FMO DATABASE

FMODB ID: 16NJZ

Calculation Name: 1LNS-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1LNS

Chain ID: A

ChEMBL ID:

UniProt ID: P22346

Base Structure: X-ray

Registration Date: 2023-09-27

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	763
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-20696338.23795
FMO2-HF: Nuclear repulsion	20391659.863729
FMO2-HF: Total energy	-304678.374222
FMO2-MP2: Total energy	-305579.849452

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

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

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

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-21.19	-11.606	7.896	-5.644	-11.836	-0.012

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.017 / q_NPA : -0.004

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	PHE	0	0.008	0.009	3.076	-1.379	2.353	0.097	-1.720	-2.109	0.004
4	A	4	ASN	0	-0.067	-0.058	6.005	-0.220	-0.220	0.000	0.000	0.000	0.000
5	A	5	HIS	0	0.067	0.035	9.036	0.412	0.412	0.000	0.000	0.000	0.000
6	A	6	PHE	0	-0.035	-0.034	12.565	-0.069	-0.069	0.000	0.000	0.000	0.000
7	A	7	SER	0	-0.078	-0.049	15.229	0.039	0.039	0.000	0.000	0.000	0.000
8	A	8	ILE	0	-0.009	-0.001	14.312	0.037	0.037	0.000	0.000	0.000	0.000
9	A	9	VAL	0	-0.023	0.003	18.203	-0.030	-0.030	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.904	-0.947	21.976	-0.255	-0.255	0.000	0.000	0.000	0.000
11	A	11	LYS	1	0.868	0.950	23.658	0.081	0.081	0.000	0.000	0.000	0.000
12	A	12	ASN	0	-0.013	0.005	26.305	-0.027	-0.027	0.000	0.000	0.000	0.000
13	A	13	PHE	0	0.068	0.024	27.538	0.011	0.011	0.000	0.000	0.000	0.000
14	A	14	ASP	-1	-0.911	-0.965	29.228	-0.071	-0.071	0.000	0.000	0.000	0.000
15	A	15	GLU	-1	-0.908	-0.954	28.984	-0.074	-0.074	0.000	0.000	0.000	0.000
16	A	16	GLN	0	-0.007	-0.014	24.788	0.013	0.013	0.000	0.000	0.000	0.000
17	A	17	LEU	0	0.004	-0.005	27.169	0.015	0.015	0.000	0.000	0.000	0.000
18	A	18	ALA	0	-0.009	0.012	29.545	0.013	0.013	0.000	0.000	0.000	0.000
19	A	19	GLU	-1	-0.789	-0.859	25.490	-0.009	-0.009	0.000	0.000	0.000	0.000
20	A	20	LEU	0	-0.018	-0.015	23.486	0.018	0.018	0.000	0.000	0.000	0.000
21	A	21	ASP	-1	-0.912	-0.953	27.087	0.026	0.026	0.000	0.000	0.000	0.000
22	A	22	GLN	0	-0.044	-0.027	29.545	0.002	0.002	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.070	-0.024	23.468	0.015	0.015	0.000	0.000	0.000	0.000
24	A	24	GLY	0	-0.032	-0.008	27.120	0.014	0.014	0.000	0.000	0.000	0.000
25	A	25	PHE	0	-0.047	-0.024	22.621	-0.003	-0.003	0.000	0.000	0.000	0.000
26	A	26	ARG	1	0.932	0.973	28.021	-0.047	-0.047	0.000	0.000	0.000	0.000
27	A	27	TRP	0	-0.040	-0.029	23.428	-0.007	-0.007	0.000	0.000	0.000	0.000
28	A	28	SER	0	-0.022	-0.022	31.186	-0.002	-0.002	0.000	0.000	0.000	0.000
29	A	29	VAL	0	0.096	0.030	31.897	-0.002	-0.002	0.000	0.000	0.000	0.000
30	A	30	PHE	0	-0.045	-0.013	32.983	-0.006	-0.006	0.000	0.000	0.000	0.000
31	A	31	TRP	0	-0.050	-0.016	30.139	0.007	0.007	0.000	0.000	0.000	0.000
32	A	32	ASP	-1	-0.811	-0.902	30.120	-0.094	-0.094	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.780	-0.907	25.870	-0.121	-0.121	0.000	0.000	0.000	0.000
34	A	34	LYS	1	0.825	0.923	25.726	0.087	0.087	0.000	0.000	0.000	0.000
35	A	35	LYS	1	0.850	0.939	26.539	0.026	0.026	0.000	0.000	0.000	0.000
36	A	36	ILE	0	0.035	0.012	24.700	0.016	0.016	0.000	0.000	0.000	0.000
37	A	37	LEU	0	0.011	0.019	20.126	0.015	0.015	0.000	0.000	0.000	0.000
38	A	38	LYS	1	0.912	0.949	23.064	0.007	0.007	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.906	-0.957	25.224	0.040	0.040	0.000	0.000	0.000	0.000
40	A	40	PHE	0	0.023	0.009	17.958	0.018	0.018	0.000	0.000	0.000	0.000
41	A	41	LEU	0	0.006	-0.003	18.464	0.021	0.021	0.000	0.000	0.000	0.000
42	A	42	ILE	0	-0.069	-0.029	21.894	0.020	0.020	0.000	0.000	0.000	0.000
43	A	43	GLN	0	-0.054	-0.019	25.176	0.020	0.020	0.000	0.000	0.000	0.000
44	A	44	SER	0	-0.048	0.004	20.344	0.018	0.018	0.000	0.000	0.000	0.000
45	A	45	PRO	0	-0.001	-0.015	20.066	-0.009	-0.009	0.000	0.000	0.000	0.000
46	A	46	SER	0	-0.067	-0.018	17.295	0.024	0.024	0.000	0.000	0.000	0.000
47	A	47	ASP	-1	-0.820	-0.920	18.164	0.181	0.181	0.000	0.000	0.000	0.000
48	A	48	MET	0	-0.015	-0.020	18.811	-0.011	-0.011	0.000	0.000	0.000	0.000
49	A	49	THR	0	-0.114	-0.074	20.521	-0.019	-0.019	0.000	0.000	0.000	0.000
50	A	50	ALA	0	0.032	0.034	17.111	-0.009	-0.009	0.000	0.000	0.000	0.000
51	A	51	LEU	0	-0.043	-0.001	14.763	-0.004	-0.004	0.000	0.000	0.000	0.000
52	A	52	GLN	0	0.001	-0.013	15.464	0.000	0.000	0.000	0.000	0.000	0.000
53	A	53	ALA	0	-0.013	-0.005	16.371	-0.023	-0.023	0.000	0.000	0.000	0.000
54	A	54	THR	0	0.024	-0.005	18.426	-0.041	-0.041	0.000	0.000	0.000	0.000
55	A	55	ALA	0	0.009	0.005	18.766	0.020	0.020	0.000	0.000	0.000	0.000
56	A	56	GLU	-1	-0.986	-0.996	19.707	-0.107	-0.107	0.000	0.000	0.000	0.000
57	A	57	LEU	0	-0.030	-0.001	21.845	0.016	0.016	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.781	-0.867	20.149	0.017	0.017	0.000	0.000	0.000	0.000
59	A	59	VAL	0	0.045	-0.005	18.931	-0.020	-0.020	0.000	0.000	0.000	0.000
60	A	60	ILE	0	-0.033	-0.011	21.627	-0.011	-0.011	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.887	-0.959	24.647	-0.007	-0.007	0.000	0.000	0.000	0.000
62	A	62	PHE	0	0.008	0.004	23.000	-0.008	-0.008	0.000	0.000	0.000	0.000
63	A	63	LEU	0	-0.044	-0.026	24.509	-0.007	-0.007	0.000	0.000	0.000	0.000
64	A	64	LYS	1	0.866	0.939	26.871	-0.014	-0.014	0.000	0.000	0.000	0.000
65	A	65	SER	0	-0.062	-0.010	27.372	-0.006	-0.006	0.000	0.000	0.000	0.000
66	A	66	SER	0	-0.017	-0.028	29.807	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	67	ILE	0	-0.013	0.006	25.393	-0.006	-0.006	0.000	0.000	0.000	0.000
68	A	68	GLU	-1	-0.816	-0.884	27.628	-0.112	-0.112	0.000	0.000	0.000	0.000
69	A	69	LEU	0	-0.030	-0.046	20.871	-0.010	-0.010	0.000	0.000	0.000	0.000
70	A	70	ASP	-1	-0.819	-0.899	21.096	-0.293	-0.293	0.000	0.000	0.000	0.000
71	A	71	TRP	0	0.023	-0.031	18.094	-0.007	-0.007	0.000	0.000	0.000	0.000
72	A	72	GLH	0	-0.022	-0.019	15.614	-0.047	-0.047	0.000	0.000	0.000	0.000
73	A	73	ILE	0	-0.028	-0.010	16.377	-0.008	-0.008	0.000	0.000	0.000	0.000
74	A	74	PHE	0	-0.008	-0.002	15.911	0.031	0.031	0.000	0.000	0.000	0.000
75	A	75	TRP	0	0.062	0.016	11.143	-0.010	-0.010	0.000	0.000	0.000	0.000
76	A	76	ASN	0	0.035	0.016	12.421	-0.061	-0.061	0.000	0.000	0.000	0.000
77	A	77	ILE	0	-0.005	0.007	12.694	0.062	0.062	0.000	0.000	0.000	0.000
78	A	78	ALA	0	0.016	0.008	13.303	0.077	0.077	0.000	0.000	0.000	0.000
79	A	79	LEU	0	-0.005	-0.007	7.563	0.094	0.094	0.000	0.000	0.000	0.000
80	A	80	GLN	0	-0.003	-0.021	8.619	0.257	0.257	0.000	0.000	0.000	0.000
81	A	81	LEU	0	-0.005	0.014	10.722	0.153	0.153	0.000	0.000	0.000	0.000
82	A	82	LEU	0	-0.046	-0.021	8.516	0.111	0.111	0.000	0.000	0.000	0.000
83	A	83	ASP	-1	-0.838	-0.917	7.176	1.848	1.848	0.000	0.000	0.000	0.000
84	A	84	PHE	0	-0.062	-0.022	2.530	-0.806	0.213	0.618	-0.330	-1.307	-0.003
85	A	85	VAL	0	0.015	-0.010	5.813	-0.052	-0.052	0.000	0.000	0.000	0.000
86	A	86	PRO	0	0.047	0.032	7.923	-0.159	-0.159	0.000	0.000	0.000	0.000
87	A	87	ASN	0	-0.081	-0.057	10.352	0.045	0.045	0.000	0.000	0.000	0.000
88	A	88	PHE	0	-0.080	-0.034	8.976	0.034	0.034	0.000	0.000	0.000	0.000
89	A	89	ASP	-1	-0.828	-0.894	4.125	0.113	0.412	0.002	-0.047	-0.253	0.000
90	A	90	PHE	0	-0.044	-0.022	5.823	-0.333	-0.333	0.000	0.000	0.000	0.000
91	A	91	GLU	-1	-0.896	-0.950	8.194	-0.283	-0.283	0.000	0.000	0.000	0.000
92	A	92	ILE	0	0.030	0.018	11.903	-0.079	-0.079	0.000	0.000	0.000	0.000
93	A	93	GLY	0	-0.049	-0.030	14.214	0.017	0.017	0.000	0.000	0.000	0.000
94	A	94	LYS	1	0.848	0.931	12.682	0.514	0.514	0.000	0.000	0.000	0.000
95	A	95	ALA	0	0.054	0.036	11.150	-0.199	-0.199	0.000	0.000	0.000	0.000
96	A	96	PHE	0	0.000	0.009	10.944	-0.198	-0.198	0.000	0.000	0.000	0.000
97	A	97	GLU	-1	-0.824	-0.923	11.384	-0.966	-0.966	0.000	0.000	0.000	0.000
98	A	98	TYR	0	-0.027	-0.005	2.898	-1.522	-0.694	0.104	-0.296	-0.635	-0.002
99	A	99	ALA	0	0.039	0.009	6.586	-0.882	-0.882	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.954	0.991	8.357	0.802	0.802	0.000	0.000	0.000	0.000
101	A	101	ASN	0	-0.063	-0.043	6.188	0.115	0.115	0.000	0.000	0.000	0.000
102	A	102	SER	0	-0.042	-0.003	4.044	-2.267	-2.046	-0.001	-0.084	-0.136	0.000
103	A	103	ASN	0	-0.129	-0.075	5.029	0.431	0.520	-0.001	-0.006	-0.082	0.000
104	A	104	LEU	0	-0.009	0.007	6.905	0.346	0.346	0.000	0.000	0.000	0.000
105	A	105	PRO	0	0.017	0.006	9.448	0.006	0.006	0.000	0.000	0.000	0.000
106	A	106	GLN	0	-0.031	-0.023	12.532	-0.008	-0.008	0.000	0.000	0.000	0.000
107	A	107	ILE	0	-0.001	0.017	15.157	0.018	0.018	0.000	0.000	0.000	0.000
108	A	108	GLU	-1	-0.954	-0.981	16.560	-0.751	-0.751	0.000	0.000	0.000	0.000
109	A	109	ALA	0	-0.002	-0.008	20.040	0.029	0.029	0.000	0.000	0.000	0.000
110	A	110	GLU	-1	-0.939	-0.969	23.092	-0.230	-0.230	0.000	0.000	0.000	0.000
111	A	111	MET	0	-0.030	0.012	22.062	0.004	0.004	0.000	0.000	0.000	0.000
112	A	112	THR	0	0.034	0.020	25.459	0.016	0.016	0.000	0.000	0.000	0.000
113	A	113	THR	0	0.061	0.003	26.569	-0.010	-0.010	0.000	0.000	0.000	0.000
114	A	114	GLU	-1	-0.932	-0.964	27.323	-0.138	-0.138	0.000	0.000	0.000	0.000
115	A	115	ASN	0	0.006	-0.026	23.924	0.006	0.006	0.000	0.000	0.000	0.000
116	A	116	ILE	0	-0.040	-0.013	21.672	-0.019	-0.019	0.000	0.000	0.000	0.000
117	A	117	ILE	0	-0.023	-0.007	22.547	0.008	0.008	0.000	0.000	0.000	0.000
118	A	118	SER	0	0.010	-0.002	22.653	0.010	0.010	0.000	0.000	0.000	0.000
119	A	119	ALA	0	-0.025	-0.002	18.578	-0.009	-0.009	0.000	0.000	0.000	0.000
120	A	120	PHE	0	-0.013	-0.017	18.155	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	121	TYR	0	-0.025	-0.043	19.429	0.030	0.030	0.000	0.000	0.000	0.000
122	A	122	TYR	0	0.072	0.009	17.149	0.032	0.032	0.000	0.000	0.000	0.000
123	A	123	LEU	0	-0.034	0.020	13.359	-0.003	-0.003	0.000	0.000	0.000	0.000
124	A	124	LEU	0	-0.019	-0.014	14.977	0.073	0.073	0.000	0.000	0.000	0.000
125	A	125	CYS	0	-0.075	-0.021	16.567	0.066	0.066	0.000	0.000	0.000	0.000
126	A	126	THR	0	-0.059	-0.033	10.402	-0.074	-0.074	0.000	0.000	0.000	0.000
127	A	127	ARG	1	0.747	0.869	8.541	-0.554	-0.554	0.000	0.000	0.000	0.000
128	A	128	ARG	1	0.890	0.969	8.999	-1.006	-1.006	0.000	0.000	0.000	0.000
129	A	129	LYS	1	0.860	0.918	2.067	-2.427	-3.599	4.786	-0.679	-2.936	0.000
130	A	130	THR	0	-0.009	-0.028	5.498	1.311	1.483	-0.001	-0.012	-0.159	0.000
131	A	131	GLY	0	-0.020	-0.018	8.143	-0.316	-0.316	0.000	0.000	0.000	0.000
132	A	132	MET	0	0.011	0.017	9.858	-0.294	-0.294	0.000	0.000	0.000	0.000
133	A	133	ILE	0	-0.009	0.001	12.072	0.076	0.076	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.029	0.019	13.759	0.034	0.034	0.000	0.000	0.000	0.000
135	A	135	VAL	0	0.022	0.009	15.120	0.021	0.021	0.000	0.000	0.000	0.000
136	A	136	GLU	-1	-0.810	-0.898	17.248	0.295	0.295	0.000	0.000	0.000	0.000
137	A	137	HIS	0	0.006	0.016	14.702	0.058	0.058	0.000	0.000	0.000	0.000
138	A	138	TRP	0	0.095	0.040	16.470	-0.030	-0.030	0.000	0.000	0.000	0.000
139	A	139	VAL	0	-0.018	0.003	19.275	-0.024	-0.024	0.000	0.000	0.000	0.000
140	A	140	SER	0	-0.114	-0.073	18.951	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	141	GLU	-1	-0.939	-0.978	18.342	0.469	0.469	0.000	0.000	0.000	0.000
142	A	142	GLY	0	-0.097	-0.057	21.512	-0.023	-0.023	0.000	0.000	0.000	0.000
143	A	143	LEU	0	-0.009	0.007	21.807	-0.020	-0.020	0.000	0.000	0.000	0.000
144	A	144	LEU	0	0.020	0.021	24.534	-0.024	-0.024	0.000	0.000	0.000	0.000
145	A	145	PRO	0	0.011	0.017	27.375	0.021	0.021	0.000	0.000	0.000	0.000
146	A	146	LEU	0	0.002	-0.004	27.545	0.002	0.002	0.000	0.000	0.000	0.000
147	A	147	ASP	-1	-0.826	-0.916	30.911	0.105	0.105	0.000	0.000	0.000	0.000
148	A	148	ASN	0	-0.073	-0.031	32.543	0.001	0.001	0.000	0.000	0.000	0.000
149	A	149	HIS	0	-0.013	0.011	33.019	-0.013	-0.013	0.000	0.000	0.000	0.000
150	A	150	TYR	0	-0.017	-0.024	30.149	0.008	0.008	0.000	0.000	0.000	0.000
151	A	151	HIS	0	-0.017	-0.012	28.291	-0.012	-0.012	0.000	0.000	0.000	0.000
152	A	152	PHE	0	-0.038	-0.037	26.631	0.011	0.011	0.000	0.000	0.000	0.000
153	A	153	PHE	0	0.036	0.014	20.178	-0.003	-0.003	0.000	0.000	0.000	0.000
154	A	154	ASN	0	0.004	-0.022	20.419	0.008	0.008	0.000	0.000	0.000	0.000
155	A	155	ASP	-1	-0.826	-0.925	22.664	-0.043	-0.043	0.000	0.000	0.000	0.000
156	A	156	LYS	1	0.835	0.927	18.742	0.012	0.012	0.000	0.000	0.000	0.000
157	A	157	SER	0	-0.064	-0.043	23.531	-0.003	-0.003	0.000	0.000	0.000	0.000
158	A	158	LEU	0	0.055	0.020	22.273	0.027	0.027	0.000	0.000	0.000	0.000
159	A	159	ALA	0	-0.006	-0.004	23.330	-0.008	-0.008	0.000	0.000	0.000	0.000
160	A	160	THR	0	-0.014	-0.017	25.111	0.015	0.015	0.000	0.000	0.000	0.000
161	A	161	PHE	0	-0.026	-0.008	28.446	-0.013	-0.013	0.000	0.000	0.000	0.000
162	A	162	ASP	-1	-0.842	-0.916	29.095	0.206	0.206	0.000	0.000	0.000	0.000
163	A	163	SER	0	-0.004	-0.007	27.848	-0.014	-0.014	0.000	0.000	0.000	0.000
164	A	164	SER	0	-0.086	-0.060	30.259	-0.007	-0.007	0.000	0.000	0.000	0.000
165	A	165	LEU	0	-0.063	-0.037	32.974	-0.013	-0.013	0.000	0.000	0.000	0.000
166	A	166	LEU	0	-0.039	0.006	30.145	-0.010	-0.010	0.000	0.000	0.000	0.000
167	A	167	GLU	-1	-0.985	-0.979	34.799	0.113	0.113	0.000	0.000	0.000	0.000
168	A	168	ARG	1	0.952	0.968	31.568	-0.188	-0.188	0.000	0.000	0.000	0.000
169	A	169	GLU	-1	-0.846	-0.926	38.063	0.092	0.092	0.000	0.000	0.000	0.000
170	A	170	VAL	0	-0.017	-0.008	40.260	0.004	0.004	0.000	0.000	0.000	0.000
171	A	171	LEU	0	-0.010	0.003	42.709	-0.004	-0.004	0.000	0.000	0.000	0.000
172	A	172	TRP	0	-0.047	-0.035	44.232	0.004	0.004	0.000	0.000	0.000	0.000
173	A	173	VAL	0	0.026	0.021	43.618	-0.004	-0.004	0.000	0.000	0.000	0.000
174	A	174	GLU	-1	-0.870	-0.939	46.468	0.045	0.045	0.000	0.000	0.000	0.000
175	A	175	SER	0	-0.012	-0.001	46.720	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	176	PRO	0	0.010	0.007	47.268	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	177	VAL	0	0.016	0.015	47.191	-0.003	-0.003	0.000	0.000	0.000	0.000
178	A	178	ASP	-1	-0.723	-0.863	50.378	0.042	0.042	0.000	0.000	0.000	0.000
179	A	179	SER	0	-0.044	-0.018	48.875	-0.001	-0.001	0.000	0.000	0.000	0.000
180	A	180	GLU	-1	-0.926	-0.976	51.011	0.055	0.055	0.000	0.000	0.000	0.000
181	A	181	GLN	0	-0.061	-0.028	53.901	0.000	0.000	0.000	0.000	0.000	0.000
182	A	182	ARG	1	0.881	0.937	53.167	-0.050	-0.050	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.045	-0.017	57.827	-0.001	-0.001	0.000	0.000	0.000	0.000
184	A	184	GLU	-1	-1.055	-1.041	56.414	0.044	0.044	0.000	0.000	0.000	0.000
185	A	185	ASN	0	-0.073	-0.043	52.116	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.807	-0.884	48.838	0.054	0.054	0.000	0.000	0.000	0.000
187	A	187	LEU	0	-0.064	-0.034	48.931	0.000	0.000	0.000	0.000	0.000	0.000
188	A	188	ILE	0	0.008	-0.005	42.469	0.003	0.003	0.000	0.000	0.000	0.000
189	A	189	LYS	1	0.921	0.972	41.101	-0.110	-0.110	0.000	0.000	0.000	0.000
190	A	190	ILE	0	-0.014	-0.006	39.519	0.003	0.003	0.000	0.000	0.000	0.000
191	A	191	GLN	0	-0.014	0.005	36.418	0.004	0.004	0.000	0.000	0.000	0.000
192	A	192	ILE	0	0.001	-0.001	36.734	0.002	0.002	0.000	0.000	0.000	0.000
193	A	193	ILE	0	0.034	0.011	31.883	0.002	0.002	0.000	0.000	0.000	0.000
194	A	194	ARG	1	0.893	0.953	33.790	-0.099	-0.099	0.000	0.000	0.000	0.000
195	A	195	PRO	0	0.089	0.057	32.143	0.001	0.001	0.000	0.000	0.000	0.000
196	A	196	LYS	1	0.940	0.970	34.325	-0.109	-0.109	0.000	0.000	0.000	0.000
197	A	197	SER	0	0.080	0.025	35.899	0.003	0.003	0.000	0.000	0.000	0.000
198	A	198	THR	0	-0.081	-0.030	37.855	-0.002	-0.002	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.924	-0.957	36.959	0.057	0.057	0.000	0.000	0.000	0.000
200	A	200	LYS	1	0.852	0.921	38.762	-0.044	-0.044	0.000	0.000	0.000	0.000
201	A	201	LEU	0	0.012	-0.004	34.159	0.000	0.000	0.000	0.000	0.000	0.000
202	A	202	PRO	0	0.037	0.032	32.173	-0.003	-0.003	0.000	0.000	0.000	0.000
203	A	203	VAL	0	-0.069	-0.045	33.469	0.010	0.010	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.033	0.025	27.531	-0.009	-0.009	0.000	0.000	0.000	0.000
205	A	205	MET	0	-0.052	-0.027	30.885	0.010	0.010	0.000	0.000	0.000	0.000
206	A	206	THR	0	0.006	0.022	29.266	0.002	0.002	0.000	0.000	0.000	0.000
207	A	207	ALA	0	0.031	0.006	31.773	0.002	0.002	0.000	0.000	0.000	0.000
208	A	208	SER	0	0.030	-0.007	32.082	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	209	PRO	0	0.014	0.005	34.088	0.004	0.004	0.000	0.000	0.000	0.000
210	A	210	TYR	0	0.040	-0.003	31.466	0.000	0.000	0.000	0.000	0.000	0.000
211	A	211	HIS	0	-0.028	-0.018	33.055	0.007	0.007	0.000	0.000	0.000	0.000
212	A	212	LEU	0	-0.070	-0.038	34.695	0.006	0.006	0.000	0.000	0.000	0.000
213	A	213	GLY	0	-0.034	-0.019	36.522	-0.003	-0.003	0.000	0.000	0.000	0.000
214	A	214	ILE	0	0.015	0.027	34.810	-0.007	-0.007	0.000	0.000	0.000	0.000
215	A	215	ASN	0	-0.045	-0.023	37.735	0.006	0.006	0.000	0.000	0.000	0.000
216	A	216	ASP	-1	-0.813	-0.922	36.065	0.141	0.141	0.000	0.000	0.000	0.000
217	A	217	LYS	1	0.938	0.973	39.019	-0.100	-0.100	0.000	0.000	0.000	0.000
218	A	218	ALA	0	-0.035	-0.018	42.452	-0.005	-0.005	0.000	0.000	0.000	0.000
219	A	219	ASN	0	0.031	0.019	37.850	-0.006	-0.006	0.000	0.000	0.000	0.000
220	A	220	ASP	-1	-0.883	-0.962	38.911	0.110	0.110	0.000	0.000	0.000	0.000
221	A	221	LEU	0	-0.119	-0.060	41.465	-0.005	-0.005	0.000	0.000	0.000	0.000
222	A	222	ALA	0	0.000	0.012	43.580	-0.005	-0.005	0.000	0.000	0.000	0.000
223	A	223	LEU	0	-0.035	0.000	38.719	-0.004	-0.004	0.000	0.000	0.000	0.000
224	A	224	HIS	1	0.770	0.867	42.721	-0.060	-0.060	0.000	0.000	0.000	0.000
225	A	225	ASP	-1	-0.853	-0.923	43.276	0.055	0.055	0.000	0.000	0.000	0.000
226	A	226	MET	0	-0.004	0.005	40.514	-0.003	-0.003	0.000	0.000	0.000	0.000
227	A	227	ASN	0	-0.068	-0.034	44.086	0.000	0.000	0.000	0.000	0.000	0.000
228	A	228	VAL	0	-0.008	0.000	46.575	0.000	0.000	0.000	0.000	0.000	0.000
229	A	229	GLU	-1	-0.946	-0.978	48.715	0.019	0.019	0.000	0.000	0.000	0.000
230	A	230	LEU	0	-0.082	-0.030	47.160	0.001	0.001	0.000	0.000	0.000	0.000
231	A	231	GLU	-1	-0.913	-0.967	50.108	0.017	0.017	0.000	0.000	0.000	0.000
232	A	232	GLU	-1	-0.906	-0.909	51.874	0.003	0.003	0.000	0.000	0.000	0.000
233	A	233	LYS	1	0.734	0.846	47.571	-0.006	-0.006	0.000	0.000	0.000	0.000
234	A	234	THR	0	0.043	0.020	54.448	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	235	SER	0	-0.055	-0.006	56.241	0.000	0.000	0.000	0.000	0.000	0.000
236	A	236	HIS	0	-0.094	-0.067	53.612	0.002	0.002	0.000	0.000	0.000	0.000
237	A	237	GLU	-1	-0.916	-0.956	53.611	-0.011	-0.011	0.000	0.000	0.000	0.000
238	A	238	ILE	0	-0.052	-0.022	49.546	0.002	0.002	0.000	0.000	0.000	0.000
239	A	239	HIS	0	-0.026	-0.010	52.700	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	240	VAL	0	-0.018	-0.014	48.885	0.003	0.003	0.000	0.000	0.000	0.000
241	A	241	GLU	-1	-0.937	-0.964	52.110	0.001	0.001	0.000	0.000	0.000	0.000
242	A	242	GLN	0	-0.081	-0.034	46.859	0.003	0.003	0.000	0.000	0.000	0.000
243	A	243	LYS	1	0.992	0.993	50.138	-0.018	-0.018	0.000	0.000	0.000	0.000
244	A	244	LEU	0	0.011	0.009	46.180	0.003	0.003	0.000	0.000	0.000	0.000
245	A	245	PRO	0	-0.007	-0.006	47.748	0.000	0.000	0.000	0.000	0.000	0.000
246	A	246	GLN	0	-0.008	-0.006	50.762	0.000	0.000	0.000	0.000	0.000	0.000
247	A	247	LYS	1	0.942	0.982	46.841	-0.024	-0.024	0.000	0.000	0.000	0.000
248	A	248	LEU	0	0.018	0.019	52.250	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	249	SER	0	-0.016	-0.020	53.537	0.001	0.001	0.000	0.000	0.000	0.000
250	A	250	ALA	0	0.029	0.029	54.902	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	251	LYS	1	0.951	0.971	56.672	-0.035	-0.035	0.000	0.000	0.000	0.000
252	A	252	ALA	0	0.012	0.003	58.546	0.001	0.001	0.000	0.000	0.000	0.000
253	A	253	LYS	1	0.873	0.933	54.940	-0.040	-0.040	0.000	0.000	0.000	0.000
254	A	254	GLU	-1	-0.932	-0.965	59.465	0.031	0.031	0.000	0.000	0.000	0.000
255	A	255	LEU	0	-0.031	-0.008	56.127	0.000	0.000	0.000	0.000	0.000	0.000
256	A	256	PRO	0	-0.012	0.005	57.896	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	257	ILE	0	-0.008	-0.021	52.410	0.002	0.002	0.000	0.000	0.000	0.000
258	A	258	VAL	0	-0.037	-0.014	50.423	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	259	ASP	-1	-0.894	-0.945	49.739	0.064	0.064	0.000	0.000	0.000	0.000
260	A	260	LYS	1	0.911	0.959	43.928	-0.091	-0.091	0.000	0.000	0.000	0.000
261	A	261	ALA	0	0.001	0.006	44.739	-0.003	-0.003	0.000	0.000	0.000	0.000
262	A	262	PRO	0	-0.026	-0.014	46.472	0.003	0.003	0.000	0.000	0.000	0.000
263	A	263	TYR	0	-0.006	-0.002	45.781	0.001	0.001	0.000	0.000	0.000	0.000
264	A	264	ARG	1	0.931	0.964	39.366	-0.120	-0.120	0.000	0.000	0.000	0.000
265	A	265	PHE	0	-0.048	-0.021	35.156	-0.004	-0.004	0.000	0.000	0.000	0.000
266	A	266	THR	0	0.016	-0.011	36.512	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	267	HIS	0	0.008	0.004	34.188	0.016	0.016	0.000	0.000	0.000	0.000
268	A	268	GLY	0	-0.011	-0.017	33.051	-0.016	-0.016	0.000	0.000	0.000	0.000
269	A	269	TRP	0	-0.002	0.022	26.366	0.005	0.005	0.000	0.000	0.000	0.000
270	A	270	THR	0	-0.050	-0.060	26.704	-0.019	-0.019	0.000	0.000	0.000	0.000
271	A	271	TYR	0	-0.033	-0.024	21.374	0.032	0.032	0.000	0.000	0.000	0.000
272	A	272	SER	0	0.100	0.053	19.986	-0.030	-0.030	0.000	0.000	0.000	0.000
273	A	273	LEU	0	0.026	0.016	20.022	0.010	0.010	0.000	0.000	0.000	0.000
274	A	274	ASN	0	0.019	0.003	22.217	-0.015	-0.015	0.000	0.000	0.000	0.000
275	A	275	ASP	-1	-0.824	-0.902	23.968	0.272	0.272	0.000	0.000	0.000	0.000
276	A	276	TYR	0	-0.065	-0.049	18.854	-0.018	-0.018	0.000	0.000	0.000	0.000
277	A	277	PHE	0	0.033	0.029	22.814	-0.011	-0.011	0.000	0.000	0.000	0.000
278	A	278	LEU	0	-0.039	0.004	25.605	-0.019	-0.019	0.000	0.000	0.000	0.000
279	A	279	THR	0	-0.048	-0.038	24.601	-0.020	-0.020	0.000	0.000	0.000	0.000
280	A	280	ARG	1	0.850	0.910	20.740	-0.288	-0.288	0.000	0.000	0.000	0.000
281	A	281	GLY	0	0.031	0.040	26.955	-0.019	-0.019	0.000	0.000	0.000	0.000
282	A	282	PHE	0	-0.011	0.003	27.654	-0.018	-0.018	0.000	0.000	0.000	0.000
283	A	283	ALA	0	-0.002	0.002	30.403	0.014	0.014	0.000	0.000	0.000	0.000
284	A	284	SER	0	0.017	0.004	29.899	0.003	0.003	0.000	0.000	0.000	0.000
285	A	285	ILE	0	-0.034	-0.024	32.221	-0.004	-0.004	0.000	0.000	0.000	0.000
286	A	286	TYR	0	0.035	0.030	28.981	0.003	0.003	0.000	0.000	0.000	0.000
287	A	287	VAL	0	0.005	-0.011	34.807	-0.005	-0.005	0.000	0.000	0.000	0.000
288	A	288	ALA	0	0.018	0.007	36.532	0.004	0.004	0.000	0.000	0.000	0.000
289	A	289	GLY	0	0.049	0.017	38.567	-0.003	-0.003	0.000	0.000	0.000	0.000
290	A	290	VAL	0	-0.021	-0.001	41.397	0.003	0.003	0.000	0.000	0.000	0.000
291	A	291	GLY	0	-0.013	0.010	43.631	0.002	0.002	0.000	0.000	0.000	0.000
292	A	292	THR	0	-0.048	-0.042	40.049	0.006	0.006	0.000	0.000	0.000	0.000
293	A	293	ARG	1	0.875	0.917	40.746	-0.120	-0.120	0.000	0.000	0.000	0.000
294	A	294	SER	0	-0.078	-0.051	43.559	0.003	0.003	0.000	0.000	0.000	0.000
295	A	295	SER	0	0.031	0.035	43.764	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	296	ASP	-1	-0.864	-0.912	46.644	0.061	0.061	0.000	0.000	0.000	0.000
297	A	297	GLY	0	0.085	0.019	47.735	0.002	0.002	0.000	0.000	0.000	0.000
298	A	298	PHE	0	0.063	0.029	48.071	0.004	0.004	0.000	0.000	0.000	0.000
299	A	299	GLN	0	0.054	0.024	41.117	-0.005	-0.005	0.000	0.000	0.000	0.000
300	A	300	THR	0	-0.066	-0.052	44.882	0.001	0.001	0.000	0.000	0.000	0.000
301	A	301	SER	0	0.002	-0.007	41.069	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	302	GLY	0	0.066	0.033	39.740	-0.004	-0.004	0.000	0.000	0.000	0.000
303	A	303	ASP	-1	-0.761	-0.842	40.737	0.040	0.040	0.000	0.000	0.000	0.000
304	A	304	TYR	0	0.069	-0.012	41.014	0.003	0.003	0.000	0.000	0.000	0.000
305	A	305	GLN	0	-0.051	-0.015	44.437	0.001	0.001	0.000	0.000	0.000	0.000
306	A	306	GLN	0	0.095	0.053	39.694	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	307	ILE	0	0.006	0.040	38.630	0.004	0.004	0.000	0.000	0.000	0.000
308	A	308	TYR	0	0.002	-0.020	41.355	0.000	0.000	0.000	0.000	0.000	0.000
309	A	309	SER	0	-0.095	-0.060	42.453	0.003	0.003	0.000	0.000	0.000	0.000
310	A	310	MET	0	-0.001	-0.003	37.441	0.006	0.006	0.000	0.000	0.000	0.000
311	A	311	THR	0	0.051	0.012	39.650	0.002	0.002	0.000	0.000	0.000	0.000
312	A	312	ALA	0	0.005	0.019	41.147	-0.002	-0.002	0.000	0.000	0.000	0.000
313	A	313	VAL	0	-0.024	-0.012	38.838	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	314	ILE	0	0.055	0.019	37.158	0.001	0.001	0.000	0.000	0.000	0.000
315	A	315	ASP	-1	-0.823	-0.913	40.697	0.034	0.034	0.000	0.000	0.000	0.000
316	A	316	TRP	0	-0.104	-0.049	41.373	0.000	0.000	0.000	0.000	0.000	0.000
317	A	317	LEU	0	-0.030	-0.027	38.117	0.000	0.000	0.000	0.000	0.000	0.000
318	A	318	ASN	0	-0.053	-0.027	40.576	-0.004	-0.004	0.000	0.000	0.000	0.000
319	A	319	GLY	0	-0.067	-0.018	44.212	-0.004	-0.004	0.000	0.000	0.000	0.000
320	A	320	ARG	1	0.825	0.901	43.060	-0.033	-0.033	0.000	0.000	0.000	0.000
321	A	321	ALA	0	0.001	0.004	46.792	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	322	ARG	1	0.868	0.951	48.698	-0.039	-0.039	0.000	0.000	0.000	0.000
323	A	323	ALA	0	0.064	0.044	46.668	0.002	0.002	0.000	0.000	0.000	0.000
324	A	324	TYR	0	-0.064	-0.061	48.642	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	325	THR	0	0.027	-0.003	48.634	0.004	0.004	0.000	0.000	0.000	0.000
326	A	326	SER	0	-0.010	-0.015	49.301	0.003	0.003	0.000	0.000	0.000	0.000
327	A	327	ARG	1	0.917	0.954	49.110	-0.074	-0.074	0.000	0.000	0.000	0.000
328	A	328	LYS	1	0.937	0.970	52.230	-0.062	-0.062	0.000	0.000	0.000	0.000
329	A	329	LYS	1	0.923	0.980	53.881	-0.052	-0.052	0.000	0.000	0.000	0.000
330	A	330	THR	0	-0.009	-0.014	55.330	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	331	HIS	0	0.018	0.017	53.860	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	332	GLU	-1	-0.867	-0.937	51.781	0.046	0.046	0.000	0.000	0.000	0.000
333	A	333	ILE	0	0.016	0.009	47.002	0.001	0.001	0.000	0.000	0.000	0.000
334	A	334	LYS	1	0.969	0.981	47.946	-0.044	-0.044	0.000	0.000	0.000	0.000
335	A	335	ALA	0	0.076	0.054	42.627	0.003	0.003	0.000	0.000	0.000	0.000
336	A	336	SER	0	-0.056	-0.034	43.875	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	337	TRP	0	0.035	0.000	37.096	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	338	ALA	0	0.030	0.036	39.179	0.003	0.003	0.000	0.000	0.000	0.000
339	A	339	ASN	0	0.003	0.000	35.691	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	340	GLY	0	0.027	0.021	39.466	-0.005	-0.005	0.000	0.000	0.000	0.000
341	A	341	LYS	1	0.887	0.972	35.088	-0.025	-0.025	0.000	0.000	0.000	0.000
342	A	342	VAL	0	-0.051	-0.037	34.185	0.010	0.010	0.000	0.000	0.000	0.000
343	A	343	ALA	0	0.063	0.044	29.313	-0.010	-0.010	0.000	0.000	0.000	0.000
344	A	344	MET	0	-0.047	-0.017	30.875	0.008	0.008	0.000	0.000	0.000	0.000
345	A	345	THR	0	0.018	-0.008	25.925	-0.008	-0.008	0.000	0.000	0.000	0.000
346	A	346	GLY	0	0.039	0.004	26.012	0.003	0.003	0.000	0.000	0.000	0.000
347	A	347	LYS	1	0.902	0.952	22.681	-0.229	-0.229	0.000	0.000	0.000	0.000
348	A	348	SER	0	-0.019	-0.031	26.392	0.002	0.002	0.000	0.000	0.000	0.000
349	A	349	TYR	0	0.047	0.033	28.914	-0.014	-0.014	0.000	0.000	0.000	0.000
350	A	350	LEU	0	-0.010	0.000	28.359	-0.008	-0.008	0.000	0.000	0.000	0.000
351	A	351	GLY	0	0.040	0.034	28.840	-0.007	-0.007	0.000	0.000	0.000	0.000
352	A	352	THR	0	-0.050	-0.033	29.654	-0.014	-0.014	0.000	0.000	0.000	0.000
353	A	353	MET	0	-0.053	-0.016	32.960	-0.009	-0.009	0.000	0.000	0.000	0.000
354	A	354	ALA	0	0.022	0.019	30.901	-0.006	-0.006	0.000	0.000	0.000	0.000
355	A	355	TYR	0	0.024	0.013	28.621	-0.006	-0.006	0.000	0.000	0.000	0.000
356	A	356	GLY	0	0.039	0.021	33.868	-0.006	-0.006	0.000	0.000	0.000	0.000
357	A	357	ALA	0	0.025	0.011	35.987	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	358	ALA	0	0.021	0.032	34.497	-0.004	-0.004	0.000	0.000	0.000	0.000
359	A	359	THR	0	-0.080	-0.048	36.622	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	360	THR	0	-0.075	-0.060	39.425	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	361	GLY	0	-0.003	0.003	40.346	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	362	VAL	0	-0.087	-0.028	39.460	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	363	GLU	-1	-0.892	-0.956	40.132	0.013	0.013	0.000	0.000	0.000	0.000
364	A	364	GLY	0	0.047	0.023	39.303	0.005	0.005	0.000	0.000	0.000	0.000
365	A	365	LEU	0	-0.073	-0.028	33.969	0.006	0.006	0.000	0.000	0.000	0.000
366	A	366	GLU	-1	-0.881	-0.944	33.347	0.009	0.009	0.000	0.000	0.000	0.000
367	A	367	LEU	0	-0.055	-0.027	27.398	-0.009	-0.009	0.000	0.000	0.000	0.000
368	A	368	ILE	0	-0.034	-0.014	29.738	0.013	0.013	0.000	0.000	0.000	0.000
369	A	369	LEU	0	-0.006	-0.004	22.255	-0.014	-0.014	0.000	0.000	0.000	0.000
370	A	370	ALA	0	0.004	0.010	26.247	0.020	0.020	0.000	0.000	0.000	0.000
371	A	371	GLU	-1	-0.823	-0.911	21.327	0.162	0.162	0.000	0.000	0.000	0.000
372	A	372	ALA	0	-0.008	-0.001	24.339	0.013	0.013	0.000	0.000	0.000	0.000
373	A	373	GLY	0	0.010	0.008	26.001	0.010	0.010	0.000	0.000	0.000	0.000
374	A	374	ILE	0	-0.004	-0.012	29.512	-0.011	-0.011	0.000	0.000	0.000	0.000
375	A	375	SER	0	-0.028	-0.036	32.863	0.001	0.001	0.000	0.000	0.000	0.000
376	A	376	SER	0	-0.002	-0.012	34.841	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	TRP	0	0.039	0.002	36.264	0.001	0.001	0.000	0.000	0.000	0.000
378	A	378	TYR	0	-0.015	-0.002	38.567	0.001	0.001	0.000	0.000	0.000	0.000
379	A	379	ASN	0	0.010	-0.004	35.670	0.001	0.001	0.000	0.000	0.000	0.000
380	A	380	TYR	0	-0.076	-0.026	31.675	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	381	TYR	0	-0.013	-0.013	35.748	0.003	0.003	0.000	0.000	0.000	0.000
382	A	382	ARG	1	0.757	0.881	38.607	-0.033	-0.033	0.000	0.000	0.000	0.000
383	A	383	GLU	-1	-0.788	-0.903	35.475	0.000	0.000	0.000	0.000	0.000	0.000
384	A	384	ASN	0	-0.046	-0.034	38.793	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	385	GLY	0	0.057	0.031	42.028	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	386	LEU	0	-0.015	0.011	40.952	0.001	0.001	0.000	0.000	0.000	0.000
387	A	387	VAL	0	0.000	-0.004	41.789	0.001	0.001	0.000	0.000	0.000	0.000
388	A	388	ARG	1	0.781	0.874	34.841	-0.024	-0.024	0.000	0.000	0.000	0.000
389	A	389	SER	0	-0.019	-0.009	36.791	0.001	0.001	0.000	0.000	0.000	0.000
390	A	390	PRO	0	0.041	0.044	32.795	-0.005	-0.005	0.000	0.000	0.000	0.000
391	A	391	GLY	0	0.024	0.007	30.073	0.003	0.003	0.000	0.000	0.000	0.000
392	A	392	GLY	0	-0.077	-0.044	29.986	0.011	0.011	0.000	0.000	0.000	0.000
393	A	393	PHE	0	-0.049	-0.021	29.383	0.013	0.013	0.000	0.000	0.000	0.000
394	A	394	PRO	0	0.006	-0.002	34.067	-0.008	-0.008	0.000	0.000	0.000	0.000
395	A	395	GLY	0	0.048	0.010	37.317	0.004	0.004	0.000	0.000	0.000	0.000
396	A	396	GLU	-1	-0.877	-0.928	35.300	0.092	0.092	0.000	0.000	0.000	0.000
397	A	397	ASP	-1	-0.789	-0.894	39.091	0.038	0.038	0.000	0.000	0.000	0.000
398	A	398	LEU	0	0.014	-0.002	40.300	0.005	0.005	0.000	0.000	0.000	0.000
399	A	399	ASP	-1	-0.738	-0.851	41.622	0.060	0.060	0.000	0.000	0.000	0.000
400	A	400	VAL	0	-0.023	0.003	39.552	0.002	0.002	0.000	0.000	0.000	0.000
401	A	401	LEU	0	0.037	0.031	36.054	0.007	0.007	0.000	0.000	0.000	0.000
402	A	402	ALA	0	-0.004	0.002	39.427	0.005	0.005	0.000	0.000	0.000	0.000
403	A	403	ALA	0	-0.002	-0.009	42.472	0.002	0.002	0.000	0.000	0.000	0.000
404	A	404	LEU	0	-0.045	-0.002	35.167	0.004	0.004	0.000	0.000	0.000	0.000
405	A	405	THR	0	-0.021	-0.043	37.107	0.005	0.005	0.000	0.000	0.000	0.000
406	A	406	TYR	0	0.029	0.035	39.830	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	407	SER	0	0.037	0.012	40.532	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	408	ARG	1	0.767	0.882	42.647	-0.065	-0.065	0.000	0.000	0.000	0.000
409	A	409	ASN	0	0.002	-0.018	46.095	-0.002	-0.002	0.000	0.000	0.000	0.000
410	A	410	LEU	0	-0.073	-0.015	40.286	0.001	0.001	0.000	0.000	0.000	0.000
411	A	411	ASP	-1	-0.887	-0.920	44.867	0.103	0.103	0.000	0.000	0.000	0.000
412	A	412	GLY	0	0.032	0.005	47.575	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	413	ALA	0	-0.023	-0.027	50.733	-0.004	-0.004	0.000	0.000	0.000	0.000
414	A	414	ASP	-1	-0.865	-0.923	49.354	0.070	0.070	0.000	0.000	0.000	0.000
415	A	415	PHE	0	0.053	0.023	49.856	-0.004	-0.004	0.000	0.000	0.000	0.000
416	A	416	LEU	0	-0.062	-0.041	51.699	-0.003	-0.003	0.000	0.000	0.000	0.000
417	A	417	LYS	1	0.905	0.973	53.246	-0.064	-0.064	0.000	0.000	0.000	0.000
418	A	418	GLY	0	-0.004	-0.008	53.175	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	419	ASN	0	0.047	0.035	51.496	0.002	0.002	0.000	0.000	0.000	0.000
420	A	420	ALA	0	-0.002	0.000	53.074	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	421	GLU	-1	-0.818	-0.895	54.199	0.043	0.043	0.000	0.000	0.000	0.000
422	A	422	TYR	0	0.020	0.010	46.542	0.000	0.000	0.000	0.000	0.000	0.000
423	A	423	GLU	-1	-0.913	-0.966	51.123	0.059	0.059	0.000	0.000	0.000	0.000
424	A	424	LYS	1	0.910	0.966	52.563	-0.040	-0.040	0.000	0.000	0.000	0.000
425	A	425	ARG	1	0.866	0.907	51.313	-0.046	-0.046	0.000	0.000	0.000	0.000
426	A	426	LEU	0	-0.015	0.011	46.081	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	427	ALA	0	-0.006	0.003	49.866	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	428	GLU	-1	-0.984	-0.992	52.483	0.034	0.034	0.000	0.000	0.000	0.000
429	A	429	MET	0	-0.030	-0.006	45.546	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	430	THR	0	-0.017	-0.044	47.922	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.058	-0.026	49.305	-0.002	-0.002	0.000	0.000	0.000	0.000
432	A	432	ALA	0	-0.019	-0.004	49.911	-0.003	-0.003	0.000	0.000	0.000	0.000
433	A	433	LEU	0	-0.064	-0.024	44.577	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	434	ASP	-1	-0.840	-0.884	47.562	0.019	0.019	0.000	0.000	0.000	0.000
435	A	435	ARG	1	0.869	0.902	42.188	-0.048	-0.048	0.000	0.000	0.000	0.000
436	A	436	LYS	1	0.925	0.968	47.809	-0.022	-0.022	0.000	0.000	0.000	0.000
437	A	437	SER	0	0.005	-0.011	50.117	-0.001	-0.001	0.000	0.000	0.000	0.000
438	A	438	GLY	0	0.012	0.007	46.033	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	439	ASP	-1	-0.784	-0.886	45.257	0.005	0.005	0.000	0.000	0.000	0.000
440	A	440	TYR	0	-0.028	-0.047	43.049	0.003	0.003	0.000	0.000	0.000	0.000
441	A	441	ASN	0	0.078	0.028	46.701	0.000	0.000	0.000	0.000	0.000	0.000
442	A	442	GLN	0	0.015	-0.024	48.163	-0.002	-0.002	0.000	0.000	0.000	0.000
443	A	443	PHE	0	0.025	0.019	45.371	0.001	0.001	0.000	0.000	0.000	0.000
444	A	444	TRP	0	0.019	-0.002	41.463	0.003	0.003	0.000	0.000	0.000	0.000
445	A	445	HIS	0	0.018	0.059	43.992	0.001	0.001	0.000	0.000	0.000	0.000
446	A	446	ASP	-1	-0.916	-0.948	45.391	0.020	0.020	0.000	0.000	0.000	0.000
447	A	447	ARG	1	0.748	0.865	41.456	-0.036	-0.036	0.000	0.000	0.000	0.000
448	A	448	ASN	0	0.063	0.024	40.424	0.002	0.002	0.000	0.000	0.000	0.000
449	A	449	TYR	0	-0.014	-0.035	36.387	0.000	0.000	0.000	0.000	0.000	0.000
450	A	450	LEU	0	0.026	0.017	35.615	-0.004	-0.004	0.000	0.000	0.000	0.000
451	A	451	ILE	0	-0.076	-0.029	39.212	-0.005	-0.005	0.000	0.000	0.000	0.000
452	A	452	ASN	0	-0.013	-0.009	41.358	-0.003	-0.003	0.000	0.000	0.000	0.000
453	A	453	THR	0	0.022	0.000	36.936	0.001	0.001	0.000	0.000	0.000	0.000
454	A	454	ASP	-1	-0.906	-0.942	39.239	-0.013	-0.013	0.000	0.000	0.000	0.000
455	A	455	LYS	1	0.895	0.940	41.747	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	456	VAL	0	-0.024	0.009	35.152	0.005	0.005	0.000	0.000	0.000	0.000
457	A	457	LYS	1	0.871	0.927	38.192	0.010	0.010	0.000	0.000	0.000	0.000
458	A	458	ALA	0	0.033	0.044	33.916	-0.003	-0.003	0.000	0.000	0.000	0.000
459	A	459	ASP	-1	-0.792	-0.871	29.724	-0.032	-0.032	0.000	0.000	0.000	0.000
460	A	460	VAL	0	-0.025	-0.028	29.080	0.012	0.012	0.000	0.000	0.000	0.000
461	A	461	LEU	0	-0.033	-0.004	23.613	-0.017	-0.017	0.000	0.000	0.000	0.000
462	A	462	ILE	0	-0.018	-0.016	25.060	0.017	0.017	0.000	0.000	0.000	0.000
463	A	463	VAL	0	0.026	0.025	19.797	-0.020	-0.020	0.000	0.000	0.000	0.000
464	A	464	HIS	0	-0.020	-0.045	21.438	0.014	0.014	0.000	0.000	0.000	0.000
465	A	465	GLY	0	0.004	0.032	19.963	-0.021	-0.021	0.000	0.000	0.000	0.000
466	A	466	LEU	0	-0.026	-0.044	19.476	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	467	GLN	0	-0.053	-0.022	17.739	-0.016	-0.016	0.000	0.000	0.000	0.000
468	A	468	ASP	-1	-0.782	-0.878	21.874	0.125	0.125	0.000	0.000	0.000	0.000
469	A	469	TRP	0	0.001	-0.020	24.218	-0.015	-0.015	0.000	0.000	0.000	0.000
470	A	470	ASN	0	-0.009	0.020	27.272	-0.013	-0.013	0.000	0.000	0.000	0.000
471	A	471	VAL	0	-0.026	-0.015	27.962	-0.007	-0.007	0.000	0.000	0.000	0.000
472	A	472	THR	0	-0.008	-0.005	27.695	0.000	0.000	0.000	0.000	0.000	0.000
473	A	473	PRO	0	0.073	0.028	25.832	0.001	0.001	0.000	0.000	0.000	0.000
474	A	474	GLU	-1	-0.831	-0.900	27.660	-0.008	-0.008	0.000	0.000	0.000	0.000
475	A	475	GLN	0	0.019	0.042	30.140	-0.006	-0.006	0.000	0.000	0.000	0.000
476	A	476	ALA	0	0.068	0.047	27.144	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	477	TYR	0	-0.032	-0.030	29.103	-0.006	-0.006	0.000	0.000	0.000	0.000
478	A	478	ASN	0	0.018	-0.012	30.194	-0.012	-0.012	0.000	0.000	0.000	0.000
479	A	479	PHE	0	0.025	0.000	31.662	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	480	TRP	0	-0.059	-0.041	26.730	0.003	0.003	0.000	0.000	0.000	0.000
481	A	481	LYS	1	0.926	0.952	31.410	0.056	0.056	0.000	0.000	0.000	0.000
482	A	482	ALA	0	-0.038	0.000	34.277	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	483	LEU	0	-0.045	-0.008	31.941	0.004	0.004	0.000	0.000	0.000	0.000
484	A	484	PRO	0	-0.017	-0.005	35.920	-0.006	-0.006	0.000	0.000	0.000	0.000
485	A	485	GLU	-1	-0.894	-0.963	35.966	-0.089	-0.089	0.000	0.000	0.000	0.000
486	A	486	GLY	0	-0.047	-0.022	35.121	0.004	0.004	0.000	0.000	0.000	0.000
487	A	487	HIS	0	-0.079	-0.025	33.069	-0.002	-0.002	0.000	0.000	0.000	0.000
488	A	488	ALA	0	-0.002	0.008	30.560	-0.009	-0.009	0.000	0.000	0.000	0.000
489	A	489	LYS	1	0.923	0.967	28.904	0.091	0.091	0.000	0.000	0.000	0.000
490	A	490	HIS	1	0.840	0.904	23.417	0.094	0.094	0.000	0.000	0.000	0.000
491	A	491	ALA	0	-0.001	0.016	23.330	0.025	0.025	0.000	0.000	0.000	0.000
492	A	492	PHE	0	0.022	0.012	17.062	-0.029	-0.029	0.000	0.000	0.000	0.000
493	A	493	LEU	0	-0.021	-0.012	19.102	0.037	0.037	0.000	0.000	0.000	0.000
494	A	494	HIS	0	0.079	0.038	15.572	-0.050	-0.050	0.000	0.000	0.000	0.000
495	A	495	ARG	1	0.804	0.875	14.695	0.214	0.214	0.000	0.000	0.000	0.000
496	A	496	GLY	0	0.052	0.041	16.659	0.028	0.028	0.000	0.000	0.000	0.000
497	A	497	ALA	0	0.045	0.011	17.673	-0.035	-0.035	0.000	0.000	0.000	0.000
498	A	498	HIS	0	-0.049	-0.018	21.167	0.009	0.009	0.000	0.000	0.000	0.000
499	A	499	ILE	0	-0.091	-0.056	16.456	0.027	0.027	0.000	0.000	0.000	0.000
500	A	500	TYR	0	0.049	0.019	19.045	-0.042	-0.042	0.000	0.000	0.000	0.000
501	A	501	MET	0	0.014	0.002	14.437	0.014	0.014	0.000	0.000	0.000	0.000
502	A	502	ASN	0	-0.019	-0.019	14.528	0.007	0.007	0.000	0.000	0.000	0.000
503	A	503	SER	0	0.006	0.005	13.788	-0.020	-0.020	0.000	0.000	0.000	0.000
504	A	504	TRP	0	0.000	0.006	9.957	0.165	0.165	0.000	0.000	0.000	0.000
505	A	505	GLN	0	0.067	0.028	2.850	-4.721	-3.430	1.591	-0.977	-1.906	0.000
506	A	506	SER	0	-0.085	-0.038	5.925	-0.208	-0.208	0.000	0.000	0.000	0.000
507	A	507	ILE	0	0.017	0.008	6.846	-0.342	-0.342	0.000	0.000	0.000	0.000
508	A	508	ASP	-1	-0.695	-0.817	10.310	0.051	0.051	0.000	0.000	0.000	0.000
509	A	509	PHE	0	0.021	0.006	12.625	-0.033	-0.033	0.000	0.000	0.000	0.000
510	A	510	SER	0	0.039	0.005	15.415	-0.048	-0.048	0.000	0.000	0.000	0.000
511	A	511	GLU	-1	-0.736	-0.859	14.208	0.371	0.371	0.000	0.000	0.000	0.000
512	A	512	THR	0	0.019	-0.010	16.092	-0.058	-0.058	0.000	0.000	0.000	0.000
513	A	513	ILE	0	-0.054	-0.024	18.646	-0.019	-0.019	0.000	0.000	0.000	0.000
514	A	514	ASN	0	-0.067	-0.029	20.468	-0.036	-0.036	0.000	0.000	0.000	0.000
515	A	515	ALA	0	0.059	0.026	21.528	-0.009	-0.009	0.000	0.000	0.000	0.000
516	A	516	TYR	0	-0.053	-0.056	23.131	-0.013	-0.013	0.000	0.000	0.000	0.000
517	A	517	PHE	0	-0.003	-0.022	24.893	-0.003	-0.003	0.000	0.000	0.000	0.000
518	A	518	VAL	0	-0.003	-0.001	25.476	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	519	ALA	0	-0.017	0.015	27.882	-0.002	-0.002	0.000	0.000	0.000	0.000
520	A	520	LYS	1	0.939	0.979	29.466	0.014	0.014	0.000	0.000	0.000	0.000
521	A	521	LEU	0	-0.061	-0.036	29.412	0.002	0.002	0.000	0.000	0.000	0.000
522	A	522	LEU	0	-0.050	-0.041	30.221	0.005	0.005	0.000	0.000	0.000	0.000
523	A	523	ASP	-1	-0.953	-0.962	33.480	0.006	0.006	0.000	0.000	0.000	0.000
524	A	524	ARG	1	0.916	0.969	28.934	-0.016	-0.016	0.000	0.000	0.000	0.000
525	A	525	ASP	-1	-0.883	-0.938	31.920	-0.038	-0.038	0.000	0.000	0.000	0.000
526	A	526	LEU	0	-0.068	-0.034	25.928	0.005	0.005	0.000	0.000	0.000	0.000
527	A	527	ASN	0	-0.037	-0.032	26.596	-0.016	-0.016	0.000	0.000	0.000	0.000
528	A	528	LEU	0	-0.029	-0.002	20.196	-0.018	-0.018	0.000	0.000	0.000	0.000
529	A	529	ASN	0	-0.029	-0.015	23.338	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	530	LEU	0	0.022	0.011	19.762	-0.027	-0.027	0.000	0.000	0.000	0.000
531	A	531	PRO	0	0.031	0.015	19.965	0.015	0.015	0.000	0.000	0.000	0.000
532	A	532	PRO	0	0.005	0.014	23.148	0.020	0.020	0.000	0.000	0.000	0.000
533	A	533	VAL	0	0.016	0.005	21.125	0.026	0.026	0.000	0.000	0.000	0.000
534	A	534	ILE	0	-0.008	0.023	16.073	-0.048	-0.048	0.000	0.000	0.000	0.000
535	A	535	LEU	0	0.008	-0.007	17.039	0.053	0.053	0.000	0.000	0.000	0.000
536	A	536	GLN	0	0.090	0.067	10.525	-0.020	-0.020	0.000	0.000	0.000	0.000
537	A	537	GLU	-1	-0.880	-0.947	12.794	-0.678	-0.678	0.000	0.000	0.000	0.000
538	A	538	ASN	0	0.012	0.014	12.986	-0.011	-0.011	0.000	0.000	0.000	0.000
539	A	539	SER	0	-0.042	-0.041	13.975	-0.060	-0.060	0.000	0.000	0.000	0.000
540	A	540	LYS	1	0.905	0.955	10.219	0.813	0.813	0.000	0.000	0.000	0.000
541	A	541	ASP	-1	-0.914	-0.959	4.626	-0.580	-0.417	-0.001	-0.006	-0.156	0.000
542	A	542	GLN	0	-0.026	-0.016	2.784	-5.092	-2.794	0.613	-1.299	-1.613	-0.012
543	A	543	VAL	0	-0.017	0.004	6.602	-0.441	-0.441	0.000	0.000	0.000	0.000
544	A	544	TRP	0	-0.026	-0.024	9.257	0.325	0.325	0.000	0.000	0.000	0.000
545	A	545	THR	0	-0.006	0.004	12.349	-0.098	-0.098	0.000	0.000	0.000	0.000
546	A	546	MET	0	0.002	-0.005	15.581	0.062	0.062	0.000	0.000	0.000	0.000
547	A	547	MET	0	-0.033	-0.015	19.186	-0.004	-0.004	0.000	0.000	0.000	0.000
548	A	548	ASN	0	-0.005	-0.025	22.428	0.007	0.007	0.000	0.000	0.000	0.000
549	A	549	ASP	-1	-0.779	-0.891	25.931	-0.104	-0.104	0.000	0.000	0.000	0.000
550	A	550	PHE	0	-0.055	-0.014	25.950	-0.016	-0.016	0.000	0.000	0.000	0.000
551	A	551	GLY	0	0.003	-0.023	27.180	0.017	0.017	0.000	0.000	0.000	0.000
552	A	552	ALA	0	-0.053	-0.009	28.821	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	553	ASN	0	0.042	0.006	30.654	0.014	0.014	0.000	0.000	0.000	0.000
554	A	554	THR	0	-0.079	-0.033	32.063	0.004	0.004	0.000	0.000	0.000	0.000
555	A	555	GLN	0	0.033	0.016	32.720	0.003	0.003	0.000	0.000	0.000	0.000
556	A	556	ILE	0	-0.027	0.009	31.250	0.003	0.003	0.000	0.000	0.000	0.000
557	A	557	LYS	1	0.955	0.962	34.831	0.087	0.087	0.000	0.000	0.000	0.000
558	A	558	LEU	0	-0.005	0.003	32.072	-0.003	-0.003	0.000	0.000	0.000	0.000
559	A	559	PRO	0	-0.053	-0.017	36.575	0.006	0.006	0.000	0.000	0.000	0.000
560	A	560	LEU	0	0.073	0.032	36.875	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	561	GLY	0	-0.010	0.012	39.482	0.003	0.003	0.000	0.000	0.000	0.000
562	A	562	LYS	1	0.949	0.967	35.866	0.074	0.074	0.000	0.000	0.000	0.000
563	A	563	THR	0	-0.041	-0.025	42.127	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	564	ALA	0	0.009	-0.004	45.881	0.000	0.000	0.000	0.000	0.000	0.000
565	A	565	VAL	0	-0.021	-0.004	48.858	0.002	0.002	0.000	0.000	0.000	0.000
566	A	566	SER	0	-0.020	-0.004	44.720	0.000	0.000	0.000	0.000	0.000	0.000
567	A	567	PHE	0	0.004	0.008	46.977	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	568	ALA	0	-0.011	-0.004	43.738	0.000	0.000	0.000	0.000	0.000	0.000
569	A	569	GLN	0	0.026	0.007	45.779	0.002	0.002	0.000	0.000	0.000	0.000
570	A	570	PHE	0	-0.037	0.001	43.016	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	571	ASP	-1	-0.853	-0.916	45.875	0.002	0.002	0.000	0.000	0.000	0.000
572	A	572	ASN	0	-0.019	0.009	45.563	0.000	0.000	0.000	0.000	0.000	0.000
573	A	573	ASN	0	-0.014	-0.016	46.330	0.001	0.001	0.000	0.000	0.000	0.000
574	A	574	TYR	0	0.040	0.013	41.322	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	575	ASP	-1	-0.832	-0.893	46.792	0.031	0.031	0.000	0.000	0.000	0.000
576	A	576	ASP	-1	-0.891	-0.978	47.791	0.033	0.033	0.000	0.000	0.000	0.000
577	A	577	GLU	-1	-0.984	-0.979	46.127	0.051	0.051	0.000	0.000	0.000	0.000
578	A	578	THR	0	-0.057	-0.067	42.452	0.006	0.006	0.000	0.000	0.000	0.000
579	A	579	PHE	0	-0.005	-0.001	43.181	0.004	0.004	0.000	0.000	0.000	0.000
580	A	580	LYS	1	0.963	0.976	44.064	-0.039	-0.039	0.000	0.000	0.000	0.000
581	A	581	LYS	1	0.930	0.963	39.692	-0.046	-0.046	0.000	0.000	0.000	0.000
582	A	582	TYR	0	-0.061	-0.054	38.617	0.005	0.005	0.000	0.000	0.000	0.000
583	A	583	SER	0	-0.012	-0.013	39.053	0.002	0.002	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.862	0.966	38.405	-0.078	-0.078	0.000	0.000	0.000	0.000
585	A	585	ASP	-1	-0.885	-0.958	34.203	0.109	0.109	0.000	0.000	0.000	0.000
586	A	586	PHE	0	0.089	0.053	31.004	-0.004	-0.004	0.000	0.000	0.000	0.000
587	A	587	ASN	0	-0.019	-0.015	29.813	-0.007	-0.007	0.000	0.000	0.000	0.000
588	A	588	VAL	0	-0.067	-0.024	32.193	-0.004	-0.004	0.000	0.000	0.000	0.000
589	A	589	PHE	0	0.032	0.019	34.584	-0.005	-0.005	0.000	0.000	0.000	0.000
590	A	590	LYS	1	0.853	0.929	28.561	-0.075	-0.075	0.000	0.000	0.000	0.000
591	A	591	LYS	1	0.842	0.915	28.860	-0.068	-0.068	0.000	0.000	0.000	0.000
592	A	592	ASP	-1	-0.823	-0.907	31.809	0.036	0.036	0.000	0.000	0.000	0.000
593	A	593	LEU	0	-0.051	-0.009	33.429	-0.006	-0.006	0.000	0.000	0.000	0.000
594	A	594	PHE	0	0.006	-0.001	27.738	-0.007	-0.007	0.000	0.000	0.000	0.000
595	A	595	GLU	-1	-0.913	-0.950	30.029	0.028	0.028	0.000	0.000	0.000	0.000
596	A	596	ASN	0	-0.051	-0.009	32.924	-0.002	-0.002	0.000	0.000	0.000	0.000
597	A	597	LYS	1	0.862	0.941	36.238	-0.034	-0.034	0.000	0.000	0.000	0.000
598	A	598	ALA	0	-0.017	-0.002	38.398	0.005	0.005	0.000	0.000	0.000	0.000
599	A	599	ASN	0	-0.027	-0.016	40.025	-0.004	-0.004	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.833	-0.939	36.133	0.001	0.001	0.000	0.000	0.000	0.000
601	A	601	ALA	0	-0.008	0.003	39.833	-0.002	-0.002	0.000	0.000	0.000	0.000
602	A	602	VAL	0	0.004	0.007	34.701	-0.002	-0.002	0.000	0.000	0.000	0.000
603	A	603	ILE	0	-0.055	-0.031	35.820	-0.003	-0.003	0.000	0.000	0.000	0.000
604	A	604	ASP	-1	-0.828	-0.915	32.662	-0.058	-0.058	0.000	0.000	0.000	0.000
605	A	605	LEU	0	-0.079	-0.051	32.072	-0.003	-0.003	0.000	0.000	0.000	0.000
606	A	606	GLU	-1	-0.917	-0.969	30.719	-0.106	-0.106	0.000	0.000	0.000	0.000
607	A	607	LEU	0	-0.015	-0.004	25.999	0.004	0.004	0.000	0.000	0.000	0.000
608	A	608	PRO	0	-0.019	0.002	29.861	-0.007	-0.007	0.000	0.000	0.000	0.000
609	A	609	SER	0	0.014	-0.002	28.498	-0.004	-0.004	0.000	0.000	0.000	0.000
610	A	610	MET	0	-0.056	-0.022	21.154	0.003	0.003	0.000	0.000	0.000	0.000
611	A	611	LEU	0	-0.029	-0.015	24.322	0.009	0.009	0.000	0.000	0.000	0.000
612	A	612	THR	0	0.053	0.021	21.865	-0.020	-0.020	0.000	0.000	0.000	0.000
613	A	613	ILE	0	0.012	0.022	23.950	0.010	0.010	0.000	0.000	0.000	0.000
614	A	614	ASN	0	-0.006	-0.016	24.490	0.003	0.003	0.000	0.000	0.000	0.000
615	A	615	GLY	0	0.076	0.037	26.534	0.005	0.005	0.000	0.000	0.000	0.000
616	A	616	PRO	0	0.002	0.007	28.939	-0.004	-0.004	0.000	0.000	0.000	0.000
617	A	617	VAL	0	-0.023	-0.005	29.797	-0.006	-0.006	0.000	0.000	0.000	0.000
618	A	618	GLU	-1	-0.871	-0.941	32.475	-0.055	-0.055	0.000	0.000	0.000	0.000
619	A	619	LEU	0	-0.032	-0.030	34.674	-0.006	-0.006	0.000	0.000	0.000	0.000
620	A	620	GLU	-1	-0.960	-0.965	38.267	-0.051	-0.051	0.000	0.000	0.000	0.000
621	A	621	LEU	0	0.000	-0.016	40.131	-0.002	-0.002	0.000	0.000	0.000	0.000
622	A	622	ARG	1	0.948	0.991	43.619	0.034	0.034	0.000	0.000	0.000	0.000
623	A	623	LEU	0	-0.009	-0.017	45.226	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	624	LYS	1	0.933	0.989	48.258	0.014	0.014	0.000	0.000	0.000	0.000
625	A	625	LEU	0	0.042	0.013	49.274	0.000	0.000	0.000	0.000	0.000	0.000
626	A	626	ASN	0	0.032	0.033	51.895	0.000	0.000	0.000	0.000	0.000	0.000
627	A	627	ASP	-1	-0.785	-0.900	52.964	0.008	0.008	0.000	0.000	0.000	0.000
628	A	628	THR	0	-0.080	-0.078	54.593	-0.002	-0.002	0.000	0.000	0.000	0.000
629	A	629	LYS	1	0.963	0.995	51.925	-0.012	-0.012	0.000	0.000	0.000	0.000
630	A	630	GLY	0	-0.005	-0.019	48.488	0.001	0.001	0.000	0.000	0.000	0.000
631	A	631	PHE	0	-0.025	0.000	41.589	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	632	LEU	0	-0.015	0.003	40.614	0.000	0.000	0.000	0.000	0.000	0.000
633	A	633	SER	0	-0.025	-0.041	37.361	0.001	0.001	0.000	0.000	0.000	0.000
634	A	634	ALA	0	0.002	-0.006	35.541	-0.003	-0.003	0.000	0.000	0.000	0.000
635	A	635	GLN	0	-0.008	-0.023	30.506	0.002	0.002	0.000	0.000	0.000	0.000
636	A	636	ILE	0	0.016	0.016	28.198	-0.005	-0.005	0.000	0.000	0.000	0.000
637	A	637	LEU	0	0.050	0.014	26.146	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	638	ASP	-1	-0.785	-0.872	20.988	-0.179	-0.179	0.000	0.000	0.000	0.000
639	A	639	PHE	0	0.011	-0.002	23.703	0.012	0.012	0.000	0.000	0.000	0.000
640	A	640	GLY	0	0.030	0.015	24.671	-0.018	-0.018	0.000	0.000	0.000	0.000
641	A	641	GLN	0	-0.022	-0.014	21.379	0.006	0.006	0.000	0.000	0.000	0.000
642	A	642	LYS	1	0.857	0.937	17.102	0.206	0.206	0.000	0.000	0.000	0.000
643	A	643	LYS	1	0.938	0.980	11.915	0.224	0.224	0.000	0.000	0.000	0.000
644	A	644	ARG	1	0.764	0.861	14.773	0.015	0.015	0.000	0.000	0.000	0.000
645	A	645	LEU	0	0.006	0.015	9.932	0.060	0.060	0.000	0.000	0.000	0.000
646	A	646	GLU	-1	-0.880	-0.946	13.730	0.325	0.325	0.000	0.000	0.000	0.000
647	A	647	ASP	-1	-0.869	-0.934	15.476	0.181	0.181	0.000	0.000	0.000	0.000
648	A	648	LYS	1	0.822	0.900	16.683	-0.272	-0.272	0.000	0.000	0.000	0.000
649	A	649	VAL	0	0.011	0.026	11.932	0.013	0.013	0.000	0.000	0.000	0.000
650	A	650	ARG	1	0.959	0.972	10.042	-0.972	-0.972	0.000	0.000	0.000	0.000
651	A	651	VAL	0	0.000	-0.009	10.602	0.117	0.117	0.000	0.000	0.000	0.000
652	A	652	LYS	1	0.845	0.939	2.765	-5.910	-5.266	0.089	-0.188	-0.544	0.001
653	A	653	ASP	-1	-0.851	-0.931	7.680	3.295	3.295	0.000	0.000	0.000	0.000
654	A	654	PHE	0	-0.076	-0.046	10.364	-0.222	-0.222	0.000	0.000	0.000	0.000
655	A	655	LYS	1	0.897	0.923	14.097	-0.690	-0.690	0.000	0.000	0.000	0.000
656	A	656	VAL	0	0.045	0.040	10.319	-0.070	-0.070	0.000	0.000	0.000	0.000
657	A	657	LEU	0	-0.052	-0.002	12.027	-0.052	-0.052	0.000	0.000	0.000	0.000
658	A	658	ASP	-1	-0.671	-0.827	15.106	0.388	0.388	0.000	0.000	0.000	0.000
659	A	659	ARG	1	0.791	0.890	16.867	-0.592	-0.592	0.000	0.000	0.000	0.000
660	A	660	GLY	0	-0.031	-0.036	20.956	-0.059	-0.059	0.000	0.000	0.000	0.000
661	A	661	ARG	1	0.872	0.943	22.025	-0.224	-0.224	0.000	0.000	0.000	0.000
662	A	662	ASN	0	-0.064	-0.038	22.194	0.007	0.007	0.000	0.000	0.000	0.000
663	A	663	PHE	0	-0.087	-0.045	22.653	-0.036	-0.036	0.000	0.000	0.000	0.000
664	A	664	MET	0	-0.039	-0.026	22.168	0.025	0.025	0.000	0.000	0.000	0.000
665	A	665	LEU	0	0.010	0.010	18.589	0.017	0.017	0.000	0.000	0.000	0.000
666	A	666	ASP	-1	-0.832	-0.920	16.574	0.590	0.590	0.000	0.000	0.000	0.000
667	A	667	ASP	-1	-0.876	-0.922	14.001	0.998	0.998	0.000	0.000	0.000	0.000
668	A	668	LEU	0	-0.012	0.024	6.957	-0.087	-0.087	0.000	0.000	0.000	0.000
669	A	669	VAL	0	-0.025	-0.028	10.307	0.170	0.170	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.747	-0.905	6.529	0.594	0.594	0.000	0.000	0.000	0.000
671	A	671	LEU	0	-0.016	0.003	9.368	0.048	0.048	0.000	0.000	0.000	0.000
672	A	672	PRO	0	-0.016	0.011	9.381	-0.017	-0.017	0.000	0.000	0.000	0.000
673	A	673	LEU	0	0.026	0.018	9.025	-0.143	-0.143	0.000	0.000	0.000	0.000
674	A	674	VAL	0	-0.016	-0.014	10.932	0.069	0.069	0.000	0.000	0.000	0.000
675	A	675	GLU	-1	-0.975	-0.989	14.069	-0.104	-0.104	0.000	0.000	0.000	0.000
676	A	676	SER	0	0.019	0.020	17.012	0.032	0.032	0.000	0.000	0.000	0.000
677	A	677	PRO	0	0.038	0.015	20.017	-0.031	-0.031	0.000	0.000	0.000	0.000
678	A	678	TYR	0	-0.029	-0.029	22.673	-0.013	-0.013	0.000	0.000	0.000	0.000
679	A	679	GLN	0	-0.024	-0.011	17.748	-0.015	-0.015	0.000	0.000	0.000	0.000
680	A	680	LEU	0	-0.026	0.007	22.706	-0.019	-0.019	0.000	0.000	0.000	0.000
681	A	681	VAL	0	-0.035	-0.012	23.294	-0.004	-0.004	0.000	0.000	0.000	0.000
682	A	682	THR	0	-0.019	-0.053	24.841	0.005	0.005	0.000	0.000	0.000	0.000
683	A	683	LYS	1	0.871	0.947	27.952	-0.032	-0.032	0.000	0.000	0.000	0.000
684	A	684	GLY	0	0.043	0.013	31.377	-0.003	-0.003	0.000	0.000	0.000	0.000
685	A	685	PHE	0	-0.043	-0.019	34.074	0.002	0.002	0.000	0.000	0.000	0.000
686	A	686	THR	0	0.038	0.019	38.256	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	687	ASN	0	0.054	0.044	41.707	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	688	LEU	0	-0.004	-0.004	45.294	-0.003	-0.003	0.000	0.000	0.000	0.000
689	A	689	GLN	0	-0.026	-0.021	47.368	0.000	0.000	0.000	0.000	0.000	0.000
690	A	690	ASN	0	-0.020	-0.008	46.050	0.002	0.002	0.000	0.000	0.000	0.000
691	A	691	GLN	0	0.000	0.014	46.110	-0.004	-0.004	0.000	0.000	0.000	0.000
692	A	692	SER	0	-0.004	-0.004	45.366	-0.003	-0.003	0.000	0.000	0.000	0.000
693	A	693	LEU	0	-0.007	-0.013	41.700	0.003	0.003	0.000	0.000	0.000	0.000
694	A	694	LEU	0	0.004	0.003	45.975	0.003	0.003	0.000	0.000	0.000	0.000
695	A	695	THR	0	0.006	0.021	49.383	0.000	0.000	0.000	0.000	0.000	0.000
696	A	696	VAL	0	0.015	0.032	50.433	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	697	SER	0	-0.001	-0.009	52.257	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	698	ASP	-1	-0.913	-0.966	53.774	-0.002	-0.002	0.000	0.000	0.000	0.000
699	A	699	LEU	0	-0.018	-0.002	50.950	-0.002	-0.002	0.000	0.000	0.000	0.000
700	A	700	LYS	1	0.912	0.955	54.784	0.009	0.009	0.000	0.000	0.000	0.000
701	A	701	ALA	0	0.060	0.041	55.487	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	702	ASP	-1	-1.015	-1.025	55.747	-0.008	-0.008	0.000	0.000	0.000	0.000
703	A	703	GLU	-1	-0.944	-0.977	55.907	-0.017	-0.017	0.000	0.000	0.000	0.000
704	A	704	TRP	0	-0.077	-0.037	49.093	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	705	PHE	0	0.016	0.013	48.265	0.000	0.000	0.000	0.000	0.000	0.000
706	A	706	THR	0	-0.007	-0.025	47.197	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	707	ILE	0	-0.012	0.007	43.593	0.001	0.001	0.000	0.000	0.000	0.000
708	A	708	LYS	1	0.949	0.958	41.218	0.050	0.050	0.000	0.000	0.000	0.000
709	A	709	PHE	0	-0.004	0.015	37.375	0.002	0.002	0.000	0.000	0.000	0.000
710	A	710	GLU	-1	-0.907	-0.961	35.114	-0.057	-0.057	0.000	0.000	0.000	0.000
711	A	711	LEU	0	-0.066	-0.011	32.004	0.007	0.007	0.000	0.000	0.000	0.000
712	A	712	GLN	0	0.023	-0.009	29.109	-0.005	-0.005	0.000	0.000	0.000	0.000
713	A	713	PRO	0	-0.022	0.021	28.773	-0.011	-0.011	0.000	0.000	0.000	0.000
714	A	714	THR	0	0.022	-0.003	23.436	0.000	0.000	0.000	0.000	0.000	0.000
715	A	715	ILE	0	0.047	0.024	21.160	-0.012	-0.012	0.000	0.000	0.000	0.000
716	A	716	TYR	0	-0.067	-0.038	19.814	-0.009	-0.009	0.000	0.000	0.000	0.000
717	A	717	HIS	1	0.833	0.914	18.625	0.392	0.392	0.000	0.000	0.000	0.000
718	A	718	LEU	0	0.011	0.008	20.084	-0.003	-0.003	0.000	0.000	0.000	0.000
719	A	719	GLU	-1	-0.857	-0.947	19.042	-0.459	-0.459	0.000	0.000	0.000	0.000
720	A	720	LYS	1	0.932	0.956	22.533	0.318	0.318	0.000	0.000	0.000	0.000
721	A	721	ALA	0	-0.040	-0.017	23.875	0.015	0.015	0.000	0.000	0.000	0.000
722	A	722	ASP	-1	-0.798	-0.885	21.725	-0.235	-0.235	0.000	0.000	0.000	0.000
723	A	723	LYS	1	0.905	0.947	24.866	0.142	0.142	0.000	0.000	0.000	0.000
724	A	724	LEU	0	-0.012	0.005	26.376	0.002	0.002	0.000	0.000	0.000	0.000
725	A	725	ARG	1	0.876	0.955	28.778	0.034	0.034	0.000	0.000	0.000	0.000
726	A	726	VAL	0	-0.011	-0.014	30.797	0.004	0.004	0.000	0.000	0.000	0.000
727	A	727	ILE	0	0.007	0.011	31.927	0.001	0.001	0.000	0.000	0.000	0.000
728	A	728	LEU	0	-0.015	-0.010	35.168	0.001	0.001	0.000	0.000	0.000	0.000
729	A	729	TYR	0	0.024	-0.025	35.296	0.000	0.000	0.000	0.000	0.000	0.000
730	A	730	SER	0	0.069	0.011	40.387	-0.002	-0.002	0.000	0.000	0.000	0.000
731	A	731	THR	0	-0.030	0.010	40.713	0.001	0.001	0.000	0.000	0.000	0.000
732	A	732	ASP	-1	-0.691	-0.823	35.223	0.034	0.034	0.000	0.000	0.000	0.000
733	A	733	PHE	0	-0.055	-0.037	37.908	0.003	0.003	0.000	0.000	0.000	0.000
734	A	734	GLU	-1	-0.811	-0.915	31.089	0.080	0.080	0.000	0.000	0.000	0.000
735	A	735	HIS	0	-0.025	0.011	31.818	0.003	0.003	0.000	0.000	0.000	0.000
736	A	736	THR	0	0.060	0.026	36.970	0.000	0.000	0.000	0.000	0.000	0.000
737	A	737	VAL	0	-0.041	-0.008	40.577	0.004	0.004	0.000	0.000	0.000	0.000
738	A	738	ARG	1	0.831	0.923	38.825	-0.060	-0.060	0.000	0.000	0.000	0.000
739	A	739	ASP	-1	-0.714	-0.855	44.939	0.020	0.020	0.000	0.000	0.000	0.000
740	A	740	ASN	0	-0.009	-0.007	47.528	-0.003	-0.003	0.000	0.000	0.000	0.000
741	A	741	ARG	1	0.836	0.931	48.600	-0.011	-0.011	0.000	0.000	0.000	0.000
742	A	742	LYS	1	0.908	0.938	50.861	-0.015	-0.015	0.000	0.000	0.000	0.000
743	A	743	VAL	0	-0.006	0.015	50.149	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	744	THR	0	-0.039	-0.024	49.778	0.001	0.001	0.000	0.000	0.000	0.000
745	A	745	TYR	0	-0.064	-0.039	45.811	0.000	0.000	0.000	0.000	0.000	0.000
746	A	746	GLU	-1	-0.913	-0.973	48.064	-0.020	-0.020	0.000	0.000	0.000	0.000
747	A	747	ILE	0	-0.005	-0.018	42.637	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	748	ASP	-1	-0.810	-0.920	46.435	-0.039	-0.039	0.000	0.000	0.000	0.000
749	A	749	LEU	0	0.021	0.004	41.311	-0.003	-0.003	0.000	0.000	0.000	0.000
750	A	750	SER	0	-0.062	-0.023	43.384	-0.005	-0.005	0.000	0.000	0.000	0.000
751	A	751	GLN	0	-0.082	-0.037	45.666	-0.001	-0.001	0.000	0.000	0.000	0.000
752	A	752	SER	0	-0.015	0.002	41.818	0.002	0.002	0.000	0.000	0.000	0.000
753	A	753	LYS	1	0.876	0.927	39.845	0.069	0.069	0.000	0.000	0.000	0.000
754	A	754	LEU	0	0.044	0.037	32.253	0.004	0.004	0.000	0.000	0.000	0.000
755	A	755	ILE	0	-0.046	-0.021	35.799	-0.010	-0.010	0.000	0.000	0.000	0.000
756	A	756	ILE	0	0.030	0.009	29.429	0.003	0.003	0.000	0.000	0.000	0.000
757	A	757	PRO	0	0.040	0.040	29.937	-0.009	-0.009	0.000	0.000	0.000	0.000
758	A	758	ILE	0	-0.026	-0.032	28.126	-0.008	-0.008	0.000	0.000	0.000	0.000
759	A	759	GLU	-1	-0.811	-0.905	24.089	-0.224	-0.224	0.000	0.000	0.000	0.000
760	A	760	SER	0	-0.043	-0.018	27.062	-0.010	-0.010	0.000	0.000	0.000	0.000
761	A	761	VAL	0	0.049	0.023	23.478	-0.007	-0.007	0.000	0.000	0.000	0.000
762	A	762	LYS	1	0.833	0.906	26.519	0.182	0.182	0.000	0.000	0.000	0.000
763	A	763	ASN	0	0.028	0.027	24.579	-0.037	-0.037	0.000	0.000	0.000	0.000

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