FMO DATABASE

FMODB ID: 9MMQ2

Calculation Name: 5BP1-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5BP1

Chain ID: A

ChEMBL ID:

UniProt ID: A0R1E8

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	OptAll
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	817
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-18606623.566457
FMO2-HF: Nuclear repulsion	18303701.672266
FMO2-HF: Total energy	-302921.894191
FMO2-MP2: Total energy	-303802.851779

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:4:ASN)

Summations of interaction energy for fragment #1(A:4:ASN)

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.
-26.108	-20.48	13.409	-7.74	-11.297	-0.048

Interaction energy analysis for fragmet #1(A:4:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.023 / q_NPA : -0.005

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	6	VAL	0	-0.014	-0.004	3.010	0.798	4.147	0.012	-1.681	-1.680	0.007
4	A	7	ALA	0	0.049	0.023	3.128	-4.942	-3.944	0.049	-0.545	-0.501	-0.005
5	A	8	PRO	0	-0.016	0.001	3.925	0.223	0.345	-0.001	-0.013	-0.108	0.000
6	A	9	VAL	0	0.015	0.003	6.046	0.718	0.718	0.000	0.000	0.000	0.000
7	A	10	ALA	0	-0.017	0.006	9.781	0.108	0.108	0.000	0.000	0.000	0.000
8	A	11	ILE	0	0.005	-0.009	12.680	0.049	0.049	0.000	0.000	0.000	0.000
9	A	12	ILE	0	0.037	0.011	15.616	0.078	0.078	0.000	0.000	0.000	0.000
10	A	13	GLY	0	0.061	0.029	18.308	0.095	0.095	0.000	0.000	0.000	0.000
11	A	14	MET	0	-0.090	-0.036	20.240	-0.089	-0.089	0.000	0.000	0.000	0.000
12	A	15	ALA	0	0.006	0.017	22.564	0.048	0.048	0.000	0.000	0.000	0.000
13	A	16	CYS	0	-0.043	-0.036	25.556	-0.030	-0.030	0.000	0.000	0.000	0.000
14	A	17	ARG	1	0.828	0.900	28.028	0.332	0.332	0.000	0.000	0.000	0.000
15	A	18	LEU	0	-0.007	-0.012	28.207	-0.011	-0.011	0.000	0.000	0.000	0.000
16	A	19	PRO	0	-0.005	-0.007	32.570	0.012	0.012	0.000	0.000	0.000	0.000
17	A	20	GLY	0	0.025	0.016	35.458	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	21	ALA	0	-0.027	-0.023	37.253	0.002	0.002	0.000	0.000	0.000	0.000
19	A	22	ILE	0	-0.041	0.002	31.250	-0.004	-0.004	0.000	0.000	0.000	0.000
20	A	23	ASN	0	0.028	0.002	32.241	-0.030	-0.030	0.000	0.000	0.000	0.000
21	A	24	SER	0	0.034	-0.004	29.528	-0.003	-0.003	0.000	0.000	0.000	0.000
22	A	25	PRO	0	0.063	0.020	24.970	0.017	0.017	0.000	0.000	0.000	0.000
23	A	26	GLN	0	-0.056	-0.032	27.108	-0.005	-0.005	0.000	0.000	0.000	0.000
24	A	27	GLN	0	0.038	0.031	29.500	0.014	0.014	0.000	0.000	0.000	0.000
25	A	28	LEU	0	0.056	0.031	26.163	0.015	0.015	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.008	-0.013	25.035	0.004	0.004	0.000	0.000	0.000	0.000
27	A	30	GLU	-1	-0.893	-0.945	28.675	-0.202	-0.202	0.000	0.000	0.000	0.000
28	A	31	ALA	0	0.012	0.005	31.967	0.015	0.015	0.000	0.000	0.000	0.000
29	A	32	LEU	0	-0.035	-0.016	26.334	0.010	0.010	0.000	0.000	0.000	0.000
30	A	33	LEU	0	-0.028	-0.015	29.038	0.016	0.016	0.000	0.000	0.000	0.000
31	A	34	ARG	1	0.768	0.878	31.944	0.217	0.217	0.000	0.000	0.000	0.000
32	A	35	GLY	0	-0.036	-0.003	33.518	0.013	0.013	0.000	0.000	0.000	0.000
33	A	36	ASP	-1	-0.797	-0.880	34.527	-0.187	-0.187	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.805	-0.898	34.376	-0.197	-0.197	0.000	0.000	0.000	0.000
35	A	38	PHE	0	-0.008	-0.010	33.589	0.007	0.007	0.000	0.000	0.000	0.000
36	A	39	VAL	0	-0.051	-0.015	35.152	-0.004	-0.004	0.000	0.000	0.000	0.000
37	A	40	THR	0	-0.017	-0.021	37.811	0.011	0.011	0.000	0.000	0.000	0.000
38	A	41	GLU	-1	-0.784	-0.880	41.405	-0.127	-0.127	0.000	0.000	0.000	0.000
39	A	42	ILE	0	0.002	0.001	42.976	-0.005	-0.005	0.000	0.000	0.000	0.000
40	A	43	PRO	0	0.015	0.026	42.657	0.009	0.009	0.000	0.000	0.000	0.000
41	A	44	THR	0	-0.013	-0.031	45.684	-0.003	-0.003	0.000	0.000	0.000	0.000
42	A	45	GLY	0	0.010	0.027	47.705	0.004	0.004	0.000	0.000	0.000	0.000
43	A	46	ARG	1	0.777	0.861	39.396	0.211	0.211	0.000	0.000	0.000	0.000
44	A	66	LYS	1	0.792	0.846	43.171	0.122	0.122	0.000	0.000	0.000	0.000
45	A	67	TRP	0	-0.011	0.014	40.167	0.002	0.002	0.000	0.000	0.000	0.000
46	A	68	GLY	0	0.055	0.016	37.426	-0.004	-0.004	0.000	0.000	0.000	0.000
47	A	69	ALA	0	-0.001	0.029	34.506	0.008	0.008	0.000	0.000	0.000	0.000
48	A	70	PHE	0	-0.004	-0.021	35.931	-0.013	-0.013	0.000	0.000	0.000	0.000
49	A	71	LEU	0	-0.012	-0.011	34.027	0.001	0.001	0.000	0.000	0.000	0.000
50	A	72	ASP	-1	-0.857	-0.937	37.779	-0.206	-0.206	0.000	0.000	0.000	0.000
51	A	73	ASP	-1	-0.772	-0.886	39.779	-0.194	-0.194	0.000	0.000	0.000	0.000
52	A	74	PRO	0	-0.077	-0.027	37.495	-0.011	-0.011	0.000	0.000	0.000	0.000
53	A	75	ALA	0	-0.018	-0.023	38.075	-0.011	-0.011	0.000	0.000	0.000	0.000
54	A	76	ALA	0	-0.015	0.008	40.073	0.005	0.005	0.000	0.000	0.000	0.000
55	A	77	PHE	0	-0.037	-0.024	35.827	-0.015	-0.015	0.000	0.000	0.000	0.000
56	A	78	ASP	-1	-0.713	-0.816	38.638	-0.217	-0.217	0.000	0.000	0.000	0.000
57	A	79	PRO	0	-0.037	-0.021	39.412	-0.010	-0.010	0.000	0.000	0.000	0.000
58	A	80	GLU	-1	-0.912	-0.959	41.139	-0.186	-0.186	0.000	0.000	0.000	0.000
59	A	81	PHE	0	0.009	0.005	34.949	0.002	0.002	0.000	0.000	0.000	0.000
60	A	82	PHE	0	-0.024	-0.015	33.418	-0.013	-0.013	0.000	0.000	0.000	0.000
61	A	83	GLY	0	0.001	0.006	38.226	-0.005	-0.005	0.000	0.000	0.000	0.000
62	A	84	ILE	0	-0.066	-0.021	37.613	0.005	0.005	0.000	0.000	0.000	0.000
63	A	85	THR	0	0.031	0.007	42.201	0.010	0.010	0.000	0.000	0.000	0.000
64	A	86	GLU	-1	-0.795	-0.902	44.652	-0.178	-0.178	0.000	0.000	0.000	0.000
65	A	87	ARG	1	0.897	0.941	46.002	0.148	0.148	0.000	0.000	0.000	0.000
66	A	88	GLU	-1	-0.909	-0.953	41.497	-0.227	-0.227	0.000	0.000	0.000	0.000
67	A	89	ALA	0	0.026	0.002	41.427	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	90	ALA	0	-0.028	-0.008	41.813	-0.007	-0.007	0.000	0.000	0.000	0.000
69	A	91	ALA	0	-0.020	-0.017	43.699	-0.001	-0.001	0.000	0.000	0.000	0.000
70	A	92	ILE	0	-0.093	-0.031	37.394	-0.010	-0.010	0.000	0.000	0.000	0.000
71	A	93	ASP	-1	-0.775	-0.877	35.285	-0.297	-0.297	0.000	0.000	0.000	0.000
72	A	94	PRO	0	0.066	0.021	36.591	-0.014	-0.014	0.000	0.000	0.000	0.000
73	A	95	GLN	0	0.002	-0.010	32.165	-0.027	-0.027	0.000	0.000	0.000	0.000
74	A	96	HIS	0	-0.001	-0.009	32.203	-0.019	-0.019	0.000	0.000	0.000	0.000
75	A	97	ARG	1	0.806	0.924	32.905	0.225	0.225	0.000	0.000	0.000	0.000
76	A	98	LEU	0	0.072	0.036	32.361	-0.009	-0.009	0.000	0.000	0.000	0.000
77	A	99	LEU	0	-0.031	-0.008	26.964	-0.020	-0.020	0.000	0.000	0.000	0.000
78	A	100	LEU	0	-0.033	-0.012	29.058	-0.023	-0.023	0.000	0.000	0.000	0.000
79	A	101	GLU	-1	-0.734	-0.833	30.688	-0.294	-0.294	0.000	0.000	0.000	0.000
80	A	102	THR	0	-0.014	-0.020	27.052	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	103	ALA	0	-0.012	-0.012	25.917	-0.030	-0.030	0.000	0.000	0.000	0.000
82	A	104	TRP	0	0.016	-0.003	26.495	-0.026	-0.026	0.000	0.000	0.000	0.000
83	A	105	GLU	-1	-0.799	-0.884	28.693	-0.349	-0.349	0.000	0.000	0.000	0.000
84	A	106	ALA	0	-0.010	-0.005	23.204	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	107	VAL	0	0.015	0.033	23.975	-0.039	-0.039	0.000	0.000	0.000	0.000
86	A	108	GLU	-1	-0.738	-0.866	25.605	-0.320	-0.320	0.000	0.000	0.000	0.000
87	A	109	HIS	0	-0.022	-0.009	23.419	-0.021	-0.021	0.000	0.000	0.000	0.000
88	A	110	SER	0	-0.042	-0.029	22.013	-0.027	-0.027	0.000	0.000	0.000	0.000
89	A	111	GLY	0	-0.002	-0.007	23.503	-0.005	-0.005	0.000	0.000	0.000	0.000
90	A	112	LEU	0	-0.021	0.001	22.091	0.009	0.009	0.000	0.000	0.000	0.000
91	A	113	ASN	0	0.044	0.020	26.670	0.002	0.002	0.000	0.000	0.000	0.000
92	A	114	PRO	0	0.020	0.002	28.778	-0.011	-0.011	0.000	0.000	0.000	0.000
93	A	115	ALA	0	0.033	0.025	29.800	-0.013	-0.013	0.000	0.000	0.000	0.000
94	A	116	GLY	0	-0.013	-0.005	29.194	0.005	0.005	0.000	0.000	0.000	0.000
95	A	117	LEU	0	-0.023	-0.007	24.142	-0.025	-0.025	0.000	0.000	0.000	0.000
96	A	118	ALA	0	0.035	0.044	27.280	-0.022	-0.022	0.000	0.000	0.000	0.000
97	A	119	GLY	0	-0.016	-0.015	29.051	0.006	0.006	0.000	0.000	0.000	0.000
98	A	120	SER	0	-0.047	-0.031	23.690	-0.033	-0.033	0.000	0.000	0.000	0.000
99	A	121	ALA	0	0.041	0.022	21.113	0.015	0.015	0.000	0.000	0.000	0.000
100	A	122	THR	0	0.002	-0.013	20.517	-0.106	-0.106	0.000	0.000	0.000	0.000
101	A	123	GLY	0	0.036	0.030	20.084	0.046	0.046	0.000	0.000	0.000	0.000
102	A	124	VAL	0	-0.052	-0.029	21.106	-0.004	-0.004	0.000	0.000	0.000	0.000
103	A	125	PHE	0	-0.006	-0.010	18.626	0.012	0.012	0.000	0.000	0.000	0.000
104	A	126	MET	0	-0.008	0.008	21.531	-0.034	-0.034	0.000	0.000	0.000	0.000
105	A	127	GLY	0	0.007	-0.006	24.059	0.016	0.016	0.000	0.000	0.000	0.000
106	A	128	LEU	0	-0.039	-0.027	24.996	0.017	0.017	0.000	0.000	0.000	0.000
107	A	129	THR	0	-0.034	-0.011	28.694	-0.006	-0.006	0.000	0.000	0.000	0.000
108	A	130	HIS	0	0.027	0.004	29.314	0.010	0.010	0.000	0.000	0.000	0.000
109	A	131	ASN	0	-0.011	0.003	33.591	0.004	0.004	0.000	0.000	0.000	0.000
110	A	152	THR	0	-0.031	-0.030	34.204	-0.007	-0.007	0.000	0.000	0.000	0.000
111	A	153	SER	0	0.001	0.002	30.348	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	154	PHE	0	0.030	0.006	32.248	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	155	SER	0	0.026	0.021	27.732	0.004	0.004	0.000	0.000	0.000	0.000
114	A	156	LEU	0	-0.014	-0.016	29.652	-0.015	-0.015	0.000	0.000	0.000	0.000
115	A	157	ALA	0	0.008	0.011	29.638	0.002	0.002	0.000	0.000	0.000	0.000
116	A	158	SER	0	0.038	-0.020	25.415	0.010	0.010	0.000	0.000	0.000	0.000
117	A	159	GLY	0	0.019	0.013	27.780	-0.009	-0.009	0.000	0.000	0.000	0.000
118	A	160	ARG	1	0.898	0.940	30.265	0.312	0.312	0.000	0.000	0.000	0.000
119	A	161	ILE	0	0.038	0.022	26.368	0.011	0.011	0.000	0.000	0.000	0.000
120	A	162	ALA	0	0.010	-0.004	27.372	0.000	0.000	0.000	0.000	0.000	0.000
121	A	163	TYR	0	-0.042	-0.021	28.672	0.009	0.009	0.000	0.000	0.000	0.000
122	A	164	ALA	0	-0.006	-0.006	31.634	0.011	0.011	0.000	0.000	0.000	0.000
123	A	165	LEU	0	-0.008	-0.001	26.621	0.006	0.006	0.000	0.000	0.000	0.000
124	A	166	GLY	0	0.018	0.020	29.902	-0.002	-0.002	0.000	0.000	0.000	0.000
125	A	167	VAL	0	-0.057	0.008	25.604	0.002	0.002	0.000	0.000	0.000	0.000
126	A	168	HIS	0	-0.099	-0.058	25.074	0.007	0.007	0.000	0.000	0.000	0.000
127	A	169	GLY	0	0.088	0.035	22.965	-0.041	-0.041	0.000	0.000	0.000	0.000
128	A	170	PRO	0	-0.069	-0.010	19.631	0.061	0.061	0.000	0.000	0.000	0.000
129	A	171	ALA	0	0.043	0.016	22.787	-0.022	-0.022	0.000	0.000	0.000	0.000
130	A	172	ILE	0	-0.028	-0.022	21.999	0.047	0.047	0.000	0.000	0.000	0.000
131	A	173	THR	0	-0.013	0.029	24.390	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	174	VAL	0	-0.055	-0.029	22.220	0.005	0.005	0.000	0.000	0.000	0.000
133	A	175	ASP	-1	-0.696	-0.835	25.351	-0.357	-0.357	0.000	0.000	0.000	0.000
134	A	176	THR	0	-0.074	-0.047	24.400	-0.018	-0.018	0.000	0.000	0.000	0.000
135	A	177	ALA	0	0.006	0.015	26.629	0.011	0.011	0.000	0.000	0.000	0.000
136	A	178	CYS	0	-0.089	-0.063	27.449	0.015	0.015	0.000	0.000	0.000	0.000
137	A	179	SER	0	-0.056	-0.041	22.190	-0.035	-0.035	0.000	0.000	0.000	0.000
138	A	180	SER	0	0.045	0.010	19.691	0.024	0.024	0.000	0.000	0.000	0.000
139	A	181	SER	0	0.030	0.025	21.301	-0.053	-0.053	0.000	0.000	0.000	0.000
140	A	182	LEU	0	0.009	0.018	15.667	-0.022	-0.022	0.000	0.000	0.000	0.000
141	A	183	SER	0	-0.058	-0.052	16.733	-0.130	-0.130	0.000	0.000	0.000	0.000
142	A	184	ALA	0	0.026	0.009	17.200	-0.094	-0.094	0.000	0.000	0.000	0.000
143	A	185	ILE	0	0.065	0.038	14.082	-0.053	-0.053	0.000	0.000	0.000	0.000
144	A	186	HIS	0	0.047	0.038	11.341	-0.302	-0.302	0.000	0.000	0.000	0.000
145	A	187	MET	0	-0.069	-0.035	12.939	-0.165	-0.165	0.000	0.000	0.000	0.000
146	A	188	ALA	0	0.040	0.034	15.047	-0.066	-0.066	0.000	0.000	0.000	0.000
147	A	189	CYS	0	-0.029	-0.018	9.850	-0.034	-0.034	0.000	0.000	0.000	0.000
148	A	190	ARG	1	0.766	0.827	10.734	1.537	1.537	0.000	0.000	0.000	0.000
149	A	191	SER	0	-0.058	-0.038	11.930	0.012	0.012	0.000	0.000	0.000	0.000
150	A	192	LEU	0	-0.022	-0.002	11.854	0.054	0.054	0.000	0.000	0.000	0.000
151	A	193	HIS	0	-0.030	0.007	7.250	-0.667	-0.667	0.000	0.000	0.000	0.000
152	A	194	ASP	-1	-0.806	-0.881	10.457	-1.542	-1.542	0.000	0.000	0.000	0.000
153	A	195	GLY	0	-0.021	0.002	13.581	0.169	0.169	0.000	0.000	0.000	0.000
154	A	196	GLU	-1	-0.900	-0.914	15.503	-0.859	-0.859	0.000	0.000	0.000	0.000
155	A	197	SER	0	-0.032	-0.028	16.383	0.133	0.133	0.000	0.000	0.000	0.000
156	A	198	ASP	-1	-0.837	-0.900	15.975	-0.996	-0.996	0.000	0.000	0.000	0.000
157	A	199	VAL	0	-0.036	-0.030	16.523	-0.077	-0.077	0.000	0.000	0.000	0.000
158	A	200	ALA	0	-0.007	-0.008	16.562	0.014	0.014	0.000	0.000	0.000	0.000
159	A	201	LEU	0	0.006	0.019	18.497	-0.011	-0.011	0.000	0.000	0.000	0.000
160	A	202	ALA	0	0.024	-0.009	18.022	-0.008	-0.008	0.000	0.000	0.000	0.000
161	A	203	GLY	0	0.002	-0.005	20.055	0.006	0.006	0.000	0.000	0.000	0.000
162	A	204	GLY	0	-0.008	0.003	22.156	-0.009	-0.009	0.000	0.000	0.000	0.000
163	A	205	VAL	0	-0.028	-0.014	25.273	0.013	0.013	0.000	0.000	0.000	0.000
164	A	206	SER	0	-0.050	-0.037	28.938	0.000	0.000	0.000	0.000	0.000	0.000
165	A	207	VAL	0	0.033	0.004	31.585	0.007	0.007	0.000	0.000	0.000	0.000
166	A	208	LEU	0	-0.026	-0.014	35.111	0.000	0.000	0.000	0.000	0.000	0.000
167	A	209	LEU	0	-0.032	-0.016	37.871	0.010	0.010	0.000	0.000	0.000	0.000
168	A	210	GLU	-1	-0.980	-0.983	40.723	-0.163	-0.163	0.000	0.000	0.000	0.000
169	A	221	GLY	0	0.012	-0.009	33.237	0.002	0.002	0.000	0.000	0.000	0.000
170	A	222	MET	0	-0.048	-0.025	34.244	0.006	0.006	0.000	0.000	0.000	0.000
171	A	223	LEU	0	0.007	0.002	36.027	-0.012	-0.012	0.000	0.000	0.000	0.000
172	A	224	SER	0	-0.004	-0.011	36.868	0.014	0.014	0.000	0.000	0.000	0.000
173	A	225	PRO	0	-0.036	-0.021	38.709	0.000	0.000	0.000	0.000	0.000	0.000
174	A	226	THR	0	-0.082	-0.063	40.536	0.001	0.001	0.000	0.000	0.000	0.000
175	A	227	GLY	0	0.016	0.007	40.069	0.000	0.000	0.000	0.000	0.000	0.000
176	A	228	HIS	1	0.799	0.897	36.534	0.157	0.157	0.000	0.000	0.000	0.000
177	A	229	CYS	0	-0.040	0.022	31.557	0.004	0.004	0.000	0.000	0.000	0.000
178	A	230	HIS	0	0.021	-0.019	33.468	-0.004	-0.004	0.000	0.000	0.000	0.000
179	A	231	ALA	0	-0.004	0.005	28.376	0.004	0.004	0.000	0.000	0.000	0.000
180	A	232	PHE	0	0.004	-0.011	24.248	0.011	0.011	0.000	0.000	0.000	0.000
181	A	233	ASP	-1	-0.691	-0.838	30.034	-0.084	-0.084	0.000	0.000	0.000	0.000
182	A	234	THR	0	-0.093	-0.062	33.722	0.002	0.002	0.000	0.000	0.000	0.000
183	A	235	ALA	0	-0.038	-0.009	36.679	0.004	0.004	0.000	0.000	0.000	0.000
184	A	236	ALA	0	-0.038	-0.014	34.771	0.000	0.000	0.000	0.000	0.000	0.000
185	A	237	ASP	-1	-0.739	-0.845	35.840	-0.122	-0.122	0.000	0.000	0.000	0.000
186	A	238	GLY	0	-0.038	-0.015	35.066	0.002	0.002	0.000	0.000	0.000	0.000
187	A	239	PHE	0	-0.052	-0.041	31.953	-0.007	-0.007	0.000	0.000	0.000	0.000
188	A	240	VAL	0	0.016	0.009	33.630	0.013	0.013	0.000	0.000	0.000	0.000
189	A	241	SER	0	-0.016	-0.011	33.036	-0.009	-0.009	0.000	0.000	0.000	0.000
190	A	242	ALA	0	0.006	0.012	31.954	0.015	0.015	0.000	0.000	0.000	0.000
191	A	243	GLU	-1	-0.743	-0.805	32.638	-0.254	-0.254	0.000	0.000	0.000	0.000
192	A	244	GLY	0	0.030	0.003	30.831	0.000	0.000	0.000	0.000	0.000	0.000
193	A	245	CYS	0	-0.098	-0.032	28.666	-0.019	-0.019	0.000	0.000	0.000	0.000
194	A	246	VAL	0	0.006	0.000	23.039	0.011	0.011	0.000	0.000	0.000	0.000
195	A	247	VAL	0	-0.025	-0.010	22.844	-0.032	-0.032	0.000	0.000	0.000	0.000
196	A	248	LEU	0	-0.014	-0.010	17.116	0.017	0.017	0.000	0.000	0.000	0.000
197	A	249	THR	0	0.018	-0.008	19.505	-0.006	-0.006	0.000	0.000	0.000	0.000
198	A	250	LEU	0	-0.075	-0.033	14.268	-0.041	-0.041	0.000	0.000	0.000	0.000
199	A	251	LYS	1	0.876	0.914	14.356	0.853	0.853	0.000	0.000	0.000	0.000
200	A	252	ARG	1	0.807	0.878	10.552	1.184	1.184	0.000	0.000	0.000	0.000
201	A	253	LEU	0	-0.029	-0.026	8.265	0.247	0.247	0.000	0.000	0.000	0.000
202	A	254	ASP	-1	-0.873	-0.944	10.035	-1.572	-1.572	0.000	0.000	0.000	0.000
203	A	255	ASP	-1	-0.785	-0.889	12.291	-0.890	-0.890	0.000	0.000	0.000	0.000
204	A	256	ALA	0	-0.034	-0.020	14.244	0.127	0.127	0.000	0.000	0.000	0.000
205	A	257	VAL	0	-0.058	-0.031	14.017	0.118	0.118	0.000	0.000	0.000	0.000
206	A	258	ALA	0	-0.064	-0.027	16.386	0.103	0.103	0.000	0.000	0.000	0.000
207	A	259	ASP	-1	-0.820	-0.888	18.375	-0.570	-0.570	0.000	0.000	0.000	0.000
208	A	260	GLY	0	-0.064	-0.021	19.678	0.047	0.047	0.000	0.000	0.000	0.000
209	A	261	ASP	-1	-0.810	-0.887	18.497	-0.619	-0.619	0.000	0.000	0.000	0.000
210	A	262	ARG	1	0.767	0.854	19.298	0.485	0.485	0.000	0.000	0.000	0.000
211	A	263	ILE	0	-0.033	-0.015	13.877	-0.033	-0.033	0.000	0.000	0.000	0.000
212	A	264	LEU	0	-0.050	-0.008	17.471	0.078	0.078	0.000	0.000	0.000	0.000
213	A	265	ALA	0	-0.029	-0.030	14.541	0.070	0.070	0.000	0.000	0.000	0.000
214	A	266	VAL	0	-0.007	-0.001	8.419	-0.059	-0.059	0.000	0.000	0.000	0.000
215	A	267	ILE	0	0.014	0.005	8.922	0.063	0.063	0.000	0.000	0.000	0.000
216	A	268	ARG	1	0.807	0.891	2.830	1.345	2.088	0.044	-0.244	-0.543	0.001
217	A	269	GLY	0	0.027	0.007	4.508	-2.515	-2.451	-0.001	-0.011	-0.053	0.000
218	A	270	THR	0	-0.019	-0.022	6.212	0.809	0.809	0.000	0.000	0.000	0.000
219	A	271	ALA	0	-0.062	-0.027	8.830	-0.290	-0.290	0.000	0.000	0.000	0.000
220	A	272	THR	0	0.032	0.012	11.369	0.187	0.187	0.000	0.000	0.000	0.000
221	A	273	ASN	0	-0.035	-0.032	15.093	0.001	0.001	0.000	0.000	0.000	0.000
222	A	274	GLN	0	0.062	0.049	17.931	-0.036	-0.036	0.000	0.000	0.000	0.000
223	A	275	ASP	-1	-0.810	-0.882	21.130	-0.323	-0.323	0.000	0.000	0.000	0.000
224	A	276	GLY	0	-0.063	-0.031	23.758	0.045	0.045	0.000	0.000	0.000	0.000
225	A	285	SER	0	-0.012	-0.023	25.521	-0.006	-0.006	0.000	0.000	0.000	0.000
226	A	286	ALA	0	-0.010	-0.007	24.583	0.024	0.024	0.000	0.000	0.000	0.000
227	A	287	ASP	-1	-0.833	-0.914	23.982	-0.132	-0.132	0.000	0.000	0.000	0.000
228	A	288	ALA	0	-0.003	-0.002	21.599	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	289	GLN	0	-0.014	-0.015	19.364	-0.043	-0.043	0.000	0.000	0.000	0.000
230	A	290	ALA	0	0.083	0.048	17.612	-0.074	-0.074	0.000	0.000	0.000	0.000
231	A	291	LYS	1	0.808	0.882	15.170	0.430	0.430	0.000	0.000	0.000	0.000
232	A	292	VAL	0	-0.023	-0.022	13.674	-0.070	-0.070	0.000	0.000	0.000	0.000
233	A	293	TYR	0	0.060	0.016	12.311	-0.204	-0.204	0.000	0.000	0.000	0.000
234	A	294	ARG	1	0.837	0.901	10.945	-0.319	-0.319	0.000	0.000	0.000	0.000
235	A	295	MET	0	-0.046	0.003	9.152	0.070	0.070	0.000	0.000	0.000	0.000
236	A	296	ALA	0	0.026	0.022	7.884	-0.521	-0.521	0.000	0.000	0.000	0.000
237	A	297	LEU	0	0.028	0.018	6.401	-0.949	-0.949	0.000	0.000	0.000	0.000
238	A	298	LYS	1	0.917	0.961	5.028	0.210	0.210	0.000	0.000	0.000	0.000
239	A	299	ALA	0	-0.054	-0.029	3.281	-1.949	-0.921	0.043	-0.508	-0.562	-0.003
240	A	300	ALA	0	0.071	0.031	1.974	-12.774	-13.316	6.578	-3.240	-2.797	-0.043
241	A	301	GLY	0	-0.018	-0.004	2.296	-0.810	0.506	6.410	-3.810	-3.916	-0.002
242	A	302	VAL	0	-0.057	-0.037	3.024	1.691	0.241	0.275	2.312	-1.137	-0.003
243	A	303	GLU	-1	-0.874	-0.933	6.005	1.255	1.255	0.000	0.000	0.000	0.000
244	A	304	PRO	0	0.012	0.008	9.239	-0.290	-0.290	0.000	0.000	0.000	0.000
245	A	305	GLY	0	0.039	0.024	12.356	-0.103	-0.103	0.000	0.000	0.000	0.000
246	A	306	THR	0	-0.087	-0.047	10.463	-0.080	-0.080	0.000	0.000	0.000	0.000
247	A	307	VAL	0	-0.060	-0.019	12.000	-0.128	-0.128	0.000	0.000	0.000	0.000
248	A	308	GLY	0	0.026	0.014	14.369	0.072	0.072	0.000	0.000	0.000	0.000
249	A	309	LEU	0	-0.032	-0.021	17.199	0.018	0.018	0.000	0.000	0.000	0.000
250	A	310	VAL	0	0.012	-0.001	16.598	-0.084	-0.084	0.000	0.000	0.000	0.000
251	A	311	GLU	-1	-0.788	-0.867	18.276	-0.327	-0.327	0.000	0.000	0.000	0.000
252	A	312	ALA	0	0.029	0.009	19.443	-0.063	-0.063	0.000	0.000	0.000	0.000
253	A	313	HIS	0	-0.006	-0.012	21.200	-0.021	-0.021	0.000	0.000	0.000	0.000
254	A	314	GLY	0	0.010	0.011	23.079	0.014	0.014	0.000	0.000	0.000	0.000
255	A	315	THR	0	-0.033	-0.001	25.924	-0.001	-0.001	0.000	0.000	0.000	0.000
256	A	316	GLY	0	0.021	0.000	28.741	0.006	0.006	0.000	0.000	0.000	0.000
257	A	317	THR	0	-0.036	-0.016	30.349	0.020	0.020	0.000	0.000	0.000	0.000
258	A	318	PRO	0	0.045	0.015	31.743	-0.003	-0.003	0.000	0.000	0.000	0.000
259	A	319	VAL	0	-0.040	-0.023	31.827	0.008	0.008	0.000	0.000	0.000	0.000
260	A	320	GLY	0	-0.017	-0.002	28.437	-0.004	-0.004	0.000	0.000	0.000	0.000
261	A	321	ASP	-1	-0.755	-0.866	27.179	-0.233	-0.233	0.000	0.000	0.000	0.000
262	A	322	PRO	0	0.052	0.008	27.170	0.000	0.000	0.000	0.000	0.000	0.000
263	A	323	LEU	0	0.012	0.033	25.813	0.015	0.015	0.000	0.000	0.000	0.000
264	A	324	GLU	-1	-0.696	-0.808	21.297	-0.378	-0.378	0.000	0.000	0.000	0.000
265	A	325	PHE	0	0.001	-0.004	22.726	-0.005	-0.005	0.000	0.000	0.000	0.000
266	A	326	SER	0	0.001	-0.020	23.984	0.026	0.026	0.000	0.000	0.000	0.000
267	A	327	SER	0	-0.047	-0.035	20.726	0.028	0.028	0.000	0.000	0.000	0.000
268	A	328	LEU	0	-0.045	-0.027	18.031	0.007	0.007	0.000	0.000	0.000	0.000
269	A	329	ALA	0	0.028	0.020	19.546	0.028	0.028	0.000	0.000	0.000	0.000
270	A	330	GLU	-1	-0.886	-0.906	18.137	0.105	0.105	0.000	0.000	0.000	0.000
271	A	331	VAL	0	-0.110	-0.061	14.001	0.069	0.069	0.000	0.000	0.000	0.000
272	A	332	TYR	0	0.056	0.012	12.139	-0.003	-0.003	0.000	0.000	0.000	0.000
273	A	333	GLY	0	0.046	0.021	17.895	0.000	0.000	0.000	0.000	0.000	0.000
274	A	334	THR	0	-0.021	-0.001	18.347	0.000	0.000	0.000	0.000	0.000	0.000
275	A	335	ASP	-1	-0.919	-0.956	17.916	0.423	0.423	0.000	0.000	0.000	0.000
276	A	336	GLY	0	-0.022	-0.010	19.236	-0.029	-0.029	0.000	0.000	0.000	0.000
277	A	337	PRO	0	-0.053	-0.019	21.404	-0.011	-0.011	0.000	0.000	0.000	0.000
278	A	338	CYS	0	-0.016	-0.019	19.219	-0.024	-0.024	0.000	0.000	0.000	0.000
279	A	339	ALA	0	0.011	0.020	21.222	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	340	LEU	0	-0.008	-0.002	21.297	-0.039	-0.039	0.000	0.000	0.000	0.000
281	A	341	GLY	0	0.004	-0.008	22.468	0.024	0.024	0.000	0.000	0.000	0.000
282	A	342	SER	0	-0.025	-0.052	23.633	-0.028	-0.028	0.000	0.000	0.000	0.000
283	A	343	ILE	0	0.010	0.014	24.838	0.031	0.031	0.000	0.000	0.000	0.000
284	A	344	LYS	1	0.863	0.947	23.539	0.414	0.414	0.000	0.000	0.000	0.000
285	A	345	THR	0	-0.066	-0.024	29.083	0.020	0.020	0.000	0.000	0.000	0.000
286	A	346	ASN	0	-0.012	-0.009	30.062	0.003	0.003	0.000	0.000	0.000	0.000
287	A	347	PHE	0	0.020	-0.014	29.948	0.008	0.008	0.000	0.000	0.000	0.000
288	A	348	GLY	0	0.056	0.038	32.030	0.000	0.000	0.000	0.000	0.000	0.000
289	A	349	HIS	0	-0.021	-0.028	26.305	-0.029	-0.029	0.000	0.000	0.000	0.000
290	A	350	THR	0	0.028	0.020	27.495	0.001	0.001	0.000	0.000	0.000	0.000
291	A	351	GLN	0	0.055	0.017	28.326	-0.011	-0.011	0.000	0.000	0.000	0.000
292	A	352	SER	0	0.000	0.002	25.664	-0.026	-0.026	0.000	0.000	0.000	0.000
293	A	353	ALA	0	0.023	0.030	24.483	-0.049	-0.049	0.000	0.000	0.000	0.000
294	A	354	ALA	0	-0.030	0.001	24.128	-0.032	-0.032	0.000	0.000	0.000	0.000
295	A	355	GLY	0	0.028	0.004	20.369	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	356	ALA	0	0.041	0.011	19.832	-0.045	-0.045	0.000	0.000	0.000	0.000
297	A	357	LEU	0	0.006	0.009	20.892	-0.010	-0.010	0.000	0.000	0.000	0.000
298	A	358	GLY	0	0.033	0.020	20.955	0.023	0.023	0.000	0.000	0.000	0.000
299	A	359	VAL	0	-0.005	-0.014	16.005	-0.005	-0.005	0.000	0.000	0.000	0.000
300	A	360	MET	0	0.019	0.015	18.424	0.012	0.012	0.000	0.000	0.000	0.000
301	A	361	LYS	1	0.869	0.933	21.299	0.352	0.352	0.000	0.000	0.000	0.000
302	A	362	ALA	0	-0.008	-0.005	17.313	0.032	0.032	0.000	0.000	0.000	0.000
303	A	363	VAL	0	0.001	-0.006	16.387	0.009	0.009	0.000	0.000	0.000	0.000
304	A	364	LEU	0	-0.009	0.000	18.597	0.042	0.042	0.000	0.000	0.000	0.000
305	A	365	ALA	0	-0.003	0.002	20.688	0.046	0.046	0.000	0.000	0.000	0.000
306	A	366	LEU	0	-0.037	-0.002	14.874	0.041	0.041	0.000	0.000	0.000	0.000
307	A	367	GLN	0	0.004	0.008	18.807	0.042	0.042	0.000	0.000	0.000	0.000
308	A	368	HIS	1	0.784	0.896	20.949	0.379	0.379	0.000	0.000	0.000	0.000
309	A	369	ASN	0	0.018	0.008	21.984	-0.020	-0.020	0.000	0.000	0.000	0.000
310	A	370	VAL	0	-0.027	-0.021	23.950	0.034	0.034	0.000	0.000	0.000	0.000
311	A	371	ILE	0	0.021	0.013	21.602	-0.039	-0.039	0.000	0.000	0.000	0.000
312	A	372	PRO	0	-0.045	-0.015	24.799	0.024	0.024	0.000	0.000	0.000	0.000
313	A	373	GLN	0	0.017	0.001	27.212	-0.012	-0.012	0.000	0.000	0.000	0.000
314	A	374	ASN	0	-0.012	0.002	26.642	-0.043	-0.043	0.000	0.000	0.000	0.000
315	A	375	LEU	0	-0.041	-0.023	29.969	0.019	0.019	0.000	0.000	0.000	0.000
316	A	376	HIS	0	-0.079	-0.050	32.958	0.008	0.008	0.000	0.000	0.000	0.000
317	A	377	PHE	0	0.015	0.005	31.587	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	378	THR	0	-0.113	-0.056	34.713	0.009	0.009	0.000	0.000	0.000	0.000
319	A	379	ARG	1	0.819	0.871	35.500	0.062	0.062	0.000	0.000	0.000	0.000
320	A	380	LEU	0	0.064	0.051	29.411	-0.010	-0.010	0.000	0.000	0.000	0.000
321	A	381	PRO	0	0.016	0.000	32.156	0.009	0.009	0.000	0.000	0.000	0.000
322	A	382	ASP	-1	-0.833	-0.892	34.324	-0.034	-0.034	0.000	0.000	0.000	0.000
323	A	383	GLN	0	-0.110	-0.050	34.757	0.002	0.002	0.000	0.000	0.000	0.000
324	A	384	MET	0	-0.041	-0.016	29.715	-0.004	-0.004	0.000	0.000	0.000	0.000
325	A	385	ALA	0	0.004	0.008	30.766	-0.006	-0.006	0.000	0.000	0.000	0.000
326	A	386	GLU	-1	-0.935	-0.972	32.277	0.016	0.016	0.000	0.000	0.000	0.000
327	A	387	ILE	0	-0.017	0.006	26.343	0.017	0.017	0.000	0.000	0.000	0.000
328	A	388	GLU	-1	-0.946	-0.971	27.576	0.101	0.101	0.000	0.000	0.000	0.000
329	A	389	THR	0	-0.056	-0.011	22.999	0.012	0.012	0.000	0.000	0.000	0.000
330	A	390	GLY	0	0.005	0.004	23.748	-0.016	-0.016	0.000	0.000	0.000	0.000
331	A	391	LEU	0	-0.021	-0.021	20.681	-0.024	-0.024	0.000	0.000	0.000	0.000
332	A	392	PHE	0	-0.034	-0.011	23.855	0.006	0.006	0.000	0.000	0.000	0.000
333	A	393	VAL	0	0.034	0.022	25.812	-0.028	-0.028	0.000	0.000	0.000	0.000
334	A	394	PRO	0	-0.033	-0.006	25.980	0.020	0.020	0.000	0.000	0.000	0.000
335	A	395	GLU	-1	-0.863	-0.942	28.777	-0.092	-0.092	0.000	0.000	0.000	0.000
336	A	396	THR	0	-0.079	-0.047	31.511	0.004	0.004	0.000	0.000	0.000	0.000
337	A	397	ILE	0	0.043	0.019	29.681	-0.009	-0.009	0.000	0.000	0.000	0.000
338	A	398	THR	0	-0.009	0.015	26.601	0.016	0.016	0.000	0.000	0.000	0.000
339	A	399	PRO	0	-0.039	-0.043	26.591	-0.021	-0.021	0.000	0.000	0.000	0.000
340	A	400	TRP	0	0.021	0.009	16.901	-0.005	-0.005	0.000	0.000	0.000	0.000
341	A	401	PRO	0	-0.022	0.002	20.194	0.025	0.025	0.000	0.000	0.000	0.000
342	A	402	VAL	0	-0.004	0.002	16.043	0.024	0.024	0.000	0.000	0.000	0.000
343	A	403	ARG	1	0.955	0.953	19.506	-0.044	-0.044	0.000	0.000	0.000	0.000
344	A	404	GLU	-1	-0.891	-0.932	16.914	0.203	0.203	0.000	0.000	0.000	0.000
345	A	405	GLY	0	-0.046	-0.032	16.490	0.059	0.059	0.000	0.000	0.000	0.000
346	A	406	GLN	0	-0.014	0.005	10.714	-0.027	-0.027	0.000	0.000	0.000	0.000
347	A	407	PRO	0	-0.003	0.018	11.261	-0.011	-0.011	0.000	0.000	0.000	0.000
348	A	408	ARG	1	0.872	0.942	13.440	0.327	0.327	0.000	0.000	0.000	0.000
349	A	409	ARG	1	0.822	0.868	8.925	0.232	0.232	0.000	0.000	0.000	0.000
350	A	410	ALA	0	0.011	-0.002	13.264	0.143	0.143	0.000	0.000	0.000	0.000
351	A	411	ALA	0	-0.025	-0.006	12.655	-0.187	-0.187	0.000	0.000	0.000	0.000
352	A	412	VAL	0	-0.007	-0.002	14.099	0.103	0.103	0.000	0.000	0.000	0.000
353	A	413	SER	0	-0.006	-0.006	15.212	-0.123	-0.123	0.000	0.000	0.000	0.000
354	A	414	ALA	0	0.010	0.002	17.743	0.036	0.036	0.000	0.000	0.000	0.000
355	A	415	TYR	0	-0.039	-0.037	18.788	-0.065	-0.065	0.000	0.000	0.000	0.000
356	A	416	GLY	0	0.040	0.023	22.354	0.021	0.021	0.000	0.000	0.000	0.000
357	A	417	LEU	0	-0.029	-0.021	24.722	0.020	0.020	0.000	0.000	0.000	0.000
358	A	418	SER	0	-0.023	-0.004	25.084	0.027	0.027	0.000	0.000	0.000	0.000
359	A	419	GLY	0	0.011	0.014	25.031	0.011	0.011	0.000	0.000	0.000	0.000
360	A	420	THR	0	-0.075	-0.047	20.244	-0.008	-0.008	0.000	0.000	0.000	0.000
361	A	421	ASN	0	-0.006	-0.003	18.932	-0.007	-0.007	0.000	0.000	0.000	0.000
362	A	422	VAL	0	-0.038	-0.035	14.853	-0.065	-0.065	0.000	0.000	0.000	0.000
363	A	423	HIS	0	0.020	0.009	11.842	0.103	0.103	0.000	0.000	0.000	0.000
364	A	424	ALA	0	0.004	-0.004	10.843	-0.280	-0.280	0.000	0.000	0.000	0.000
365	A	425	VAL	0	0.007	0.002	7.919	0.280	0.280	0.000	0.000	0.000	0.000
366	A	426	LEU	0	-0.008	-0.004	9.243	-0.403	-0.403	0.000	0.000	0.000	0.000
367	A	427	GLU	-1	-0.743	-0.844	8.229	-0.937	-0.937	0.000	0.000	0.000	0.000
368	A	428	GLN	0	-0.014	-0.014	11.836	0.003	0.003	0.000	0.000	0.000	0.000
369	A	429	ALA	0	0.026	0.020	13.392	-0.109	-0.109	0.000	0.000	0.000	0.000
370	A	430	PRO	0	-0.009	-0.014	12.618	0.096	0.096	0.000	0.000	0.000	0.000
371	A	431	GLU	-1	-0.882	-0.917	15.186	-0.212	-0.212	0.000	0.000	0.000	0.000
372	A	432	SER	0	0.026	0.010	18.529	0.017	0.017	0.000	0.000	0.000	0.000
373	A	433	PRO	0	-0.075	-0.031	20.824	0.032	0.032	0.000	0.000	0.000	0.000
374	A	444	LYS	1	0.971	0.976	44.686	0.067	0.067	0.000	0.000	0.000	0.000
375	A	445	ALA	0	0.006	-0.004	44.123	-0.004	-0.004	0.000	0.000	0.000	0.000
376	A	446	GLY	0	0.000	-0.004	45.416	0.006	0.006	0.000	0.000	0.000	0.000
377	A	447	ASN	0	-0.026	-0.011	45.786	0.003	0.003	0.000	0.000	0.000	0.000
378	A	448	ALA	0	0.009	0.010	45.697	-0.004	-0.004	0.000	0.000	0.000	0.000
379	A	449	LEU	0	-0.022	-0.008	40.063	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	450	VAL	0	0.055	0.027	42.474	0.003	0.003	0.000	0.000	0.000	0.000
381	A	451	PHE	0	-0.007	-0.007	39.395	-0.010	-0.010	0.000	0.000	0.000	0.000
382	A	452	PRO	0	0.028	0.014	38.933	0.005	0.005	0.000	0.000	0.000	0.000
383	A	453	VAL	0	-0.009	-0.012	39.372	-0.010	-0.010	0.000	0.000	0.000	0.000
384	A	454	SER	0	0.013	0.003	38.922	0.006	0.006	0.000	0.000	0.000	0.000
385	A	455	ALA	0	0.002	0.000	39.472	-0.011	-0.011	0.000	0.000	0.000	0.000
386	A	456	SER	0	-0.014	-0.029	40.550	0.006	0.006	0.000	0.000	0.000	0.000
387	A	457	SER	0	0.013	-0.009	42.039	0.009	0.009	0.000	0.000	0.000	0.000
388	A	458	ALA	0	0.054	0.013	45.195	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	459	ASP	-1	-0.819	-0.900	47.298	-0.147	-0.147	0.000	0.000	0.000	0.000
390	A	460	ALA	0	0.029	0.043	41.993	0.000	0.000	0.000	0.000	0.000	0.000
391	A	461	LEU	0	-0.027	0.008	42.665	-0.007	-0.007	0.000	0.000	0.000	0.000
392	A	462	ARG	1	0.834	0.910	44.067	0.140	0.140	0.000	0.000	0.000	0.000
393	A	463	SER	0	-0.016	-0.019	43.194	0.003	0.003	0.000	0.000	0.000	0.000
394	A	464	THR	0	-0.019	-0.023	38.674	-0.006	-0.006	0.000	0.000	0.000	0.000
395	A	465	ALA	0	-0.005	0.000	40.914	-0.003	-0.003	0.000	0.000	0.000	0.000
396	A	466	GLN	0	-0.005	-0.012	43.334	0.006	0.006	0.000	0.000	0.000	0.000
397	A	467	HIS	0	-0.038	-0.023	39.176	-0.003	-0.003	0.000	0.000	0.000	0.000
398	A	468	LEU	0	0.003	0.011	37.233	-0.006	-0.006	0.000	0.000	0.000	0.000
399	A	469	ALA	0	0.062	0.027	39.893	0.003	0.003	0.000	0.000	0.000	0.000
400	A	470	ASP	-1	-0.827	-0.912	41.139	-0.157	-0.157	0.000	0.000	0.000	0.000
401	A	471	TRP	0	-0.052	-0.018	32.597	0.001	0.001	0.000	0.000	0.000	0.000
402	A	472	LEU	0	0.037	0.005	38.670	0.003	0.003	0.000	0.000	0.000	0.000
403	A	473	LEU	0	-0.041	-0.011	40.428	0.008	0.008	0.000	0.000	0.000	0.000
404	A	474	ARG	1	0.856	0.931	36.809	0.196	0.196	0.000	0.000	0.000	0.000
405	A	475	SER	0	-0.040	-0.034	36.663	-0.006	-0.006	0.000	0.000	0.000	0.000
406	A	476	GLY	0	-0.007	0.005	38.629	0.002	0.002	0.000	0.000	0.000	0.000
407	A	477	ASP	-1	-0.851	-0.892	40.538	-0.108	-0.108	0.000	0.000	0.000	0.000
408	A	478	GLY	0	-0.011	-0.011	40.850	-0.004	-0.004	0.000	0.000	0.000	0.000
409	A	479	ASN	0	-0.074	-0.057	40.326	0.004	0.004	0.000	0.000	0.000	0.000
410	A	480	GLY	0	0.071	0.060	38.963	-0.005	-0.005	0.000	0.000	0.000	0.000
411	A	481	ARG	1	0.944	0.963	30.210	0.207	0.207	0.000	0.000	0.000	0.000
412	A	482	GLY	0	0.013	0.008	36.297	0.001	0.001	0.000	0.000	0.000	0.000
413	A	483	PRO	0	-0.053	-0.024	33.827	0.006	0.006	0.000	0.000	0.000	0.000
414	A	484	ALA	0	0.061	0.013	36.478	-0.008	-0.008	0.000	0.000	0.000	0.000
415	A	485	ILE	0	-0.024	0.000	35.204	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	486	ASP	-1	-0.835	-0.896	34.346	-0.160	-0.160	0.000	0.000	0.000	0.000
417	A	487	LEU	0	0.020	-0.001	36.059	-0.011	-0.011	0.000	0.000	0.000	0.000
418	A	488	GLY	0	0.058	0.037	37.066	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	489	ASP	-1	-0.766	-0.866	31.855	-0.230	-0.230	0.000	0.000	0.000	0.000
420	A	490	LEU	0	-0.026	0.000	33.181	-0.017	-0.017	0.000	0.000	0.000	0.000
421	A	491	ALA	0	0.023	0.022	35.365	-0.009	-0.009	0.000	0.000	0.000	0.000
422	A	492	TYR	0	0.007	0.004	27.775	-0.009	-0.009	0.000	0.000	0.000	0.000
423	A	493	THR	0	-0.036	-0.039	30.485	-0.022	-0.022	0.000	0.000	0.000	0.000
424	A	494	LEU	0	-0.056	-0.029	32.265	-0.014	-0.014	0.000	0.000	0.000	0.000
425	A	495	ALA	0	0.019	0.011	35.180	-0.004	-0.004	0.000	0.000	0.000	0.000
426	A	496	ARG	1	0.823	0.913	30.909	0.255	0.255	0.000	0.000	0.000	0.000
427	A	497	ARG	1	0.756	0.881	23.052	0.433	0.433	0.000	0.000	0.000	0.000
428	A	498	ARG	1	0.827	0.902	28.887	0.317	0.317	0.000	0.000	0.000	0.000
429	A	499	GLY	0	0.038	0.003	31.687	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	500	PHE	0	-0.082	-0.015	33.492	0.011	0.011	0.000	0.000	0.000	0.000
431	A	501	ARG	1	0.849	0.925	33.905	0.277	0.277	0.000	0.000	0.000	0.000
432	A	502	ALA	0	0.048	0.030	39.620	0.007	0.007	0.000	0.000	0.000	0.000
433	A	503	ALA	0	0.028	0.034	43.254	0.009	0.009	0.000	0.000	0.000	0.000
434	A	504	ARG	1	0.720	0.810	40.261	0.195	0.195	0.000	0.000	0.000	0.000
435	A	505	SER	0	0.000	-0.006	44.124	0.011	0.011	0.000	0.000	0.000	0.000
436	A	506	ALA	0	0.061	0.019	43.747	-0.010	-0.010	0.000	0.000	0.000	0.000
437	A	507	VAL	0	-0.020	0.020	44.230	0.008	0.008	0.000	0.000	0.000	0.000
438	A	508	LEU	0	0.014	0.005	44.924	-0.004	-0.004	0.000	0.000	0.000	0.000
439	A	509	ALA	0	-0.009	0.001	45.186	0.006	0.006	0.000	0.000	0.000	0.000
440	A	510	GLY	0	0.043	0.024	45.381	-0.004	-0.004	0.000	0.000	0.000	0.000
441	A	511	ASP	-1	-0.884	-0.911	45.109	-0.106	-0.106	0.000	0.000	0.000	0.000
442	A	512	ARG	1	0.842	0.896	42.232	0.123	0.123	0.000	0.000	0.000	0.000
443	A	513	GLY	0	-0.003	0.004	44.781	-0.004	-0.004	0.000	0.000	0.000	0.000
444	A	514	THR	0	0.002	-0.051	48.371	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	515	LEU	0	-0.015	0.005	40.954	-0.002	-0.002	0.000	0.000	0.000	0.000
446	A	516	VAL	0	0.004	-0.009	44.491	-0.004	-0.004	0.000	0.000	0.000	0.000
447	A	517	GLU	-1	-0.787	-0.850	46.365	-0.108	-0.108	0.000	0.000	0.000	0.000
448	A	518	GLY	0	0.019	0.010	48.298	0.001	0.001	0.000	0.000	0.000	0.000
449	A	519	LEU	0	-0.032	-0.024	42.275	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	520	ARG	1	0.690	0.779	46.466	0.106	0.106	0.000	0.000	0.000	0.000
451	A	521	GLN	0	-0.061	-0.037	49.378	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	522	ILE	0	-0.011	0.000	45.986	0.001	0.001	0.000	0.000	0.000	0.000
453	A	523	ALA	0	-0.026	-0.014	47.182	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	524	ASP	-1	-0.868	-0.938	48.801	-0.118	-0.118	0.000	0.000	0.000	0.000
455	A	525	GLY	0	-0.061	-0.030	51.970	0.003	0.003	0.000	0.000	0.000	0.000
456	A	526	GLU	-1	-0.888	-0.910	53.443	-0.101	-0.101	0.000	0.000	0.000	0.000
457	A	527	ALA	0	-0.028	-0.009	51.329	0.003	0.003	0.000	0.000	0.000	0.000
458	A	528	MET	0	-0.045	-0.026	51.706	-0.005	-0.005	0.000	0.000	0.000	0.000
459	A	529	PRO	0	-0.021	0.001	48.089	0.000	0.000	0.000	0.000	0.000	0.000
460	A	530	GLN	0	-0.020	-0.006	48.298	0.009	0.009	0.000	0.000	0.000	0.000
461	A	531	GLN	0	-0.014	-0.018	47.268	-0.011	-0.011	0.000	0.000	0.000	0.000
462	A	532	ALA	0	0.018	0.019	44.343	0.006	0.006	0.000	0.000	0.000	0.000
463	A	533	VAL	0	-0.056	-0.034	46.291	0.001	0.001	0.000	0.000	0.000	0.000
464	A	534	THR	0	-0.085	-0.067	44.432	0.006	0.006	0.000	0.000	0.000	0.000
465	A	535	ASN	0	-0.055	-0.039	37.946	0.001	0.001	0.000	0.000	0.000	0.000
466	A	536	ASP	-1	-0.772	-0.855	38.496	-0.231	-0.231	0.000	0.000	0.000	0.000
467	A	537	ASP	-1	-0.819	-0.878	39.539	-0.197	-0.197	0.000	0.000	0.000	0.000
468	A	538	ARG	1	0.814	0.902	40.947	0.156	0.156	0.000	0.000	0.000	0.000
469	A	539	GLY	0	0.058	0.042	43.988	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	540	PRO	0	-0.036	-0.016	45.776	0.002	0.002	0.000	0.000	0.000	0.000
471	A	541	VAL	0	0.000	-0.004	49.197	0.001	0.001	0.000	0.000	0.000	0.000
472	A	542	TRP	0	0.011	0.005	49.277	0.002	0.002	0.000	0.000	0.000	0.000
473	A	543	VAL	0	-0.015	-0.009	54.467	0.002	0.002	0.000	0.000	0.000	0.000
474	A	544	PHE	0	0.045	0.015	55.459	0.001	0.001	0.000	0.000	0.000	0.000
475	A	545	SER	0	-0.011	-0.043	60.489	0.003	0.003	0.000	0.000	0.000	0.000
476	A	546	GLY	0	0.079	0.020	63.936	0.000	0.000	0.000	0.000	0.000	0.000
477	A	547	GLN	0	-0.004	-0.017	66.936	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	548	GLY	0	-0.014	0.001	70.057	0.000	0.000	0.000	0.000	0.000	0.000
479	A	549	SER	0	-0.026	0.005	65.416	0.000	0.000	0.000	0.000	0.000	0.000
480	A	550	GLN	0	0.016	-0.004	66.737	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	551	TRP	0	-0.058	-0.076	62.818	0.002	0.002	0.000	0.000	0.000	0.000
482	A	552	ALA	0	-0.014	-0.004	68.555	0.000	0.000	0.000	0.000	0.000	0.000
483	A	553	SER	0	-0.039	-0.035	67.044	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	554	MET	0	-0.029	0.029	64.468	-0.002	-0.002	0.000	0.000	0.000	0.000
485	A	555	GLY	0	0.054	0.026	61.588	-0.003	-0.003	0.000	0.000	0.000	0.000
486	A	556	ALA	0	-0.008	-0.003	60.797	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	557	GLU	-1	-0.763	-0.874	57.725	-0.076	-0.076	0.000	0.000	0.000	0.000
488	A	558	LEU	0	0.039	0.000	55.279	-0.003	-0.003	0.000	0.000	0.000	0.000
489	A	559	LEU	0	-0.036	-0.018	56.159	-0.002	-0.002	0.000	0.000	0.000	0.000
490	A	560	ASP	-1	-0.902	-0.930	56.964	-0.064	-0.064	0.000	0.000	0.000	0.000
491	A	561	ARG	1	0.656	0.814	53.263	0.074	0.074	0.000	0.000	0.000	0.000
492	A	562	GLU	-1	-0.770	-0.856	50.448	-0.109	-0.109	0.000	0.000	0.000	0.000
493	A	563	PRO	0	-0.019	-0.013	49.719	0.003	0.003	0.000	0.000	0.000	0.000
494	A	564	ALA	0	0.031	0.026	49.172	0.003	0.003	0.000	0.000	0.000	0.000
495	A	565	PHE	0	0.042	0.019	51.298	0.002	0.002	0.000	0.000	0.000	0.000
496	A	566	ALA	0	0.018	-0.007	54.587	0.003	0.003	0.000	0.000	0.000	0.000
497	A	567	ALA	0	-0.055	-0.018	52.939	0.004	0.004	0.000	0.000	0.000	0.000
498	A	568	ALA	0	0.074	0.041	54.462	0.003	0.003	0.000	0.000	0.000	0.000
499	A	569	ILE	0	-0.017	-0.005	56.110	0.003	0.003	0.000	0.000	0.000	0.000
500	A	570	ALA	0	-0.044	-0.029	57.904	0.003	0.003	0.000	0.000	0.000	0.000
501	A	571	GLU	-1	-0.968	-0.984	55.373	-0.069	-0.069	0.000	0.000	0.000	0.000
502	A	572	LEU	0	0.023	0.005	58.937	0.002	0.002	0.000	0.000	0.000	0.000
503	A	573	GLU	-1	-0.793	-0.829	61.633	-0.048	-0.048	0.000	0.000	0.000	0.000
504	A	574	PRO	0	-0.052	-0.028	62.485	0.002	0.002	0.000	0.000	0.000	0.000
505	A	575	LEU	0	0.021	0.016	60.908	0.002	0.002	0.000	0.000	0.000	0.000
506	A	576	ILE	0	0.034	0.003	64.422	0.001	0.001	0.000	0.000	0.000	0.000
507	A	577	ALA	0	-0.039	-0.004	67.402	0.002	0.002	0.000	0.000	0.000	0.000
508	A	578	ALA	0	-0.048	-0.026	68.392	0.002	0.002	0.000	0.000	0.000	0.000
509	A	579	GLU	-1	-0.773	-0.855	68.414	-0.046	-0.046	0.000	0.000	0.000	0.000
510	A	580	SER	0	-0.044	-0.028	71.093	0.001	0.001	0.000	0.000	0.000	0.000
511	A	581	ASP	-1	-0.982	-0.967	72.719	-0.037	-0.037	0.000	0.000	0.000	0.000
512	A	582	PHE	0	-0.064	-0.037	69.532	0.001	0.001	0.000	0.000	0.000	0.000
513	A	583	SER	0	-0.019	-0.030	67.699	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	584	VAL	0	0.059	0.017	64.053	0.000	0.000	0.000	0.000	0.000	0.000
515	A	585	THR	0	-0.002	-0.034	63.523	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	586	GLU	-1	-0.852	-0.872	65.534	-0.046	-0.046	0.000	0.000	0.000	0.000
517	A	587	ALA	0	0.014	0.005	68.695	0.000	0.000	0.000	0.000	0.000	0.000
518	A	588	LEU	0	-0.035	-0.010	62.485	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	589	THR	0	-0.072	-0.063	64.704	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	590	ALA	0	0.009	0.022	67.260	0.001	0.001	0.000	0.000	0.000	0.000
521	A	591	SER	0	-0.021	-0.025	70.515	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	592	GLU	-1	-0.931	-0.943	72.756	-0.044	-0.044	0.000	0.000	0.000	0.000
523	A	593	THR	0	-0.031	-0.022	71.326	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	594	VAL	0	0.041	0.035	69.582	0.002	0.002	0.000	0.000	0.000	0.000
525	A	595	THR	0	-0.001	-0.027	72.680	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	596	GLY	0	0.017	0.031	75.787	0.000	0.000	0.000	0.000	0.000	0.000
527	A	597	ILE	0	0.047	0.016	74.967	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	598	ASP	-1	-0.866	-0.946	74.528	-0.046	-0.046	0.000	0.000	0.000	0.000
529	A	599	ARG	1	0.826	0.880	71.974	0.044	0.044	0.000	0.000	0.000	0.000
530	A	600	VAL	0	-0.036	-0.001	70.391	-0.002	-0.002	0.000	0.000	0.000	0.000
531	A	601	GLN	0	0.078	0.028	68.914	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	602	PRO	0	0.059	0.020	67.013	-0.003	-0.003	0.000	0.000	0.000	0.000
533	A	603	THR	0	0.006	-0.021	65.654	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	604	ILE	0	-0.066	-0.024	64.614	-0.002	-0.002	0.000	0.000	0.000	0.000
535	A	605	PHE	0	0.032	0.015	61.491	-0.003	-0.003	0.000	0.000	0.000	0.000
536	A	606	ALA	0	0.030	0.010	61.193	-0.003	-0.003	0.000	0.000	0.000	0.000
537	A	607	VAL	0	-0.019	-0.013	59.860	-0.002	-0.002	0.000	0.000	0.000	0.000
538	A	608	GLN	0	-0.083	-0.059	58.496	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	609	VAL	0	0.061	0.028	56.315	-0.004	-0.004	0.000	0.000	0.000	0.000
540	A	610	ALA	0	-0.007	0.007	55.192	-0.004	-0.004	0.000	0.000	0.000	0.000
541	A	611	LEU	0	-0.042	-0.028	54.166	-0.004	-0.004	0.000	0.000	0.000	0.000
542	A	612	ALA	0	0.027	0.017	52.311	-0.005	-0.005	0.000	0.000	0.000	0.000
543	A	613	ALA	0	-0.012	0.002	50.634	-0.005	-0.005	0.000	0.000	0.000	0.000
544	A	614	ALA	0	-0.008	-0.006	49.443	-0.004	-0.004	0.000	0.000	0.000	0.000
545	A	615	MET	0	-0.027	0.011	48.319	-0.007	-0.007	0.000	0.000	0.000	0.000
546	A	616	ARG	1	0.875	0.940	45.779	0.111	0.111	0.000	0.000	0.000	0.000
547	A	617	SER	0	-0.098	-0.069	44.720	-0.005	-0.005	0.000	0.000	0.000	0.000
548	A	618	HIS	0	-0.014	-0.033	44.075	-0.008	-0.008	0.000	0.000	0.000	0.000
549	A	619	GLY	0	0.014	0.011	41.433	-0.007	-0.007	0.000	0.000	0.000	0.000
550	A	620	VAL	0	-0.032	-0.016	42.312	-0.008	-0.008	0.000	0.000	0.000	0.000
551	A	621	VAL	0	0.018	0.004	43.022	0.009	0.009	0.000	0.000	0.000	0.000
552	A	622	PRO	0	-0.007	-0.004	45.866	-0.005	-0.005	0.000	0.000	0.000	0.000
553	A	623	GLY	0	-0.015	-0.008	47.172	-0.004	-0.004	0.000	0.000	0.000	0.000
554	A	624	ALA	0	-0.027	-0.017	48.018	0.001	0.001	0.000	0.000	0.000	0.000
555	A	625	VAL	0	-0.032	-0.011	51.721	0.000	0.000	0.000	0.000	0.000	0.000
556	A	626	ILE	0	0.012	0.004	55.013	0.001	0.001	0.000	0.000	0.000	0.000
557	A	627	GLY	0	0.030	0.024	58.614	0.000	0.000	0.000	0.000	0.000	0.000
558	A	628	HIS	0	-0.026	-0.018	61.749	0.001	0.001	0.000	0.000	0.000	0.000
559	A	629	SER	0	0.011	-0.010	65.367	0.002	0.002	0.000	0.000	0.000	0.000
560	A	630	MET	0	0.004	0.018	65.482	0.000	0.000	0.000	0.000	0.000	0.000
561	A	631	GLY	0	0.028	0.026	63.413	0.000	0.000	0.000	0.000	0.000	0.000
562	A	632	GLU	-1	-0.729	-0.812	61.757	-0.081	-0.081	0.000	0.000	0.000	0.000
563	A	633	VAL	0	0.016	0.037	61.619	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	634	ALA	0	0.005	-0.002	59.645	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	635	ALA	0	0.010	0.006	57.433	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	636	SER	0	0.024	0.011	56.767	-0.004	-0.004	0.000	0.000	0.000	0.000
567	A	637	VAL	0	-0.023	0.002	56.415	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	638	VAL	0	-0.066	-0.034	52.654	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	639	SER	0	-0.058	-0.047	52.325	-0.004	-0.004	0.000	0.000	0.000	0.000
570	A	640	GLY	0	0.021	0.007	52.993	-0.003	-0.003	0.000	0.000	0.000	0.000
571	A	641	ALA	0	0.014	0.025	53.998	0.002	0.002	0.000	0.000	0.000	0.000
572	A	642	LEU	0	-0.012	-0.005	56.999	0.004	0.004	0.000	0.000	0.000	0.000
573	A	643	SER	0	0.006	-0.022	57.368	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	644	LEU	0	0.035	0.011	57.059	0.001	0.001	0.000	0.000	0.000	0.000
575	A	645	GLU	-1	-0.863	-0.922	59.158	-0.062	-0.062	0.000	0.000	0.000	0.000
576	A	646	ASP	-1	-0.740	-0.869	61.704	-0.058	-0.058	0.000	0.000	0.000	0.000
577	A	647	GLY	0	0.032	0.009	61.846	0.001	0.001	0.000	0.000	0.000	0.000
578	A	648	VAL	0	-0.034	-0.022	63.009	0.001	0.001	0.000	0.000	0.000	0.000
579	A	649	LYS	1	0.787	0.903	65.349	0.055	0.055	0.000	0.000	0.000	0.000
580	A	650	VAL	0	0.016	0.009	65.733	0.002	0.002	0.000	0.000	0.000	0.000
581	A	651	ILE	0	-0.062	-0.030	65.976	0.001	0.001	0.000	0.000	0.000	0.000
582	A	652	CYS	0	-0.018	-0.011	68.274	0.001	0.001	0.000	0.000	0.000	0.000
583	A	653	ARG	1	0.712	0.814	69.920	0.050	0.050	0.000	0.000	0.000	0.000
584	A	654	ARG	1	0.902	0.957	69.535	0.060	0.060	0.000	0.000	0.000	0.000
585	A	655	THR	0	0.012	0.014	72.052	0.001	0.001	0.000	0.000	0.000	0.000
586	A	656	ARG	1	0.866	0.929	74.237	0.044	0.044	0.000	0.000	0.000	0.000
587	A	657	LEU	0	-0.003	0.011	75.976	0.002	0.002	0.000	0.000	0.000	0.000
588	A	658	MET	0	-0.006	-0.007	74.674	0.000	0.000	0.000	0.000	0.000	0.000
589	A	659	THR	0	-0.031	-0.033	78.252	0.001	0.001	0.000	0.000	0.000	0.000
590	A	660	ARG	1	0.690	0.816	80.530	0.041	0.041	0.000	0.000	0.000	0.000
591	A	661	ILE	0	-0.007	-0.002	80.093	0.001	0.001	0.000	0.000	0.000	0.000
592	A	662	ALA	0	0.012	0.013	81.797	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	663	GLY	0	-0.048	-0.023	83.049	0.001	0.001	0.000	0.000	0.000	0.000
594	A	664	SER	0	-0.084	-0.037	84.434	0.001	0.001	0.000	0.000	0.000	0.000
595	A	665	GLY	0	0.046	0.016	83.725	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	666	ALA	0	-0.048	-0.016	83.184	0.001	0.001	0.000	0.000	0.000	0.000
597	A	667	MET	0	0.038	0.017	75.636	0.000	0.000	0.000	0.000	0.000	0.000
598	A	668	ALA	0	-0.007	-0.004	79.714	0.001	0.001	0.000	0.000	0.000	0.000
599	A	669	MET	0	0.010	0.035	72.537	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	670	VAL	0	-0.001	-0.010	77.476	0.002	0.002	0.000	0.000	0.000	0.000
601	A	671	GLU	-1	-0.854	-0.896	75.130	-0.067	-0.067	0.000	0.000	0.000	0.000
602	A	672	LEU	0	-0.016	-0.014	76.771	0.001	0.001	0.000	0.000	0.000	0.000
603	A	673	PRO	0	0.042	0.029	73.861	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	674	ALA	0	0.070	0.036	73.598	0.002	0.002	0.000	0.000	0.000	0.000
605	A	675	GLN	0	0.034	0.008	75.189	0.003	0.003	0.000	0.000	0.000	0.000
606	A	676	GLN	0	-0.014	-0.001	76.922	0.000	0.000	0.000	0.000	0.000	0.000
607	A	677	VAL	0	0.047	0.033	78.187	0.002	0.002	0.000	0.000	0.000	0.000
608	A	678	LEU	0	0.024	0.015	77.752	0.002	0.002	0.000	0.000	0.000	0.000
609	A	679	SER	0	-0.029	-0.028	80.583	0.002	0.002	0.000	0.000	0.000	0.000
610	A	680	GLU	-1	-0.817	-0.857	82.882	-0.052	-0.052	0.000	0.000	0.000	0.000
611	A	681	LEU	0	-0.001	0.010	81.518	0.001	0.001	0.000	0.000	0.000	0.000
612	A	682	ALA	0	0.017	0.012	84.299	0.001	0.001	0.000	0.000	0.000	0.000
613	A	683	SER	0	-0.111	-0.078	86.172	0.002	0.002	0.000	0.000	0.000	0.000
614	A	684	ARG	1	0.814	0.886	88.394	0.046	0.046	0.000	0.000	0.000	0.000
615	A	685	GLY	0	-0.050	-0.014	89.480	0.001	0.001	0.000	0.000	0.000	0.000
616	A	686	VAL	0	-0.053	-0.024	86.766	0.001	0.001	0.000	0.000	0.000	0.000
617	A	687	ASP	-1	-0.909	-0.961	85.844	-0.045	-0.045	0.000	0.000	0.000	0.000
618	A	688	ASP	-1	-0.843	-0.897	85.333	-0.044	-0.044	0.000	0.000	0.000	0.000
619	A	689	VAL	0	-0.045	-0.023	82.981	0.000	0.000	0.000	0.000	0.000	0.000
620	A	690	VAL	0	0.003	0.008	78.957	0.000	0.000	0.000	0.000	0.000	0.000
621	A	691	LEU	0	-0.016	-0.009	75.335	0.000	0.000	0.000	0.000	0.000	0.000
622	A	692	SER	0	0.008	-0.004	75.585	0.000	0.000	0.000	0.000	0.000	0.000
623	A	693	VAL	0	-0.011	-0.015	69.921	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	694	VAL	0	0.008	0.014	69.599	0.001	0.001	0.000	0.000	0.000	0.000
625	A	695	ALA	0	0.043	0.024	67.360	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	696	SER	0	-0.003	0.003	66.524	-0.003	-0.003	0.000	0.000	0.000	0.000
627	A	697	PRO	0	0.018	0.012	66.555	0.003	0.003	0.000	0.000	0.000	0.000
628	A	698	GLN	0	-0.100	-0.066	69.315	0.003	0.003	0.000	0.000	0.000	0.000
629	A	699	SER	0	-0.043	-0.034	71.836	0.002	0.002	0.000	0.000	0.000	0.000
630	A	700	THR	0	-0.007	-0.015	72.230	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	701	VAL	0	0.001	0.003	73.606	0.002	0.002	0.000	0.000	0.000	0.000
632	A	702	VAL	0	0.000	-0.002	75.995	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	703	GLY	0	0.066	0.024	79.066	0.000	0.000	0.000	0.000	0.000	0.000
634	A	704	GLY	0	0.049	0.012	80.603	0.000	0.000	0.000	0.000	0.000	0.000
635	A	705	ALA	0	0.021	0.023	83.845	0.000	0.000	0.000	0.000	0.000	0.000
636	A	706	THR	0	-0.037	-0.031	87.021	0.000	0.000	0.000	0.000	0.000	0.000
637	A	707	ALA	0	-0.047	-0.027	88.011	0.000	0.000	0.000	0.000	0.000	0.000
638	A	708	SER	0	0.014	-0.028	88.335	0.000	0.000	0.000	0.000	0.000	0.000
639	A	709	VAL	0	0.010	0.012	83.533	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	710	ARG	1	0.782	0.843	86.283	0.043	0.043	0.000	0.000	0.000	0.000
641	A	711	GLU	-1	-0.907	-0.930	88.495	-0.043	-0.043	0.000	0.000	0.000	0.000
642	A	712	LEU	0	0.033	0.010	85.114	0.000	0.000	0.000	0.000	0.000	0.000
643	A	713	ILE	0	-0.006	0.000	83.994	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	714	GLU	-1	-0.926	-0.952	86.464	-0.044	-0.044	0.000	0.000	0.000	0.000
645	A	715	MET	0	-0.081	-0.005	88.918	0.000	0.000	0.000	0.000	0.000	0.000
646	A	716	TRP	0	-0.012	-0.024	82.681	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	717	GLU	-1	-0.753	-0.884	83.845	-0.053	-0.053	0.000	0.000	0.000	0.000
648	A	718	SER	0	-0.133	-0.082	87.071	0.000	0.000	0.000	0.000	0.000	0.000
649	A	719	ARG	1	0.754	0.842	84.522	0.053	0.053	0.000	0.000	0.000	0.000
650	A	720	GLY	0	-0.042	-0.020	86.274	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	721	VAL	0	-0.077	-0.030	81.364	-0.002	-0.002	0.000	0.000	0.000	0.000
652	A	722	MET	0	-0.029	-0.006	77.273	0.001	0.001	0.000	0.000	0.000	0.000
653	A	723	ALA	0	0.009	-0.016	80.570	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	724	ARG	1	0.904	0.956	77.680	0.058	0.058	0.000	0.000	0.000	0.000
655	A	725	GLU	-1	-0.769	-0.845	80.393	-0.047	-0.047	0.000	0.000	0.000	0.000
656	A	726	ILE	0	-0.042	-0.019	75.464	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	727	ALA	0	-0.033	-0.016	79.133	0.001	0.001	0.000	0.000	0.000	0.000
658	A	728	VAL	0	0.012	-0.001	76.384	-0.002	-0.002	0.000	0.000	0.000	0.000
659	A	729	ASP	-1	-0.869	-0.929	77.287	-0.048	-0.048	0.000	0.000	0.000	0.000
660	A	730	VAL	0	0.004	-0.003	78.081	0.002	0.002	0.000	0.000	0.000	0.000
661	A	731	ALA	0	0.010	0.017	78.194	-0.002	-0.002	0.000	0.000	0.000	0.000
662	A	732	SER	0	0.022	0.006	74.134	0.001	0.001	0.000	0.000	0.000	0.000
663	A	733	HIS	0	-0.030	0.016	71.238	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	734	SER	0	-0.012	-0.005	75.926	0.000	0.000	0.000	0.000	0.000	0.000
665	A	735	PRO	0	0.047	-0.003	79.722	0.000	0.000	0.000	0.000	0.000	0.000
666	A	736	GLN	0	-0.085	-0.027	82.112	0.002	0.002	0.000	0.000	0.000	0.000
667	A	737	VAL	0	0.017	0.011	77.281	0.001	0.001	0.000	0.000	0.000	0.000
668	A	738	ASP	-1	-0.744	-0.841	80.230	-0.048	-0.048	0.000	0.000	0.000	0.000
669	A	739	PRO	0	-0.067	-0.031	81.952	0.000	0.000	0.000	0.000	0.000	0.000
670	A	740	ILE	0	-0.037	-0.021	77.997	0.001	0.001	0.000	0.000	0.000	0.000
671	A	741	LEU	0	0.021	0.024	76.402	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	742	ASP	-1	-0.888	-0.943	77.359	-0.044	-0.044	0.000	0.000	0.000	0.000
673	A	743	ASP	-1	-0.815	-0.878	78.477	-0.040	-0.040	0.000	0.000	0.000	0.000
674	A	744	LEU	0	-0.012	-0.013	72.348	0.000	0.000	0.000	0.000	0.000	0.000
675	A	745	ILE	0	0.000	0.002	73.813	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	746	GLU	-1	-0.972	-0.989	73.953	-0.039	-0.039	0.000	0.000	0.000	0.000
677	A	747	ALA	0	-0.066	-0.035	74.628	0.000	0.000	0.000	0.000	0.000	0.000
678	A	748	LEU	0	0.011	0.007	68.759	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	749	ALA	0	-0.010	0.000	69.730	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	750	ASP	-1	-0.889	-0.931	68.808	-0.049	-0.049	0.000	0.000	0.000	0.000
681	A	751	LEU	0	-0.061	-0.022	64.969	0.000	0.000	0.000	0.000	0.000	0.000
682	A	752	ASP	-1	-0.994	-0.995	61.083	-0.060	-0.060	0.000	0.000	0.000	0.000
683	A	753	PRO	0	-0.025	0.000	60.462	-0.002	-0.002	0.000	0.000	0.000	0.000
684	A	754	ALA	0	-0.040	-0.021	55.533	0.000	0.000	0.000	0.000	0.000	0.000
685	A	755	GLU	-1	-0.859	-0.921	53.667	-0.089	-0.089	0.000	0.000	0.000	0.000
686	A	756	PRO	0	-0.040	-0.006	53.701	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	757	GLU	-1	-0.892	-0.943	48.455	-0.118	-0.118	0.000	0.000	0.000	0.000
688	A	758	ILE	0	-0.089	-0.031	47.853	-0.007	-0.007	0.000	0.000	0.000	0.000
689	A	759	PRO	0	0.004	-0.002	49.288	0.005	0.005	0.000	0.000	0.000	0.000
690	A	760	TYR	0	0.019	-0.030	52.329	0.000	0.000	0.000	0.000	0.000	0.000
691	A	761	TYR	0	-0.063	-0.055	53.922	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	762	SER	0	0.013	0.007	58.851	0.002	0.002	0.000	0.000	0.000	0.000
693	A	763	ALA	0	-0.028	-0.030	62.329	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	764	THR	0	-0.044	-0.025	65.330	0.003	0.003	0.000	0.000	0.000	0.000
695	A	765	LEU	0	0.031	0.016	63.068	0.003	0.003	0.000	0.000	0.000	0.000
696	A	766	TYR	0	-0.103	-0.086	66.822	0.000	0.000	0.000	0.000	0.000	0.000
697	A	767	ASP	-1	-0.885	-0.928	62.476	-0.090	-0.090	0.000	0.000	0.000	0.000
698	A	768	PRO	0	-0.047	-0.022	61.110	0.000	0.000	0.000	0.000	0.000	0.000
699	A	769	ARG	1	0.767	0.826	56.133	0.106	0.106	0.000	0.000	0.000	0.000
700	A	770	ASP	-1	-0.941	-0.947	59.368	-0.080	-0.080	0.000	0.000	0.000	0.000
701	A	771	TYR	0	-0.127	-0.083	58.274	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	772	ALA	0	0.004	-0.007	60.600	0.003	0.003	0.000	0.000	0.000	0.000
703	A	773	ASP	-1	-0.889	-0.946	61.251	-0.070	-0.070	0.000	0.000	0.000	0.000
704	A	774	TYR	0	-0.039	-0.025	58.755	0.001	0.001	0.000	0.000	0.000	0.000
705	A	775	ASP	-1	-0.715	-0.858	63.793	-0.058	-0.058	0.000	0.000	0.000	0.000
706	A	776	ALA	0	-0.021	-0.008	66.790	0.000	0.000	0.000	0.000	0.000	0.000
707	A	777	TYR	0	-0.043	-0.035	70.387	0.001	0.001	0.000	0.000	0.000	0.000
708	A	778	TYR	0	0.003	-0.006	63.597	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	779	TRP	0	-0.005	-0.029	63.207	-0.001	-0.001	0.000	0.000	0.000	0.000
710	A	780	ALA	0	-0.022	-0.003	69.522	0.001	0.001	0.000	0.000	0.000	0.000
711	A	781	ASP	-1	-0.832	-0.922	70.928	-0.058	-0.058	0.000	0.000	0.000	0.000
712	A	782	ASN	0	-0.097	-0.050	67.185	0.001	0.001	0.000	0.000	0.000	0.000
713	A	783	LEU	0	-0.036	-0.019	70.067	0.000	0.000	0.000	0.000	0.000	0.000
714	A	784	ARG	1	0.818	0.884	73.106	0.052	0.052	0.000	0.000	0.000	0.000
715	A	785	HIS	0	-0.016	-0.020	71.702	0.001	0.001	0.000	0.000	0.000	0.000
716	A	786	THR	0	-0.071	-0.057	72.216	0.000	0.000	0.000	0.000	0.000	0.000
717	A	787	VAL	0	0.030	0.026	67.613	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	788	ARG	1	0.881	0.951	67.208	0.069	0.069	0.000	0.000	0.000	0.000
719	A	789	PHE	0	0.045	0.008	61.464	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	790	SER	0	0.011	-0.019	63.575	-0.004	-0.004	0.000	0.000	0.000	0.000
721	A	791	ALA	0	-0.010	0.004	63.488	-0.003	-0.003	0.000	0.000	0.000	0.000
722	A	792	ALA	0	0.037	0.021	61.137	-0.003	-0.003	0.000	0.000	0.000	0.000
723	A	793	VAL	0	-0.009	-0.008	59.030	-0.004	-0.004	0.000	0.000	0.000	0.000
724	A	794	GLN	0	-0.038	-0.027	58.539	-0.002	-0.002	0.000	0.000	0.000	0.000
725	A	795	ALA	0	0.003	0.009	58.503	-0.004	-0.004	0.000	0.000	0.000	0.000
726	A	796	ALA	0	0.048	0.031	54.912	-0.005	-0.005	0.000	0.000	0.000	0.000
727	A	797	LEU	0	-0.050	-0.021	53.931	-0.006	-0.006	0.000	0.000	0.000	0.000
728	A	798	GLU	-1	-0.819	-0.883	54.410	-0.108	-0.108	0.000	0.000	0.000	0.000
729	A	799	ASP	-1	-0.795	-0.829	52.102	-0.123	-0.123	0.000	0.000	0.000	0.000
730	A	800	GLY	0	-0.021	-0.015	49.983	-0.007	-0.007	0.000	0.000	0.000	0.000
731	A	801	HIS	0	-0.001	0.014	49.533	-0.009	-0.009	0.000	0.000	0.000	0.000
732	A	802	ARG	1	0.869	0.916	49.193	0.142	0.142	0.000	0.000	0.000	0.000
733	A	803	VAL	0	0.034	0.026	47.880	0.003	0.003	0.000	0.000	0.000	0.000
734	A	804	PHE	0	-0.001	-0.004	50.982	0.001	0.001	0.000	0.000	0.000	0.000
735	A	805	ALA	0	0.020	0.001	52.569	0.000	0.000	0.000	0.000	0.000	0.000
736	A	806	GLU	-1	-0.708	-0.812	54.658	-0.083	-0.083	0.000	0.000	0.000	0.000
737	A	807	LEU	0	-0.012	0.014	53.609	0.000	0.000	0.000	0.000	0.000	0.000
738	A	808	SER	0	-0.002	-0.030	57.747	0.003	0.003	0.000	0.000	0.000	0.000
739	A	809	PRO	0	0.062	0.015	60.452	-0.002	-0.002	0.000	0.000	0.000	0.000
740	A	810	HIS	0	0.012	0.009	62.732	0.001	0.001	0.000	0.000	0.000	0.000
741	A	811	PRO	0	-0.011	0.013	61.481	0.001	0.001	0.000	0.000	0.000	0.000
742	A	812	LEU	0	-0.063	-0.049	63.265	0.003	0.003	0.000	0.000	0.000	0.000
743	A	813	LEU	0	-0.067	-0.040	62.690	0.001	0.001	0.000	0.000	0.000	0.000
744	A	814	THR	0	0.050	0.030	59.427	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	815	HIS	0	-0.022	-0.024	61.528	0.000	0.000	0.000	0.000	0.000	0.000
746	A	816	PRO	0	-0.027	-0.016	64.109	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	817	VAL	0	0.063	0.039	58.105	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	818	GLU	-1	-0.782	-0.869	59.812	-0.098	-0.098	0.000	0.000	0.000	0.000
749	A	819	GLN	0	-0.048	-0.005	61.382	0.001	0.001	0.000	0.000	0.000	0.000
750	A	820	THR	0	-0.002	-0.007	61.976	0.001	0.001	0.000	0.000	0.000	0.000
751	A	821	ALA	0	0.039	0.033	58.443	0.000	0.000	0.000	0.000	0.000	0.000
752	A	822	ARG	1	0.839	0.895	60.382	0.096	0.096	0.000	0.000	0.000	0.000
753	A	823	SER	0	-0.115	-0.058	62.501	0.002	0.002	0.000	0.000	0.000	0.000
754	A	824	LEU	0	-0.036	-0.022	60.552	0.001	0.001	0.000	0.000	0.000	0.000
755	A	825	ASP	-1	-0.952	-0.970	59.858	-0.106	-0.106	0.000	0.000	0.000	0.000
756	A	826	MET	0	-0.034	-0.005	55.505	-0.007	-0.007	0.000	0.000	0.000	0.000
757	A	827	PRO	0	-0.036	-0.014	52.680	0.002	0.002	0.000	0.000	0.000	0.000
758	A	828	LEU	0	-0.025	-0.029	52.948	-0.002	-0.002	0.000	0.000	0.000	0.000
759	A	829	ALA	0	0.000	0.012	51.530	0.001	0.001	0.000	0.000	0.000	0.000
760	A	830	VAL	0	-0.028	-0.016	53.601	0.000	0.000	0.000	0.000	0.000	0.000
761	A	831	PHE	0	0.030	0.020	51.566	0.001	0.001	0.000	0.000	0.000	0.000
762	A	832	ALA	0	-0.014	-0.020	55.738	0.002	0.002	0.000	0.000	0.000	0.000
763	A	833	ALA	0	0.008	0.021	55.163	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	834	MET	0	-0.042	0.002	56.157	0.001	0.001	0.000	0.000	0.000	0.000
765	A	835	ARG	1	0.875	0.935	59.302	0.078	0.078	0.000	0.000	0.000	0.000
766	A	836	ARG	1	0.937	0.951	62.598	0.066	0.066	0.000	0.000	0.000	0.000
767	A	837	GLN	0	-0.007	-0.001	65.721	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	838	GLN	0	0.003	0.010	57.022	0.001	0.001	0.000	0.000	0.000	0.000
769	A	839	GLU	-1	-0.905	-0.945	59.812	-0.070	-0.070	0.000	0.000	0.000	0.000
770	A	840	MET	0	-0.053	-0.022	55.764	-0.003	-0.003	0.000	0.000	0.000	0.000
771	A	841	PRO	0	0.009	0.005	55.083	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	842	HIS	0	-0.013	-0.019	50.181	0.001	0.001	0.000	0.000	0.000	0.000
773	A	843	GLY	0	0.032	0.020	50.714	-0.004	-0.004	0.000	0.000	0.000	0.000
774	A	844	LEU	0	-0.030	-0.032	50.682	0.000	0.000	0.000	0.000	0.000	0.000
775	A	845	LEU	0	0.018	0.011	45.320	-0.005	-0.005	0.000	0.000	0.000	0.000
776	A	846	GLY	0	-0.002	-0.002	47.582	-0.006	-0.006	0.000	0.000	0.000	0.000
777	A	847	PHE	0	0.064	0.033	49.591	-0.004	-0.004	0.000	0.000	0.000	0.000
778	A	848	VAL	0	0.005	-0.002	44.203	-0.003	-0.003	0.000	0.000	0.000	0.000
779	A	849	ALA	0	0.000	-0.001	45.319	-0.008	-0.008	0.000	0.000	0.000	0.000
780	A	850	ASP	-1	-0.913	-0.942	46.397	-0.128	-0.128	0.000	0.000	0.000	0.000
781	A	851	LEU	0	-0.024	-0.017	47.508	-0.004	-0.004	0.000	0.000	0.000	0.000
782	A	852	HIS	0	0.003	0.017	39.379	0.002	0.002	0.000	0.000	0.000	0.000
783	A	853	SER	0	-0.040	-0.039	43.862	-0.009	-0.009	0.000	0.000	0.000	0.000
784	A	854	ALA	0	-0.019	-0.025	45.919	-0.002	-0.002	0.000	0.000	0.000	0.000
785	A	855	GLY	0	0.006	0.003	43.508	0.000	0.000	0.000	0.000	0.000	0.000
786	A	856	ALA	0	-0.018	-0.009	43.497	-0.005	-0.005	0.000	0.000	0.000	0.000
787	A	857	ALA	0	-0.013	-0.010	40.910	-0.005	-0.005	0.000	0.000	0.000	0.000
788	A	858	VAL	0	-0.001	-0.007	40.541	0.011	0.011	0.000	0.000	0.000	0.000
789	A	859	ASP	-1	-0.808	-0.867	36.217	-0.224	-0.224	0.000	0.000	0.000	0.000
790	A	860	PHE	0	0.035	-0.010	36.532	0.009	0.009	0.000	0.000	0.000	0.000
791	A	861	SER	0	-0.154	-0.097	33.776	0.001	0.001	0.000	0.000	0.000	0.000
792	A	862	VAL	0	0.019	0.004	35.417	0.005	0.005	0.000	0.000	0.000	0.000
793	A	863	LEU	0	-0.021	0.006	38.772	0.008	0.008	0.000	0.000	0.000	0.000
794	A	864	TYR	0	-0.065	-0.047	35.287	0.009	0.009	0.000	0.000	0.000	0.000
795	A	865	PRO	0	0.048	0.034	34.011	-0.019	-0.019	0.000	0.000	0.000	0.000
796	A	866	THR	0	-0.059	-0.036	30.148	-0.014	-0.014	0.000	0.000	0.000	0.000
797	A	867	GLY	0	0.025	0.009	30.012	0.018	0.018	0.000	0.000	0.000	0.000
798	A	868	ARG	1	0.744	0.836	27.738	0.177	0.177	0.000	0.000	0.000	0.000
799	A	869	LEU	0	0.014	0.020	24.052	0.014	0.014	0.000	0.000	0.000	0.000
800	A	870	LEU	0	-0.019	-0.002	27.141	-0.008	-0.008	0.000	0.000	0.000	0.000
801	A	871	ASP	-1	-0.839	-0.908	26.406	-0.410	-0.410	0.000	0.000	0.000	0.000
802	A	872	ALA	0	-0.014	-0.009	29.190	0.012	0.012	0.000	0.000	0.000	0.000
803	A	873	PRO	0	-0.022	-0.014	32.147	-0.019	-0.019	0.000	0.000	0.000	0.000
804	A	874	LEU	0	-0.015	0.009	29.174	0.002	0.002	0.000	0.000	0.000	0.000
805	A	875	PRO	0	0.005	-0.005	33.634	0.011	0.011	0.000	0.000	0.000	0.000
806	A	876	ALA	0	-0.035	-0.002	36.362	-0.010	-0.010	0.000	0.000	0.000	0.000
807	A	877	TRP	0	-0.034	-0.031	32.906	0.002	0.002	0.000	0.000	0.000	0.000
808	A	878	THR	0	-0.040	-0.037	39.393	0.015	0.015	0.000	0.000	0.000	0.000
809	A	879	HIS	0	-0.105	-0.067	37.487	0.009	0.009	0.000	0.000	0.000	0.000
810	A	880	SER	0	-0.009	-0.014	42.564	0.008	0.008	0.000	0.000	0.000	0.000
811	A	881	THR	0	-0.033	-0.038	43.536	-0.007	-0.007	0.000	0.000	0.000	0.000
812	A	882	LEU	0	-0.057	-0.012	43.208	0.008	0.008	0.000	0.000	0.000	0.000
813	A	883	LEU	0	0.030	0.001	42.894	-0.011	-0.011	0.000	0.000	0.000	0.000
814	A	884	LEU	0	0.006	0.016	45.345	0.007	0.007	0.000	0.000	0.000	0.000
815	A	885	ASP	-1	-0.860	-0.933	47.564	-0.146	-0.146	0.000	0.000	0.000	0.000
816	A	886	ARG	1	0.832	0.909	50.404	0.128	0.128	0.000	0.000	0.000	0.000
817	A	887	GLU	-1	-0.999	-0.986	46.403	-0.170	-0.170	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:4:ASN)