	0.000	0.000	0.000
146	A	183	SER	0	0.033	-0.015	33.020	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	184	SER	0	-0.009	-0.020	34.966	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	185	ARG	1	0.794	0.894	37.103	-0.039	-0.039	0.000	0.000	0.000	0.000
149	A	186	TRP	0	0.004	0.006	34.475	-0.006	-0.006	0.000	0.000	0.000	0.000
150	A	187	TYR	0	-0.059	-0.045	29.077	0.008	0.008	0.000	0.000	0.000	0.000
151	A	188	SER	0	-0.026	-0.023	30.767	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	189	GLY	0	0.071	0.042	28.540	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	190	SER	0	-0.050	-0.027	26.586	0.004	0.004	0.000	0.000	0.000	0.000
154	A	191	GLY	0	0.034	0.019	22.598	-0.001	-0.001	0.000	0.000	0.000	0.000
155	A	192	ILE	0	-0.021	-0.003	16.931	-0.009	-0.009	0.000	0.000	0.000	0.000
156	A	193	TYR	0	-0.013	-0.014	19.927	-0.013	-0.013	0.000	0.000	0.000	0.000
157	A	194	ARG	1	0.843	0.906	21.678	-0.098	-0.098	0.000	0.000	0.000	0.000
158	A	195	ASN	0	-0.006	0.016	18.091	0.029	0.029	0.000	0.000	0.000	0.000
159	A	196	VAL	0	0.026	0.005	13.802	0.031	0.031	0.000	0.000	0.000	0.000
160	A	197	TYR	0	-0.074	-0.050	13.587	-0.069	-0.069	0.000	0.000	0.000	0.000
161	A	198	LEU	0	-0.015	0.005	8.165	0.121	0.121	0.000	0.000	0.000	0.000
162	A	199	THR	0	-0.028	-0.032	12.617	-0.154	-0.154	0.000	0.000	0.000	0.000
163	A	200	VAL	0	-0.037	-0.021	11.111	0.082	0.082	0.000	0.000	0.000	0.000
164	A	201	THR	0	-0.001	-0.016	14.456	-0.050	-0.050	0.000	0.000	0.000	0.000
165	A	202	ASP	-1	-0.833	-0.909	16.807	0.020	0.020	0.000	0.000	0.000	0.000
166	A	203	PRO	0	0.032	0.002	18.470	0.011	0.011	0.000	0.000	0.000	0.000
167	A	204	ILE	0	-0.037	0.016	20.958	0.010	0.010	0.000	0.000	0.000	0.000
168	A	205	HIS	1	0.800	0.877	21.501	-0.086	-0.086	0.000	0.000	0.000	0.000
169	A	206	VAL	0	0.015	0.006	23.620	0.014	0.014	0.000	0.000	0.000	0.000
170	A	207	ALA	0	-0.014	0.010	23.919	0.006	0.006	0.000	0.000	0.000	0.000
171	A	208	ARG	1	0.903	0.927	21.771	-0.113	-0.113	0.000	0.000	0.000	0.000
172	A	209	TYR	0	-0.088	-0.063	24.600	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	210	GLY	0	0.040	0.040	26.849	0.000	0.000	0.000	0.000	0.000	0.000
174	A	211	THR	0	-0.001	0.013	28.722	-0.004	-0.004	0.000	0.000	0.000	0.000
175	A	212	PHE	0	-0.012	-0.012	31.052	0.004	0.004	0.000	0.000	0.000	0.000
176	A	213	VAL	0	-0.002	0.007	33.816	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	214	THR	0	0.000	0.009	36.437	0.001	0.001	0.000	0.000	0.000	0.000
178	A	215	THR	0	0.040	0.005	40.070	-0.004	-0.004	0.000	0.000	0.000	0.000
179	A	216	PRO	0	0.017	0.007	43.273	0.001	0.001	0.000	0.000	0.000	0.000
180	A	217	ASN	0	-0.024	-0.017	46.144	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	218	LEU	0	0.070	0.054	44.960	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	219	GLU	-1	-0.859	-0.921	48.561	-0.013	-0.013	0.000	0.000	0.000	0.000
183	A	220	LYS	1	0.946	0.964	51.765	0.007	0.007	0.000	0.000	0.000	0.000
184	A	221	SER	0	0.032	0.001	48.995	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	222	ILE	0	0.013	0.004	48.344	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	223	LYS	1	0.786	0.887	51.285	0.012	0.012	0.000	0.000	0.000	0.000
187	A	224	GLU	-1	-0.897	-0.928	53.657	-0.019	-0.019	0.000	0.000	0.000	0.000
188	A	225	ASP	-1	-0.848	-0.947	50.906	-0.036	-0.036	0.000	0.000	0.000	0.000
189	A	226	ARG	1	0.730	0.830	48.350	0.017	0.017	0.000	0.000	0.000	0.000
190	A	227	ALA	0	-0.012	0.009	44.383	0.002	0.002	0.000	0.000	0.000	0.000
191	A	228	ASP	-1	-0.829	-0.883	44.914	-0.022	-0.022	0.000	0.000	0.000	0.000
192	A	229	VAL	0	-0.024	-0.020	38.762	0.001	0.001	0.000	0.000	0.000	0.000
193	A	230	ASN	0	-0.077	-0.050	40.768	0.002	0.002	0.000	0.000	0.000	0.000
194	A	231	ILE	0	0.027	0.005	34.630	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	232	LYS	1	0.811	0.891	36.082	0.000	0.000	0.000	0.000	0.000	0.000
196	A	233	THR	0	0.040	0.010	30.168	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	234	LYS	1	0.896	0.955	30.041	-0.016	-0.016	0.000	0.000	0.000	0.000
198	A	235	ILE	0	0.020	0.008	27.352	-0.003	-0.003	0.000	0.000	0.000	0.000
199	A	236	SER	0	0.016	0.008	24.860	0.003	0.003	0.000	0.000	0.000	0.000
200	A	237	ASN	0	-0.022	-0.016	25.803	-0.002	-0.002	0.000	0.000	0.000	0.000
201	A	238	ASP	-1	-0.786	-0.881	21.690	0.131	0.131	0.000	0.000	0.000	0.000
202	A	239	ALA	0	-0.035	-0.017	23.191	0.020	0.020	0.000	0.000	0.000	0.000
203	A	240	ALA	0	0.005	-0.004	24.366	0.000	0.000	0.000	0.000	0.000	0.000
204	A	241	GLU	-1	-0.870	-0.925	26.639	0.055	0.055	0.000	0.000	0.000	0.000
205	A	242	ALA	0	-0.033	-0.025	28.944	-0.004	-0.004	0.000	0.000	0.000	0.000
206	A	243	LYS	1	0.901	0.946	27.277	-0.045	-0.045	0.000	0.000	0.000	0.000
207	A	244	GLN	0	-0.022	0.009	30.905	0.006	0.006	0.000	0.000	0.000	0.000
208	A	245	VAL	0	-0.010	-0.017	29.282	-0.005	-0.005	0.000	0.000	0.000	0.000
209	A	246	LYS	1	0.870	0.944	31.442	0.042	0.042	0.000	0.000	0.000	0.000
210	A	247	ILE	0	-0.024	-0.013	29.765	-0.004	-0.004	0.000	0.000	0.000	0.000
211	A	248	LYS	1	0.848	0.918	30.305	0.088	0.088	0.000	0.000	0.000	0.000
212	A	249	SER	0	-0.034	-0.026	31.081	-0.006	-0.006	0.000	0.000	0.000	0.000
213	A	250	THR	0	0.014	0.009	31.899	0.006	0.006	0.000	0.000	0.000	0.000
214	A	251	ILE	0	-0.035	-0.012	32.777	-0.003	-0.003	0.000	0.000	0.000	0.000
215	A	252	TYR	0	0.039	0.017	30.633	0.000	0.000	0.000	0.000	0.000	0.000
216	A	253	ASP	-1	-0.811	-0.910	34.683	-0.082	-0.082	0.000	0.000	0.000	0.000
217	A	254	GLY	0	-0.016	-0.017	34.614	-0.006	-0.006	0.000	0.000	0.000	0.000
218	A	255	ALA	0	-0.068	-0.030	34.420	-0.007	-0.007	0.000	0.000	0.000	0.000
219	A	256	GLY	0	0.024	0.020	32.839	-0.009	-0.009	0.000	0.000	0.000	0.000
220	A	257	ASN	0	-0.085	-0.041	33.583	-0.005	-0.005	0.000	0.000	0.000	0.000
221	A	258	THR	0	-0.015	-0.019	34.651	0.001	0.001	0.000	0.000	0.000	0.000
222	A	259	VAL	0	-0.041	-0.020	36.728	0.004	0.004	0.000	0.000	0.000	0.000
223	A	260	GLN	0	-0.014	-0.007	37.808	0.004	0.004	0.000	0.000	0.000	0.000
224	A	261	THR	0	-0.012	-0.019	35.018	-0.007	-0.007	0.000	0.000	0.000	0.000
225	A	262	VAL	0	0.002	0.010	36.302	0.004	0.004	0.000	0.000	0.000	0.000
226	A	263	GLU	-1	-0.850	-0.910	34.013	-0.052	-0.052	0.000	0.000	0.000	0.000
227	A	264	THR	0	-0.063	-0.031	35.652	0.003	0.003	0.000	0.000	0.000	0.000
228	A	265	GLU	-1	-0.876	-0.936	37.215	-0.017	-0.017	0.000	0.000	0.000	0.000
229	A	266	GLU	-1	-0.908	-0.958	34.569	-0.008	-0.008	0.000	0.000	0.000	0.000
230	A	267	LYS	1	0.875	0.931	35.227	-0.010	-0.010	0.000	0.000	0.000	0.000
231	A	268	THR	0	-0.009	-0.013	34.496	0.000	0.000	0.000	0.000	0.000	0.000
232	A	269	ALA	0	-0.029	-0.002	30.703	0.002	0.002	0.000	0.000	0.000	0.000
233	A	270	ALA	0	0.033	0.015	31.379	0.004	0.004	0.000	0.000	0.000	0.000
234	A	271	ALA	0	0.029	0.015	29.103	0.001	0.001	0.000	0.000	0.000	0.000
235	A	272	GLY	0	0.013	0.019	27.733	0.001	0.001	0.000	0.000	0.000	0.000
236	A	273	THR	0	-0.067	-0.038	28.782	-0.002	-0.002	0.000	0.000	0.000	0.000
237	A	274	VAL	0	0.014	-0.006	28.663	-0.002	-0.002	0.000	0.000	0.000	0.000
238	A	275	THR	0	0.002	0.008	30.949	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	276	PRO	0	-0.033	-0.020	32.618	-0.005	-0.005	0.000	0.000	0.000	0.000
240	A	277	PHE	0	0.030	0.015	32.249	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	278	GLU	-1	-0.806	-0.885	36.100	0.002	0.002	0.000	0.000	0.000	0.000
242	A	279	GLN	0	0.015	0.025	35.663	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	280	ASN	0	-0.006	0.007	39.714	0.001	0.001	0.000	0.000	0.000	0.000
244	A	281	THR	0	0.080	0.034	39.357	-0.002	-0.002	0.000	0.000	0.000	0.000
245	A	282	VAL	0	-0.004	-0.004	42.656	0.003	0.003	0.000	0.000	0.000	0.000
246	A	283	ILE	0	-0.007	0.012	39.523	-0.004	-0.004	0.000	0.000	0.000	0.000
247	A	284	LYS	1	0.903	0.955	43.852	0.035	0.035	0.000	0.000	0.000	0.000
248	A	285	GLN	0	-0.006	0.006	45.975	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	286	PRO	0	-0.060	-0.008	44.215	-0.003	-0.003	0.000	0.000	0.000	0.000
250	A	287	LYS	1	0.962	0.977	42.097	0.063	0.063	0.000	0.000	0.000	0.000
251	A	288	LEU	0	-0.008	-0.014	42.562	0.000	0.000	0.000	0.000	0.000	0.000
252	A	289	TRP	0	-0.068	-0.020	37.613	0.000	0.000	0.000	0.000	0.000	0.000
253	A	290	SER	0	-0.027	-0.033	41.904	0.004	0.004	0.000	0.000	0.000	0.000
254	A	291	ILE	0	0.008	-0.002	42.478	-0.003	-0.003	0.000	0.000	0.000	0.000
255	A	292	ASP	-1	-0.874	-0.926	43.193	-0.042	-0.042	0.000	0.000	0.000	0.000
256	A	293	LYS	1	0.886	0.924	42.871	0.040	0.040	0.000	0.000	0.000	0.000
257	A	294	PRO	0	0.031	0.043	38.108	0.001	0.001	0.000	0.000	0.000	0.000
258	A	295	TYR	0	-0.019	-0.023	37.951	-0.007	-0.007	0.000	0.000	0.000	0.000
259	A	296	ARG	1	0.805	0.858	30.503	0.071	0.071	0.000	0.000	0.000	0.000
260	A	297	TYR	0	0.002	0.020	35.561	-0.005	-0.005	0.000	0.000	0.000	0.000
261	A	298	ASN	0	-0.016	-0.023	27.957	0.009	0.009	0.000	0.000	0.000	0.000
262	A	299	LEU	0	0.001	0.015	31.145	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	300	VAL	0	0.021	0.013	26.710	-0.003	-0.003	0.000	0.000	0.000	0.000
264	A	301	THR	0	-0.010	-0.012	27.724	0.008	0.008	0.000	0.000	0.000	0.000
265	A	302	GLU	-1	-0.814	-0.903	26.593	-0.110	-0.110	0.000	0.000	0.000	0.000
266	A	303	VAL	0	0.024	0.003	25.349	0.012	0.012	0.000	0.000	0.000	0.000
267	A	304	ILE	0	-0.029	-0.017	26.055	-0.008	-0.008	0.000	0.000	0.000	0.000
268	A	305	VAL	0	0.021	0.001	26.494	0.012	0.012	0.000	0.000	0.000	0.000
269	A	306	GLY	0	0.032	0.020	27.632	-0.005	-0.005	0.000	0.000	0.000	0.000
270	A	307	GLY	0	-0.032	-0.021	29.434	-0.005	-0.005	0.000	0.000	0.000	0.000
271	A	308	GLN	0	0.008	0.018	23.913	-0.010	-0.010	0.000	0.000	0.000	0.000
272	A	309	THR	0	-0.014	-0.022	24.133	0.016	0.016	0.000	0.000	0.000	0.000
273	A	310	VAL	0	-0.019	-0.002	21.955	-0.018	-0.018	0.000	0.000	0.000	0.000
274	A	311	ASP	-1	-0.743	-0.844	20.921	-0.066	-0.066	0.000	0.000	0.000	0.000
275	A	312	THR	0	-0.015	-0.009	21.651	0.001	0.001	0.000	0.000	0.000	0.000
276	A	313	TYR	0	-0.018	-0.002	22.101	-0.007	-0.007	0.000	0.000	0.000	0.000
277	A	314	GLU	-1	-0.801	-0.885	24.521	-0.151	-0.151	0.000	0.000	0.000	0.000
278	A	315	THR	0	-0.028	-0.035	26.420	0.006	0.006	0.000	0.000	0.000	0.000
279	A	316	LYS	1	0.837	0.912	27.233	0.111	0.111	0.000	0.000	0.000	0.000
280	A	317	PHE	0	0.007	0.010	31.186	0.009	0.009	0.000	0.000	0.000	0.000
281	A	318	GLY	0	0.060	0.013	34.757	-0.006	-0.006	0.000	0.000	0.000	0.000
282	A	319	VAL	0	-0.025	-0.005	38.182	0.004	0.004	0.000	0.000	0.000	0.000
283	A	320	ARG	1	0.868	0.933	40.074	0.015	0.015	0.000	0.000	0.000	0.000
284	A	321	TYR	0	0.037	0.020	43.996	0.002	0.002	0.000	0.000	0.000	0.000
285	A	322	PHE	0	0.010	0.007	43.114	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	323	LYS	1	0.864	0.926	48.094	0.004	0.004	0.000	0.000	0.000	0.000
287	A	324	PHE	0	0.048	0.018	46.403	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	325	ASP	-1	-0.846	-0.918	51.767	0.000	0.000	0.000	0.000	0.000	0.000
289	A	326	GLU	-1	-0.810	-0.902	55.540	0.004	0.004	0.000	0.000	0.000	0.000
290	A	327	ASN	0	-0.057	-0.045	57.764	0.001	0.001	0.000	0.000	0.000	0.000
291	A	328	GLU	-1	-0.847	-0.913	58.209	-0.006	-0.006	0.000	0.000	0.000	0.000
292	A	329	GLY	0	0.056	0.044	55.115	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	330	PHE	0	-0.011	-0.008	46.440	0.000	0.000	0.000	0.000	0.000	0.000
294	A	331	SER	0	0.002	-0.004	51.153	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	332	LEU	0	-0.011	-0.010	45.089	0.001	0.001	0.000	0.000	0.000	0.000
296	A	333	ASN	0	-0.007	-0.020	45.586	0.000	0.000	0.000	0.000	0.000	0.000
297	A	334	GLY	0	-0.011	-0.001	49.577	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	335	GLU	-1	-0.920	-0.944	51.244	-0.023	-0.023	0.000	0.000	0.000	0.000
299	A	336	TYR	0	-0.026	-0.028	52.311	0.000	0.000	0.000	0.000	0.000	0.000
300	A	337	MET	0	-0.016	-0.008	49.099	-0.002	-0.002	0.000	0.000	0.000	0.000
301	A	338	LYS	1	0.801	0.899	52.385	0.005	0.005	0.000	0.000	0.000	0.000
302	A	339	LEU	0	-0.010	0.007	46.273	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	340	HIS	1	0.864	0.937	48.378	0.014	0.014	0.000	0.000	0.000	0.000
304	A	341	GLY	0	0.097	0.044	45.206	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	342	VAL	0	-0.050	-0.027	41.303	0.001	0.001	0.000	0.000	0.000	0.000
306	A	343	SER	0	0.034	0.025	41.561	0.001	0.001	0.000	0.000	0.000	0.000
307	A	344	MET	0	-0.027	-0.010	36.478	-0.003	-0.003	0.000	0.000	0.000	0.000
308	A	345	HIS	1	0.866	0.958	35.714	-0.027	-0.027	0.000	0.000	0.000	0.000
309	A	346	HIS	0	-0.027	-0.025	29.485	-0.011	-0.011	0.000	0.000	0.000	0.000
310	A	347	ASP	-1	-0.869	-0.912	30.612	0.019	0.019	0.000	0.000	0.000	0.000
311	A	348	LEU	0	0.012	-0.006	27.719	-0.008	-0.008	0.000	0.000	0.000	0.000
312	A	349	GLY	0	0.041	0.019	31.346	-0.007	-0.007	0.000	0.000	0.000	0.000
313	A	350	ALA	0	-0.011	-0.003	31.412	0.007	0.007	0.000	0.000	0.000	0.000
314	A	351	LEU	0	-0.030	-0.019	26.218	0.002	0.002	0.000	0.000	0.000	0.000
315	A	352	GLY	0	0.011	0.011	26.855	0.010	0.010	0.000	0.000	0.000	0.000
316	A	353	ALA	0	0.006	-0.017	27.018	-0.008	-0.008	0.000	0.000	0.000	0.000
317	A	354	ALA	0	-0.068	-0.022	22.774	0.004	0.004	0.000	0.000	0.000	0.000
318	A	355	THR	0	-0.036	-0.026	22.687	-0.019	-0.019	0.000	0.000	0.000	0.000
319	A	356	ASN	0	0.068	-0.007	23.374	-0.011	-0.011	0.000	0.000	0.000	0.000
320	A	357	ALA	0	0.018	0.016	24.510	0.003	0.003	0.000	0.000	0.000	0.000
321	A	358	ARG	1	0.808	0.880	26.392	0.083	0.083	0.000	0.000	0.000	0.000
322	A	359	GLY	0	0.024	0.003	27.865	0.005	0.005	0.000	0.000	0.000	0.000
323	A	360	VAL	0	0.067	0.029	28.733	0.004	0.004	0.000	0.000	0.000	0.000
324	A	361	GLU	-1	-0.857	-0.903	30.629	-0.086	-0.086	0.000	0.000	0.000	0.000
325	A	362	ARG	1	0.889	0.961	32.334	0.042	0.042	0.000	0.000	0.000	0.000
326	A	363	GLN	0	-0.004	-0.003	33.894	0.002	0.002	0.000	0.000	0.000	0.000
327	A	364	MET	0	-0.003	-0.010	34.619	0.003	0.003	0.000	0.000	0.000	0.000
328	A	365	GLN	0	0.009	0.015	34.875	0.001	0.001	0.000	0.000	0.000	0.000
329	A	366	ILE	0	0.033	0.025	37.763	0.001	0.001	0.000	0.000	0.000	0.000
330	A	367	MET	0	-0.001	0.008	39.902	0.004	0.004	0.000	0.000	0.000	0.000
331	A	368	LYS	1	0.865	0.940	40.257	0.039	0.039	0.000	0.000	0.000	0.000
332	A	369	ASP	-1	-0.926	-0.956	42.586	-0.040	-0.040	0.000	0.000	0.000	0.000
333	A	370	MET	0	-0.097	-0.018	44.569	0.002	0.002	0.000	0.000	0.000	0.000
334	A	371	GLY	0	0.005	-0.016	46.084	0.002	0.002	0.000	0.000	0.000	0.000
335	A	372	VAL	0	-0.094	-0.027	42.833	0.002	0.002	0.000	0.000	0.000	0.000
336	A	373	ASN	0	-0.009	-0.018	43.998	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	374	ALA	0	0.008	0.000	42.440	0.000	0.000	0.000	0.000	0.000	0.000
338	A	375	ILE	0	0.020	0.005	37.462	0.001	0.001	0.000	0.000	0.000	0.000
339	A	376	ARG	1	0.795	0.867	40.134	-0.020	-0.020	0.000	0.000	0.000	0.000
340	A	377	VAL	0	-0.016	-0.028	34.034	0.000	0.000	0.000	0.000	0.000	0.000
341	A	378	THR	0	-0.039	0.005	37.419	0.003	0.003	0.000	0.000	0.000	0.000
342	A	379	HIS	1	0.802	0.874	36.814	-0.032	-0.032	0.000	0.000	0.000	0.000
343	A	380	ASN	0	-0.064	-0.020	32.678	0.006	0.006	0.000	0.000	0.000	0.000
344	A	381	PRO	0	0.019	0.016	30.515	-0.006	-0.006	0.000	0.000	0.000	0.000
345	A	382	ALA	0	-0.009	0.002	31.274	0.003	0.003	0.000	0.000	0.000	0.000
346	A	383	SER	0	-0.022	-0.029	26.316	0.007	0.007	0.000	0.000	0.000	0.000
347	A	384	PRO	0	0.083	0.020	23.725	-0.006	-0.006	0.000	0.000	0.000	0.000
348	A	385	GLU	-1	-0.808	-0.868	23.405	-0.023	-0.023	0.000	0.000	0.000	0.000
349	A	386	LEU	0	0.001	0.006	27.412	-0.008	-0.008	0.000	0.000	0.000	0.000
350	A	387	LEU	0	0.033	0.016	29.642	-0.004	-0.004	0.000	0.000	0.000	0.000
351	A	388	GLU	-1	-0.806	-0.864	27.924	-0.082	-0.082	0.000	0.000	0.000	0.000
352	A	389	ALA	0	-0.034	-0.023	30.465	-0.006	-0.006	0.000	0.000	0.000	0.000
353	A	390	ALA	0	0.025	0.020	32.680	-0.003	-0.003	0.000	0.000	0.000	0.000
354	A	391	ASN	0	-0.013	-0.039	31.680	0.003	0.003	0.000	0.000	0.000	0.000
355	A	392	LYS	1	0.836	0.922	29.432	0.089	0.089	0.000	0.000	0.000	0.000
356	A	393	LEU	0	-0.011	-0.019	34.761	-0.002	-0.002	0.000	0.000	0.000	0.000
357	A	394	GLY	0	-0.020	0.012	37.584	0.002	0.002	0.000	0.000	0.000	0.000
358	A	395	LEU	0	-0.015	-0.010	37.805	0.002	0.002	0.000	0.000	0.000	0.000
359	A	396	PHE	0	0.017	-0.003	39.162	0.000	0.000	0.000	0.000	0.000	0.000
360	A	397	ILE	0	-0.002	-0.001	35.494	0.001	0.001	0.000	0.000	0.000	0.000
361	A	398	ILE	0	-0.007	0.009	39.023	0.001	0.001	0.000	0.000	0.000	0.000
362	A	399	GLU	-1	-0.737	-0.863	32.455	0.024	0.024	0.000	0.000	0.000	0.000
363	A	400	GLU	-1	-0.742	-0.837	37.021	0.028	0.028	0.000	0.000	0.000	0.000
364	A	401	ALA	0	0.029	0.026	35.417	0.003	0.003	0.000	0.000	0.000	0.000
365	A	402	PHE	0	0.002	-0.011	34.635	0.005	0.005	0.000	0.000	0.000	0.000
366	A	403	ASP	-1	-0.727	-0.871	38.139	0.039	0.039	0.000	0.000	0.000	0.000
367	A	404	SER	0	-0.028	-0.014	39.597	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	405	TRP	0	-0.007	-0.016	40.063	0.001	0.001	0.000	0.000	0.000	0.000
369	A	406	ALA	0	0.057	0.018	41.194	0.004	0.004	0.000	0.000	0.000	0.000
370	A	407	GLN	0	-0.076	-0.029	42.757	0.001	0.001	0.000	0.000	0.000	0.000
371	A	408	SER	0	-0.027	-0.039	40.340	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	409	LYS	1	0.787	0.904	41.914	-0.048	-0.048	0.000	0.000	0.000	0.000
373	A	410	LYS	1	0.779	0.871	39.375	-0.054	-0.054	0.000	0.000	0.000	0.000
374	A	411	PRO	0	0.021	0.018	40.068	0.002	0.002	0.000	0.000	0.000	0.000
375	A	412	TYR	0	0.002	-0.006	34.969	0.006	0.006	0.000	0.000	0.000	0.000
376	A	413	ASP	-1	-0.691	-0.808	35.090	0.079	0.079	0.000	0.000	0.000	0.000
377	A	414	TYR	0	-0.010	-0.053	32.495	0.005	0.005	0.000	0.000	0.000	0.000
378	A	415	GLY	0	0.051	0.036	35.867	0.001	0.001	0.000	0.000	0.000	0.000
379	A	416	ARG	1	0.811	0.905	32.958	-0.113	-0.113	0.000	0.000	0.000	0.000
380	A	417	PHE	0	-0.054	-0.037	32.368	0.006	0.006	0.000	0.000	0.000	0.000
381	A	418	PHE	0	0.030	0.040	35.662	0.002	0.002	0.000	0.000	0.000	0.000
382	A	419	ASN	0	0.019	-0.016	37.764	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	420	ALA	0	-0.023	0.000	34.869	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	421	TRP	0	0.007	-0.004	27.437	0.005	0.005	0.000	0.000	0.000	0.000
385	A	422	ALA	0	0.017	0.026	33.694	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	423	GLU	-1	-0.820	-0.898	35.629	0.070	0.070	0.000	0.000	0.000	0.000
387	A	424	HIS	0	0.030	0.005	27.500	-0.005	-0.005	0.000	0.000	0.000	0.000
388	A	425	ASP	-1	-0.742	-0.839	30.152	0.107	0.107	0.000	0.000	0.000	0.000
389	A	426	ILE	0	-0.035	-0.018	32.101	-0.006	-0.006	0.000	0.000	0.000	0.000
390	A	427	LYS	1	0.769	0.872	33.202	-0.069	-0.069	0.000	0.000	0.000	0.000
391	A	428	GLU	-1	-0.788	-0.840	26.411	0.081	0.081	0.000	0.000	0.000	0.000
392	A	429	MET	0	-0.045	-0.005	30.010	-0.008	-0.008	0.000	0.000	0.000	0.000
393	A	430	VAL	0	0.010	-0.002	31.898	-0.008	-0.008	0.000	0.000	0.000	0.000
394	A	431	ASP	-1	-0.829	-0.913	29.901	0.033	0.033	0.000	0.000	0.000	0.000
395	A	432	ARG	1	0.824	0.900	26.976	-0.038	-0.038	0.000	0.000	0.000	0.000
396	A	433	GLY	0	0.010	-0.003	29.272	-0.011	-0.011	0.000	0.000	0.000	0.000
397	A	434	LYS	1	0.788	0.881	30.716	-0.026	-0.026	0.000	0.000	0.000	0.000
398	A	435	ASN	0	0.003	-0.004	30.857	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	436	GLU	-1	-0.850	-0.914	30.862	-0.041	-0.041	0.000	0.000	0.000	0.000
400	A	437	PRO	0	-0.049	-0.007	34.346	0.005	0.005	0.000	0.000	0.000	0.000
401	A	438	ALA	0	0.061	0.037	36.044	0.003	0.003	0.000	0.000	0.000	0.000
402	A	439	ILE	0	-0.023	0.004	33.510	0.003	0.003	0.000	0.000	0.000	0.000
403	A	440	ILE	0	-0.047	-0.025	38.036	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	441	MET	0	-0.048	-0.008	40.622	0.001	0.001	0.000	0.000	0.000	0.000
405	A	442	TRP	0	0.019	0.020	34.554	0.001	0.001	0.000	0.000	0.000	0.000
406	A	443	SER	0	-0.039	-0.063	39.884	0.000	0.000	0.000	0.000	0.000	0.000
407	A	444	ILE	0	0.017	-0.005	39.919	0.004	0.004	0.000	0.000	0.000	0.000
408	A	445	GLY	0	-0.003	-0.005	41.362	0.005	0.005	0.000	0.000	0.000	0.000
409	A	446	ASN	0	-0.020	-0.006	42.135	-0.007	-0.007	0.000	0.000	0.000	0.000
410	A	447	GLU	-1	-0.781	-0.888	43.854	0.033	0.033	0.000	0.000	0.000	0.000
411	A	448	ILE	0	-0.044	-0.003	42.460	0.002	0.002	0.000	0.000	0.000	0.000
412	A	449	TYR	0	0.020	0.000	46.281	-0.002	-0.002	0.000	0.000	0.000	0.000
413	A	450	ASP	-1	-0.794	-0.918	45.911	0.050	0.050	0.000	0.000	0.000	0.000
414	A	451	THR	0	-0.048	-0.053	48.386	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	452	THR	0	-0.044	-0.015	50.733	-0.002	-0.002	0.000	0.000	0.000	0.000
416	A	453	ASN	0	0.004	-0.005	50.577	0.000	0.000	0.000	0.000	0.000	0.000
417	A	454	ALA	0	0.073	0.026	52.696	0.000	0.000	0.000	0.000	0.000	0.000
418	A	455	ALA	0	0.025	0.017	49.060	0.000	0.000	0.000	0.000	0.000	0.000
419	A	456	GLY	0	0.032	0.029	48.039	0.002	0.002	0.000	0.000	0.000	0.000
420	A	457	VAL	0	-0.037	-0.019	48.526	0.000	0.000	0.000	0.000	0.000	0.000
421	A	458	GLU	-1	-0.843	-0.904	48.218	0.041	0.041	0.000	0.000	0.000	0.000
422	A	459	THR	0	-0.036	-0.015	43.413	0.002	0.002	0.000	0.000	0.000	0.000
423	A	460	ALA	0	-0.010	-0.015	44.702	0.001	0.001	0.000	0.000	0.000	0.000
424	A	461	ARG	1	0.864	0.924	45.873	-0.035	-0.035	0.000	0.000	0.000	0.000
425	A	462	ASN	0	-0.032	-0.025	42.790	0.001	0.001	0.000	0.000	0.000	0.000
426	A	463	LEU	0	-0.022	0.017	39.797	0.000	0.000	0.000	0.000	0.000	0.000
427	A	464	VAL	0	0.008	-0.008	41.310	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	465	GLY	0	-0.004	0.002	43.242	-0.002	-0.002	0.000	0.000	0.000	0.000
429	A	466	TRP	0	0.027	-0.004	38.149	0.000	0.000	0.000	0.000	0.000	0.000
430	A	467	VAL	0	-0.023	-0.011	38.462	0.000	0.000	0.000	0.000	0.000	0.000
431	A	468	LYS	1	0.863	0.913	39.177	-0.023	-0.023	0.000	0.000	0.000	0.000
432	A	469	GLU	-1	-0.866	-0.916	38.446	0.052	0.052	0.000	0.000	0.000	0.000
433	A	470	ILE	0	-0.061	-0.012	34.123	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	471	ASP	-1	-0.756	-0.864	37.187	0.003	0.003	0.000	0.000	0.000	0.000
435	A	472	THR	0	-0.021	-0.011	39.294	0.001	0.001	0.000	0.000	0.000	0.000
436	A	473	THR	0	-0.119	-0.082	40.498	-0.003	-0.003	0.000	0.000	0.000	0.000
437	A	474	ARG	1	0.766	0.869	36.836	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	475	PRO	0	-0.046	-0.007	43.039	0.003	0.003	0.000	0.000	0.000	0.000
439	A	476	THR	0	0.043	-0.025	42.689	0.001	0.001	0.000	0.000	0.000	0.000
440	A	477	THR	0	-0.026	-0.047	43.646	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	478	ILE	0	-0.021	-0.003	44.574	0.004	0.004	0.000	0.000	0.000	0.000
442	A	479	GLY	0	0.043	0.039	45.454	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	480	GLU	-1	-0.792	-0.859	46.908	0.032	0.032	0.000	0.000	0.000	0.000
444	A	481	ASP	-1	-0.803	-0.899	49.977	0.025	0.025	0.000	0.000	0.000	0.000
445	A	482	LYS	1	0.788	0.868	49.791	-0.034	-0.034	0.000	0.000	0.000	0.000
446	A	483	THR	0	0.023	0.019	54.342	0.000	0.000	0.000	0.000	0.000	0.000
447	A	484	ARG	1	0.858	0.939	53.108	-0.022	-0.022	0.000	0.000	0.000	0.000
448	A	485	GLY	0	0.011	0.014	57.672	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	486	ASP	-1	-0.807	-0.882	60.610	0.013	0.013	0.000	0.000	0.000	0.000
450	A	487	LYS	1	0.781	0.875	57.759	-0.012	-0.012	0.000	0.000	0.000	0.000
451	A	488	VAL	0	-0.032	-0.013	61.473	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	489	ASN	0	-0.065	-0.055	64.878	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	490	VAL	0	-0.008	0.000	63.146	0.000	0.000	0.000	0.000	0.000	0.000
454	A	491	THR	0	-0.024	-0.005	60.467	0.000	0.000	0.000	0.000	0.000	0.000
455	A	492	PRO	0	0.002	0.010	62.174	0.000	0.000	0.000	0.000	0.000	0.000
456	A	493	ILE	0	-0.020	-0.003	57.862	0.001	0.001	0.000	0.000	0.000	0.000
457	A	494	ASN	0	0.062	0.030	57.109	0.001	0.001	0.000	0.000	0.000	0.000
458	A	495	SER	0	0.065	0.017	58.339	0.000	0.000	0.000	0.000	0.000	0.000
459	A	496	TYR	0	0.006	0.010	54.490	0.000	0.000	0.000	0.000	0.000	0.000
460	A	497	ILE	0	0.036	0.022	53.262	0.000	0.000	0.000	0.000	0.000	0.000
461	A	498	LYS	1	0.887	0.953	54.229	-0.017	-0.017	0.000	0.000	0.000	0.000
462	A	499	GLU	-1	-0.840	-0.934	54.652	0.028	0.028	0.000	0.000	0.000	0.000
463	A	500	ILE	0	-0.003	-0.002	49.284	0.000	0.000	0.000	0.000	0.000	0.000
464	A	501	PHE	0	-0.026	-0.033	51.156	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	502	ASN	0	-0.078	-0.037	53.048	-0.003	-0.003	0.000	0.000	0.000	0.000
466	A	503	ILE	0	-0.039	0.002	48.483	0.000	0.000	0.000	0.000	0.000	0.000
467	A	504	VAL	0	-0.018	0.006	46.715	0.000	0.000	0.000	0.000	0.000	0.000
468	A	505	ASP	-1	-0.821	-0.853	46.862	0.016	0.016	0.000	0.000	0.000	0.000
469	A	506	VAL	0	-0.030	-0.020	48.118	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	507	VAL	0	0.018	0.029	48.916	0.002	0.002	0.000	0.000	0.000	0.000
471	A	508	GLY	0	0.039	0.014	48.621	-0.002	-0.002	0.000	0.000	0.000	0.000
472	A	509	LEU	0	-0.064	-0.028	49.692	0.002	0.002	0.000	0.000	0.000	0.000
473	A	510	ASN	0	0.000	-0.006	46.656	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	511	TYR	0	-0.075	-0.070	47.270	0.000	0.000	0.000	0.000	0.000	0.000
475	A	512	SER	0	-0.005	-0.005	53.561	0.001	0.001	0.000	0.000	0.000	0.000
476	A	513	GLU	-1	-0.787	-0.895	55.027	0.009	0.009	0.000	0.000	0.000	0.000
477	A	514	ASN	0	-0.066	-0.026	58.212	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	515	ASN	0	0.008	-0.020	58.170	0.000	0.000	0.000	0.000	0.000	0.000
479	A	516	TYR	0	0.007	0.011	54.361	0.000	0.000	0.000	0.000	0.000	0.000
480	A	517	ASP	-1	-0.776	-0.880	59.274	0.003	0.003	0.000	0.000	0.000	0.000
481	A	518	GLY	0	0.039	0.019	62.543	0.000	0.000	0.000	0.000	0.000	0.000
482	A	519	TYR	0	0.011	-0.030	57.463	0.001	0.001	0.000	0.000	0.000	0.000
483	A	520	HIS	1	0.903	0.968	59.978	-0.004	-0.004	0.000	0.000	0.000	0.000
484	A	521	LYS	1	0.818	0.890	61.241	-0.004	-0.004	0.000	0.000	0.000	0.000
485	A	522	GLN	0	-0.015	-0.008	63.372	0.001	0.001	0.000	0.000	0.000	0.000
486	A	523	ASN	0	-0.048	-0.016	59.997	0.002	0.002	0.000	0.000	0.000	0.000
487	A	524	PRO	0	0.037	0.020	60.472	0.000	0.000	0.000	0.000	0.000	0.000
488	A	525	SER	0	0.023	0.022	58.350	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	526	TRP	0	-0.025	-0.030	56.051	0.000	0.000	0.000	0.000	0.000	0.000
490	A	527	LYS	1	0.846	0.924	52.629	-0.008	-0.008	0.000	0.000	0.000	0.000
491	A	528	LEU	0	0.008	0.009	53.038	0.001	0.001	0.000	0.000	0.000	0.000
492	A	529	TYR	0	-0.035	-0.018	46.229	-0.003	-0.003	0.000	0.000	0.000	0.000
493	A	530	GLY	0	0.077	0.055	51.398	0.002	0.002	0.000	0.000	0.000	0.000
494	A	531	SER	0	-0.002	-0.025	46.522	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	532	GLU	-1	-0.793	-0.862	45.209	0.023	0.023	0.000	0.000	0.000	0.000
496	A	533	THR	0	-0.029	-0.027	48.105	0.001	0.001	0.000	0.000	0.000	0.000
497	A	534	SER	0	-0.019	-0.012	49.695	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	535	SER	0	0.088	0.035	48.307	0.001	0.001	0.000	0.000	0.000	0.000
499	A	536	ALA	0	-0.026	-0.017	49.871	0.001	0.001	0.000	0.000	0.000	0.000
500	A	537	THR	0	-0.071	-0.045	48.628	0.000	0.000	0.000	0.000	0.000	0.000
501	A	538	ARG	1	0.844	0.932	48.116	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	539	SER	0	0.061	0.010	47.722	0.001	0.001	0.000	0.000	0.000	0.000
503	A	540	ARG	1	0.803	0.891	43.254	0.014	0.014	0.000	0.000	0.000	0.000
504	A	541	GLY	0	0.047	0.028	48.070	0.000	0.000	0.000	0.000	0.000	0.000
505	A	542	VAL	0	-0.023	0.010	50.537	0.000	0.000	0.000	0.000	0.000	0.000
506	A	543	TYR	0	-0.034	-0.053	53.067	0.000	0.000	0.000	0.000	0.000	0.000
507	A	544	THR	0	0.089	0.040	56.166	0.000	0.000	0.000	0.000	0.000	0.000
508	A	545	HIS	1	0.804	0.892	56.968	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	546	PRO	0	0.050	0.036	61.063	0.000	0.000	0.000	0.000	0.000	0.000
510	A	547	TYR	0	0.024	-0.004	62.071	0.000	0.000	0.000	0.000	0.000	0.000
511	A	548	GLN	0	-0.044	-0.008	63.129	0.000	0.000	0.000	0.000	0.000	0.000
512	A	549	TYR	0	0.046	0.035	60.232	0.000	0.000	0.000	0.000	0.000	0.000
513	A	550	ASN	0	-0.032	-0.024	58.964	0.000	0.000	0.000	0.000	0.000	0.000
514	A	551	GLN	0	0.078	0.033	57.632	0.000	0.000	0.000	0.000	0.000	0.000
515	A	552	SER	0	-0.023	-0.011	54.447	0.000	0.000	0.000	0.000	0.000	0.000
516	A	553	THR	0	-0.008	-0.006	55.526	0.001	0.001	0.000	0.000	0.000	0.000
517	A	554	LYS	1	0.875	0.968	52.211	-0.021	-0.021	0.000	0.000	0.000	0.000
518	A	555	TYR	0	-0.021	-0.044	54.338	0.000	0.000	0.000	0.000	0.000	0.000
519	A	556	ALA	0	0.019	-0.009	54.353	0.001	0.001	0.000	0.000	0.000	0.000
520	A	557	ASP	-1	-0.867	-0.941	53.386	0.005	0.005	0.000	0.000	0.000	0.000
521	A	558	LEU	0	-0.019	-0.001	48.486	0.000	0.000	0.000	0.000	0.000	0.000
522	A	559	GLN	0	0.035	0.067	47.251	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	560	GLN	0	0.005	0.016	50.366	0.002	0.002	0.000	0.000	0.000	0.000
524	A	561	SER	0	-0.017	-0.027	52.030	-0.002	-0.002	0.000	0.000	0.000	0.000
525	A	562	SER	0	-0.014	-0.027	51.137	0.001	0.001	0.000	0.000	0.000	0.000
526	A	563	TYR	0	-0.065	-0.051	53.677	-0.002	-0.002	0.000	0.000	0.000	0.000
527	A	564	ASP	-1	-0.837	-0.932	54.581	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	565	ASN	0	-0.010	-0.012	56.097	0.000	0.000	0.000	0.000	0.000	0.000
529	A	566	ASP	-1	-0.680	-0.788	54.155	0.006	0.006	0.000	0.000	0.000	0.000
530	A	567	TYR	0	-0.008	-0.003	53.476	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	568	VAL	0	0.035	0.045	50.604	0.001	0.001	0.000	0.000	0.000	0.000
532	A	569	GLY	0	0.012	0.006	53.939	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	570	TRP	0	-0.001	0.003	49.217	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	571	GLY	0	0.024	0.011	53.901	0.000	0.000	0.000	0.000	0.000	0.000
535	A	572	ARG	1	0.774	0.878	54.466	-0.008	-0.008	0.000	0.000	0.000	0.000
536	A	573	THR	0	0.049	0.026	54.625	0.000	0.000	0.000	0.000	0.000	0.000
537	A	574	ALA	0	0.023	0.008	52.738	0.000	0.000	0.000	0.000	0.000	0.000
538	A	575	GLU	-1	-0.780	-0.858	54.264	-0.004	-0.004	0.000	0.000	0.000	0.000
539	A	576	ASP	-1	-0.864	-0.919	57.558	0.004	0.004	0.000	0.000	0.000	0.000
540	A	577	ALA	0	0.029	-0.005	54.093	0.000	0.000	0.000	0.000	0.000	0.000
541	A	578	TRP	0	-0.029	-0.016	54.490	0.000	0.000	0.000	0.000	0.000	0.000
542	A	579	LYS	1	0.822	0.906	56.035	0.002	0.002	0.000	0.000	0.000	0.000
543	A	580	TYR	0	0.003	-0.001	58.177	0.000	0.000	0.000	0.000	0.000	0.000
544	A	581	ASP	-1	-0.810	-0.892	53.726	-0.003	-0.003	0.000	0.000	0.000	0.000
545	A	582	ARG	1	0.730	0.825	57.089	0.005	0.005	0.000	0.000	0.000	0.000
546	A	583	ASP	-1	-0.805	-0.884	58.675	-0.004	-0.004	0.000	0.000	0.000	0.000
547	A	584	LEU	0	-0.054	-0.024	59.544	0.000	0.000	0.000	0.000	0.000	0.000
548	A	585	LYS	1	0.793	0.896	58.155	0.007	0.007	0.000	0.000	0.000	0.000
549	A	586	HIS	0	-0.019	-0.017	57.781	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	587	ILE	0	-0.072	-0.001	54.586	0.001	0.001	0.000	0.000	0.000	0.000
551	A	588	ALA	0	0.010	-0.003	51.069	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	589	GLY	0	0.011	0.007	51.042	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	590	GLN	0	-0.072	-0.030	50.062	0.003	0.003	0.000	0.000	0.000	0.000
554	A	591	PHE	0	-0.006	-0.001	43.402	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	592	ILE	0	-0.005	0.012	46.248	0.002	0.002	0.000	0.000	0.000	0.000
556	A	593	TRP	0	0.007	0.002	41.235	0.000	0.000	0.000	0.000	0.000	0.000
557	A	594	THR	0	-0.038	-0.044	41.762	0.000	0.000	0.000	0.000	0.000	0.000
558	A	595	GLY	0	0.022	0.007	41.945	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	596	PHE	0	0.010	-0.007	37.518	-0.004	-0.004	0.000	0.000	0.000	0.000
560	A	597	ASP	-1	-0.759	-0.844	40.302	0.007	0.007	0.000	0.000	0.000	0.000
561	A	598	TYR	0	-0.046	-0.064	36.857	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	599	ILE	0	-0.029	-0.024	33.028	0.000	0.000	0.000	0.000	0.000	0.000
563	A	600	GLY	0	0.046	0.005	36.991	0.004	0.004	0.000	0.000	0.000	0.000
564	A	601	GLU	-1	-0.864	-0.920	39.221	0.026	0.026	0.000	0.000	0.000	0.000
565	A	602	PRO	0	-0.016	0.022	42.390	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	603	THR	0	-0.032	-0.003	44.736	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	604	PRO	0	0.007	-0.005	47.874	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	605	TYR	0	-0.058	-0.057	47.974	0.001	0.001	0.000	0.000	0.000	0.000
569	A	606	TYR	0	0.010	0.007	47.387	0.001	0.001	0.000	0.000	0.000	0.000
570	A	607	ASN	0	-0.023	-0.016	46.794	0.000	0.000	0.000	0.000	0.000	0.000
571	A	608	SER	0	-0.026	-0.020	47.103	-0.002	-0.002	0.000	0.000	0.000	0.000
572	A	609	TYR	0	0.029	0.051	40.112	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	610	PRO	0	-0.016	-0.015	43.699	0.000	0.000	0.000	0.000	0.000	0.000
574	A	611	ALA	0	0.016	-0.020	43.386	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	612	LYS	1	0.850	0.926	37.846	-0.012	-0.012	0.000	0.000	0.000	0.000
576	A	613	SER	0	-0.011	0.011	38.818	0.003	0.003	0.000	0.000	0.000	0.000
577	A	614	SER	0	-0.042	-0.005	40.732	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	615	TYR	0	-0.006	-0.022	42.841	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	616	PHE	0	0.038	-0.008	44.051	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	617	GLY	0	-0.001	0.036	43.339	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	618	ALA	0	0.018	-0.009	44.265	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	619	VAL	0	-0.032	-0.010	40.763	-0.003	-0.003	0.000	0.000	0.000	0.000
583	A	620	ASP	-1	-0.745	-0.867	40.887	-0.011	-0.011	0.000	0.000	0.000	0.000
584	A	621	THR	0	-0.021	-0.052	36.387	-0.002	-0.002	0.000	0.000	0.000	0.000
585	A	622	ALA	0	-0.027	0.004	36.267	-0.002	-0.002	0.000	0.000	0.000	0.000
586	A	623	GLY	0	-0.020	-0.020	37.675	-0.006	-0.006	0.000	0.000	0.000	0.000
587	A	624	PHE	0	-0.048	-0.027	38.832	-0.004	-0.004	0.000	0.000	0.000	0.000
588	A	625	PRO	0	0.019	0.014	42.274	0.004	0.004	0.000	0.000	0.000	0.000
589	A	626	LYS	1	0.775	0.872	44.739	0.001	0.001	0.000	0.000	0.000	0.000
590	A	627	ASP	-1	-0.751	-0.860	47.970	-0.015	-0.015	0.000	0.000	0.000	0.000
591	A	628	ILE	0	-0.017	-0.008	49.068	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	629	PHE	0	0.010	0.002	44.043	0.000	0.000	0.000	0.000	0.000	0.000
593	A	630	TYR	0	0.056	0.010	48.394	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	631	TYR	0	-0.053	-0.019	51.604	0.000	0.000	0.000	0.000	0.000	0.000
595	A	632	TYR	0	0.067	0.028	49.402	0.001	0.001	0.000	0.000	0.000	0.000
596	A	633	GLN	0	-0.013	-0.012	48.009	0.000	0.000	0.000	0.000	0.000	0.000
597	A	634	SER	0	-0.113	-0.066	51.627	0.000	0.000	0.000	0.000	0.000	0.000
598	A	635	GLN	0	0.004	0.011	54.311	0.001	0.001	0.000	0.000	0.000	0.000
599	A	636	TRP	0	-0.064	-0.045	47.805	0.000	0.000	0.000	0.000	0.000	0.000
600	A	637	LYS	1	0.865	0.949	47.271	0.030	0.030	0.000	0.000	0.000	0.000
601	A	638	LYS	1	0.894	0.945	52.643	0.021	0.021	0.000	0.000	0.000	0.000
602	A	639	GLU	-1	-0.802	-0.894	50.042	-0.030	-0.030	0.000	0.000	0.000	0.000
603	A	640	PRO	0	-0.019	-0.005	54.508	0.001	0.001	0.000	0.000	0.000	0.000
604	A	641	MET	0	-0.012	0.017	53.173	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	642	VAL	0	0.000	-0.009	56.124	0.002	0.002	0.000	0.000	0.000	0.000
606	A	643	HIS	1	0.793	0.896	53.136	0.018	0.018	0.000	0.000	0.000	0.000
607	A	644	LEU	0	-0.001	0.001	55.989	0.002	0.002	0.000	0.000	0.000	0.000
608	A	645	LEU	0	-0.038	0.023	55.517	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	646	PRO	0	-0.033	-0.017	56.686	0.001	0.001	0.000	0.000	0.000	0.000
610	A	647	HIS	0	0.111	0.039	54.748	-0.002	-0.002	0.000	0.000	0.000	0.000
611	A	648	TRP	0	0.038	-0.005	56.952	0.002	0.002	0.000	0.000	0.000	0.000
612	A	649	ASN	0	0.034	0.029	57.794	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	650	TRP	0	-0.054	-0.021	58.906	0.002	0.002	0.000	0.000	0.000	0.000
614	A	651	LYS	1	0.844	0.905	62.745	0.005	0.005	0.000	0.000	0.000	0.000
615	A	652	GLU	-1	-0.811	-0.912	66.028	-0.011	-0.011	0.000	0.000	0.000	0.000
616	A	653	GLY	0	-0.054	-0.025	69.017	0.001	0.001	0.000	0.000	0.000	0.000
617	A	654	GLU	-1	-0.787	-0.879	65.014	-0.005	-0.005	0.000	0.000	0.000	0.000
618	A	655	LYS	1	0.895	0.970	68.235	0.004	0.004	0.000	0.000	0.000	0.000
619	A	656	VAL	0	0.015	0.005	62.548	0.001	0.001	0.000	0.000	0.000	0.000
620	A	657	ARG	1	0.720	0.841	61.783	0.004	0.004	0.000	0.000	0.000	0.000
621	A	658	VAL	0	0.042	0.033	62.020	0.000	0.000	0.000	0.000	0.000	0.000
622	A	659	LEU	0	0.001	-0.012	59.559	0.001	0.001	0.000	0.000	0.000	0.000
623	A	660	ALA	0	0.000	0.001	59.582	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	661	TYR	0	0.011	0.012	54.701	0.001	0.001	0.000	0.000	0.000	0.000
625	A	662	THR	0	0.005	-0.045	57.500	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	663	ASN	0	0.038	0.031	55.872	0.001	0.001	0.000	0.000	0.000	0.000
627	A	664	ALA	0	-0.015	0.008	59.454	0.000	0.000	0.000	0.000	0.000	0.000
628	A	665	SER	0	-0.051	-0.061	62.365	0.001	0.001	0.000	0.000	0.000	0.000
629	A	666	LYS	1	0.873	0.926	65.939	0.016	0.016	0.000	0.000	0.000	0.000
630	A	667	VAL	0	0.007	0.004	62.702	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	668	GLU	-1	-0.853	-0.875	65.962	-0.015	-0.015	0.000	0.000	0.000	0.000
632	A	669	LEU	0	-0.002	0.021	63.996	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	670	VAL	0	-0.004	0.003	66.164	0.001	0.001	0.000	0.000	0.000	0.000
634	A	671	LEU	0	0.041	0.024	65.983	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	672	ASN	0	-0.026	-0.024	66.593	-0.001	-0.001	0.000	0.000	0.000	0.000
636	A	673	GLY	0	-0.004	-0.010	67.997	0.000	0.000	0.000	0.000	0.000	0.000
637	A	674	GLU	-1	-0.924	-0.948	69.833	-0.014	-0.014	0.000	0.000	0.000	0.000
638	A	675	SER	0	-0.091	-0.084	71.080	0.000	0.000	0.000	0.000	0.000	0.000
639	A	676	LEU	0	0.015	-0.001	68.339	0.001	0.001	0.000	0.000	0.000	0.000
640	A	677	GLY	0	-0.004	0.004	71.816	0.001	0.001	0.000	0.000	0.000	0.000
641	A	678	GLU	-1	-0.808	-0.915	69.960	-0.015	-0.015	0.000	0.000	0.000	0.000
642	A	679	LYS	1	0.836	0.922	67.712	0.011	0.011	0.000	0.000	0.000	0.000
643	A	680	ASN	0	-0.039	-0.043	68.189	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	681	TYR	0	-0.062	-0.030	60.909	0.001	0.001	0.000	0.000	0.000	0.000
645	A	682	ASP	-1	-0.871	-0.937	67.793	-0.008	-0.008	0.000	0.000	0.000	0.000
646	A	683	ASN	0	-0.092	-0.072	67.226	0.000	0.000	0.000	0.000	0.000	0.000
647	A	684	LYS	1	0.816	0.896	66.875	0.007	0.007	0.000	0.000	0.000	0.000
648	A	685	GLN	0	0.008	-0.010	66.428	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	686	THR	0	0.034	0.031	62.375	0.001	0.001	0.000	0.000	0.000	0.000
650	A	687	SER	0	0.003	0.007	65.880	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	688	TRP	0	-0.016	-0.018	59.846	0.000	0.000	0.000	0.000	0.000	0.000
652	A	689	GLY	0	0.017	0.003	66.003	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	690	ALA	0	-0.064	-0.009	61.758	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	691	PRO	0	0.012	0.002	63.068	0.001	0.001	0.000	0.000	0.000	0.000
655	A	692	TYR	0	-0.045	-0.031	61.790	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	693	LYS	1	0.883	0.943	62.342	0.016	0.016	0.000	0.000	0.000	0.000
657	A	694	GLU	-1	-0.738	-0.861	63.051	-0.005	-0.005	0.000	0.000	0.000	0.000
658	A	695	THR	0	0.002	0.003	65.542	0.000	0.000	0.000	0.000	0.000	0.000
659	A	696	LYS	1	1.014	1.023	68.344	0.007	0.007	0.000	0.000	0.000	0.000
660	A	697	ASP	-1	-0.930	-0.960	69.497	-0.005	-0.005	0.000	0.000	0.000	0.000
661	A	698	GLY	0	0.024	0.019	67.376	0.001	0.001	0.000	0.000	0.000	0.000
662	A	699	LYS	1	0.914	0.993	64.188	0.003	0.003	0.000	0.000	0.000	0.000
663	A	700	THR	0	-0.008	-0.031	60.035	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	701	TYR	0	0.013	0.003	59.807	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	702	LEU	0	-0.035	-0.004	61.704	0.001	0.001	0.000	0.000	0.000	0.000
666	A	703	GLU	-1	-0.743	-0.862	63.293	-0.006	-0.006	0.000	0.000	0.000	0.000
667	A	704	TRP	0	-0.043	-0.024	63.898	0.000	0.000	0.000	0.000	0.000	0.000
668	A	705	ALA	0	-0.018	-0.001	66.606	0.000	0.000	0.000	0.000	0.000	0.000
669	A	706	VAL	0	0.007	0.000	66.793	0.000	0.000	0.000	0.000	0.000	0.000
670	A	707	PRO	0	0.013	0.005	67.959	0.000	0.000	0.000	0.000	0.000	0.000
671	A	708	PHE	0	-0.009	0.003	62.883	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	709	LYS	1	0.931	0.955	67.275	0.011	0.011	0.000	0.000	0.000	0.000
673	A	710	PRO	0	0.004	0.015	64.564	-0.001	-0.001	0.000	0.000	0.000	0.000
674	A	711	GLY	0	0.014	0.009	63.590	0.000	0.000	0.000	0.000	0.000	0.000
675	A	712	LYS	1	0.856	0.930	61.573	0.023	0.023	0.000	0.000	0.000	0.000
676	A	713	LEU	0	-0.001	0.012	61.958	0.001	0.001	0.000	0.000	0.000	0.000
677	A	714	GLU	-1	-0.827	-0.910	61.399	-0.024	-0.024	0.000	0.000	0.000	0.000
678	A	715	ALA	0	0.014	0.008	60.838	0.001	0.001	0.000	0.000	0.000	0.000
679	A	716	VAL	0	-0.028	-0.024	61.868	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	717	ALA	0	0.011	0.011	61.372	0.001	0.001	0.000	0.000	0.000	0.000
681	A	718	LYS	1	0.850	0.905	63.397	0.016	0.016	0.000	0.000	0.000	0.000
682	A	719	ASP	-1	-0.787	-0.901	65.454	-0.019	-0.019	0.000	0.000	0.000	0.000
683	A	720	GLU	-1	-0.800	-0.878	66.648	-0.015	-0.015	0.000	0.000	0.000	0.000
684	A	721	ASN	0	-0.112	-0.059	69.147	0.001	0.001	0.000	0.000	0.000	0.000
685	A	722	GLY	0	-0.008	0.006	70.471	0.000	0.000	0.000	0.000	0.000	0.000
686	A	723	LYS	1	0.963	0.992	64.261	0.024	0.024	0.000	0.000	0.000	0.000
687	A	724	VAL	0	-0.041	-0.025	63.065	0.000	0.000	0.000	0.000	0.000	0.000
688	A	725	ILE	0	-0.061	-0.041	61.028	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	726	ALA	0	0.001	0.010	57.778	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	727	ARG	1	0.873	0.913	58.168	0.026	0.026	0.000	0.000	0.000	0.000
691	A	728	ASP	-1	-0.745	-0.851	55.475	-0.024	-0.024	0.000	0.000	0.000	0.000
692	A	729	GLN	0	-0.026	-0.018	56.929	0.001	0.001	0.000	0.000	0.000	0.000
693	A	730	VAL	0	0.006	0.023	56.176	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	731	VAL	0	-0.032	-0.031	57.339	0.000	0.000	0.000	0.000	0.000	0.000
695	A	732	THR	0	-0.033	-0.029	57.737	0.000	0.000	0.000	0.000	0.000	0.000
696	A	733	ALA	0	-0.043	-0.007	55.241	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	734	GLY	0	-0.027	-0.033	57.203	0.001	0.001	0.000	0.000	0.000	0.000
698	A	735	GLU	-1	-0.898	-0.963	56.506	-0.016	-0.016	0.000	0.000	0.000	0.000
699	A	736	PRO	0	-0.028	-0.015	51.115	-0.002	-0.002	0.000	0.000	0.000	0.000
700	A	737	ALA	0	-0.028	-0.013	51.875	0.000	0.000	0.000	0.000	0.000	0.000
701	A	738	SER	0	-0.034	-0.028	47.578	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	739	VAL	0	-0.002	0.017	42.317	0.002	0.002	0.000	0.000	0.000	0.000
703	A	740	ARG	1	0.837	0.906	44.155	0.036	0.036	0.000	0.000	0.000	0.000
704	A	741	LEU	0	-0.021	-0.022	37.436	0.002	0.002	0.000	0.000	0.000	0.000
705	A	742	THR	0	-0.045	-0.031	40.081	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	743	ALA	0	-0.010	0.003	35.239	0.003	0.003	0.000	0.000	0.000	0.000
707	A	744	ASP	-1	-0.826	-0.910	34.021	-0.075	-0.075	0.000	0.000	0.000	0.000
708	A	745	ARG	1	0.819	0.893	28.783	0.110	0.110	0.000	0.000	0.000	0.000
709	A	746	LYS	1	0.982	0.982	34.249	0.082	0.082	0.000	0.000	0.000	0.000
710	A	747	VAL	0	-0.039	-0.025	30.855	-0.005	-0.005	0.000	0.000	0.000	0.000
711	A	748	VAL	0	-0.029	-0.001	27.128	0.007	0.007	0.000	0.000	0.000	0.000
712	A	749	LYS	1	0.975	0.991	24.220	0.170	0.170	0.000	0.000	0.000	0.000
713	A	750	ALA	0	-0.025	-0.008	22.475	0.014	0.014	0.000	0.000	0.000	0.000
714	A	751	ASP	-1	-0.809	-0.917	19.609	-0.252	-0.252	0.000	0.000	0.000	0.000
715	A	752	GLY	0	-0.061	-0.024	18.098	-0.020	-0.020	0.000	0.000	0.000	0.000
716	A	753	THR	0	-0.071	-0.033	18.840	0.036	0.036	0.000	0.000	0.000	0.000
717	A	754	ASP	-1	-0.739	-0.847	21.328	-0.108	-0.108	0.000	0.000	0.000	0.000
718	A	755	LEU	0	0.009	-0.006	24.823	0.002	0.002	0.000	0.000	0.000	0.000
719	A	756	SER	0	-0.039	-0.007	27.544	0.000	0.000	0.000	0.000	0.000	0.000
720	A	757	PHE	0	0.005	-0.009	30.530	0.006	0.006	0.000	0.000	0.000	0.000
721	A	758	ILE	0	-0.008	-0.012	33.091	-0.002	-0.002	0.000	0.000	0.000	0.000
722	A	759	THR	0	-0.004	-0.004	35.886	0.007	0.007	0.000	0.000	0.000	0.000
723	A	760	ALA	0	0.005	0.000	39.322	-0.004	-0.004	0.000	0.000	0.000	0.000
724	A	761	ASP	-1	-0.758	-0.843	41.022	-0.031	-0.031	0.000	0.000	0.000	0.000
725	A	762	ILE	0	-0.013	-0.009	44.788	-0.002	-0.002	0.000	0.000	0.000	0.000
726	A	763	VAL	0	-0.003	-0.005	47.387	0.001	0.001	0.000	0.000	0.000	0.000
727	A	764	ASP	-1	-0.663	-0.814	50.230	-0.026	-0.026	0.000	0.000	0.000	0.000
728	A	765	SER	0	-0.024	-0.027	52.805	-0.002	-0.002	0.000	0.000	0.000	0.000
729	A	766	LYS	1	0.840	0.916	54.874	0.028	0.028	0.000	0.000	0.000	0.000
730	A	767	GLY	0	0.009	0.021	51.287	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	768	ILE	0	-0.024	-0.009	51.353	-0.001	-0.001	0.000	0.000	0.000	0.000
732	A	769	VAL	0	-0.021	-0.010	48.453	0.000	0.000	0.000	0.000	0.000	0.000
733	A	770	VAL	0	0.033	0.003	50.786	0.001	0.001	0.000	0.000	0.000	0.000
734	A	771	PRO	0	-0.015	-0.003	50.941	0.000	0.000	0.000	0.000	0.000	0.000
735	A	772	ASP	-1	-0.897	-0.953	51.449	-0.011	-0.011	0.000	0.000	0.000	0.000
736	A	773	ALA	0	-0.033	-0.009	49.079	0.001	0.001	0.000	0.000	0.000	0.000
737	A	774	ASP	-1	-0.854	-0.929	46.767	-0.008	-0.008	0.000	0.000	0.000	0.000
738	A	775	HIS	0	0.076	0.042	46.301	0.002	0.002	0.000	0.000	0.000	0.000
739	A	776	LEU	0	-0.016	-0.008	40.103	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	777	ILE	0	-0.004	0.005	39.096	-0.002	-0.002	0.000	0.000	0.000	0.000
741	A	778	THR	0	-0.030	-0.014	36.386	0.003	0.003	0.000	0.000	0.000	0.000
742	A	779	PHE	0	0.004	0.000	33.989	-0.004	-0.004	0.000	0.000	0.000	0.000
743	A	780	ASN	0	-0.023	-0.007	32.195	0.003	0.003	0.000	0.000	0.000	0.000
744	A	781	VAL	0	0.020	0.013	28.151	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	782	THR	0	0.013	0.010	28.886	-0.003	-0.003	0.000	0.000	0.000	0.000
746	A	783	GLY	0	0.020	0.010	27.885	0.002	0.002	0.000	0.000	0.000	0.000
747	A	784	GLN	0	0.007	-0.007	23.793	0.011	0.011	0.000	0.000	0.000	0.000
748	A	785	GLY	0	-0.021	-0.035	23.959	-0.008	-0.008	0.000	0.000	0.000	0.000
749	A	786	GLU	-1	-0.907	-0.931	21.660	-0.120	-0.120	0.000	0.000	0.000	0.000
750	A	787	LEU	0	-0.045	-0.020	25.022	0.003	0.003	0.000	0.000	0.000	0.000
751	A	788	ALA	0	0.034	0.017	25.373	0.004	0.004	0.000	0.000	0.000	0.000
752	A	789	GLY	0	-0.011	-0.014	26.490	0.014	0.014	0.000	0.000	0.000	0.000
753	A	790	VAL	0	-0.035	-0.004	29.809	-0.009	-0.009	0.000	0.000	0.000	0.000
754	A	791	ASP	-1	-0.756	-0.885	33.564	0.004	0.004	0.000	0.000	0.000	0.000
755	A	792	ASN	0	-0.043	-0.045	36.431	-0.002	-0.002	0.000	0.000	0.000	0.000
756	A	793	GLY	0	-0.013	0.009	39.254	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	794	ASN	0	0.029	0.028	40.908	0.003	0.003	0.000	0.000	0.000	0.000
758	A	795	ALA	0	0.056	0.029	41.911	0.002	0.002	0.000	0.000	0.000	0.000
759	A	796	SER	0	-0.047	-0.036	42.870	0.003	0.003	0.000	0.000	0.000	0.000
760	A	797	SER	0	-0.078	-0.046	41.166	0.001	0.001	0.000	0.000	0.000	0.000
761	A	798	VAL	0	0.014	-0.013	39.432	0.002	0.002	0.000	0.000	0.000	0.000
762	A	799	GLU	-1	-0.771	-0.843	37.978	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	800	ARG	1	0.817	0.892	29.192	-0.029	-0.029	0.000	0.000	0.000	0.000
764	A	801	TYR	0	0.054	0.025	31.547	-0.004	-0.004	0.000	0.000	0.000	0.000
765	A	802	LYS	1	0.824	0.915	25.775	-0.015	-0.015	0.000	0.000	0.000	0.000
766	A	803	ASP	-1	-0.775	-0.880	29.684	0.000	0.000	0.000	0.000	0.000	0.000
767	A	804	ASN	0	0.002	-0.038	31.125	0.001	0.001	0.000	0.000	0.000	0.000
768	A	805	LYS	1	0.828	0.917	32.770	0.011	0.011	0.000	0.000	0.000	0.000
769	A	806	ARG	1	0.834	0.924	35.872	0.005	0.005	0.000	0.000	0.000	0.000
770	A	807	LYS	1	0.815	0.891	38.605	0.003	0.003	0.000	0.000	0.000	0.000
771	A	808	ALA	0	-0.014	0.012	41.738	0.000	0.000	0.000	0.000	0.000	0.000
772	A	809	PHE	0	-0.013	-0.015	43.833	0.003	0.003	0.000	0.000	0.000	0.000
773	A	810	SER	0	0.004	-0.004	45.534	-0.002	-0.002	0.000	0.000	0.000	0.000
774	A	811	GLY	0	0.053	0.036	47.734	-0.002	-0.002	0.000	0.000	0.000	0.000
775	A	812	LYS	1	0.786	0.885	43.143	0.028	0.028	0.000	0.000	0.000	0.000
776	A	813	ALA	0	0.017	0.009	39.293	0.004	0.004	0.000	0.000	0.000	0.000
777	A	814	LEU	0	-0.043	-0.005	34.409	-0.004	-0.004	0.000	0.000	0.000	0.000
778	A	815	ALA	0	0.016	0.013	33.121	0.004	0.004	0.000	0.000	0.000	0.000
779	A	816	ILE	0	-0.012	-0.002	28.591	-0.005	-0.005	0.000	0.000	0.000	0.000
780	A	817	VAL	0	-0.005	-0.004	27.321	0.001	0.001	0.000	0.000	0.000	0.000
781	A	818	GLN	0	0.003	0.010	20.378	0.014	0.014	0.000	0.000	0.000	0.000
782	A	819	SER	0	-0.017	0.000	23.240	-0.007	-0.007	0.000	0.000	0.000	0.000
783	A	820	SER	0	0.036	0.015	19.711	-0.011	-0.011	0.000	0.000	0.000	0.000
784	A	821	LYS	1	0.883	0.899	12.307	0.558	0.558	0.000	0.000	0.000	0.000
785	A	822	LEU	0	-0.015	0.006	18.151	-0.029	-0.029	0.000	0.000	0.000	0.000
786	A	823	SER	0	-0.013	-0.015	21.043	0.027	0.027	0.000	0.000	0.000	0.000
787	A	824	GLY	0	0.006	0.000	24.433	-0.004	-0.004	0.000	0.000	0.000	0.000
788	A	825	LYS	1	0.841	0.910	27.440	0.133	0.133	0.000	0.000	0.000	0.000
789	A	826	ILE	0	0.025	0.042	26.607	-0.003	-0.003	0.000	0.000	0.000	0.000
790	A	827	THR	0	-0.042	-0.018	29.931	0.004	0.004	0.000	0.000	0.000	0.000
791	A	828	VAL	0	0.020	0.018	31.888	0.000	0.000	0.000	0.000	0.000	0.000
792	A	829	HIS	0	0.026	0.011	34.064	0.002	0.002	0.000	0.000	0.000	0.000
793	A	830	ALA	0	0.016	-0.005	36.322	0.003	0.003	0.000	0.000	0.000	0.000
794	A	831	SER	0	0.003	0.001	38.975	0.001	0.001	0.000	0.000	0.000	0.000
795	A	832	VAL	0	0.048	0.016	41.655	0.002	0.002	0.000	0.000	0.000	0.000
796	A	833	ALA	0	-0.023	-0.006	44.488	-0.001	-0.001	0.000	0.000	0.000	0.000
797	A	834	GLY	0	0.014	0.006	46.903	0.001	0.001	0.000	0.000	0.000	0.000
798	A	835	LEU	0	-0.025	0.008	47.573	0.000	0.000	0.000	0.000	0.000	0.000
799	A	836	SER	0	-0.038	-0.017	47.516	-0.002	-0.002	0.000	0.000	0.000	0.000
800	A	837	SER	0	-0.016	-0.031	42.078	0.000	0.000	0.000	0.000	0.000	0.000
801	A	838	ASP	-1	-0.783	-0.870	41.891	-0.056	-0.056	0.000	0.000	0.000	0.000
802	A	839	SER	0	-0.075	-0.058	38.283	-0.003	-0.003	0.000	0.000	0.000	0.000
803	A	840	THR	0	0.020	0.026	36.341	-0.002	-0.002	0.000	0.000	0.000	0.000
804	A	841	SER	0	-0.048	-0.051	33.697	-0.004	-0.004	0.000	0.000	0.000	0.000
805	A	842	VAL	0	-0.008	0.015	30.764	0.004	0.004	0.000	0.000	0.000	0.000
806	A	843	PHE	0	-0.011	0.001	30.861	-0.006	-0.006	0.000	0.000	0.000	0.000
807	A	844	THR	0	0.004	-0.003	25.377	0.002	0.002	0.000	0.000	0.000	0.000
808	A	845	VAL	0	0.025	0.008	26.866	-0.010	-0.010	0.000	0.000	0.000	0.000
809	A	846	THR	0	0.065	0.034	21.312	0.008	0.008	0.000	0.000	0.000	0.000
810	A	847	PRO	0	0.010	0.018	21.782	0.021	0.021	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:38:SER)