FMO DATABASE

FMODB ID: JL3K9

Calculation Name: 3GB8-A-Xray372

Preferred Name: GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1

Target Type: PROTEIN COMPLEX

Ligand Name:

ligand 3-letter code:

PDB ID: 3GB8

Chain ID: A

ChEMBL ID: CHEMBL3885569

UniProt ID: O95149

Base Structure: X-ray

Registration Date: 2023-06-21

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	971
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27754403.752477
FMO2-HF: Nuclear repulsion	27357158.165693
FMO2-HF: Total energy	-397245.586784
FMO2-MP2: Total energy	-398390.979764

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:53:LEU)

Summations of interaction energy for fragment #1(A:53:LEU)

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.
-11.553	-9.153	8.977	-5.441	-5.936	-0.036

Interaction energy analysis for fragmet #1(A:53:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.019 / q_NPA : 0.019

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	55	GLU	-1	-0.833	-0.939	1.973	-12.129	-11.268	8.502	-4.811	-4.552	-0.035
4	A	56	HIS	0	0.015	-0.002	2.647	-0.120	1.419	0.475	-0.630	-1.384	-0.001
5	A	57	PRO	0	-0.015	0.015	6.136	0.577	0.577	0.000	0.000	0.000	0.000
6	A	58	ASP	-1	-0.820	-0.925	9.388	-0.663	-0.663	0.000	0.000	0.000	0.000
7	A	59	ALA	0	0.032	0.024	10.960	0.146	0.146	0.000	0.000	0.000	0.000
8	A	60	TRP	0	-0.037	-0.028	10.830	0.064	0.064	0.000	0.000	0.000	0.000
9	A	61	THR	0	-0.017	-0.019	9.417	0.036	0.036	0.000	0.000	0.000	0.000
10	A	62	ARG	1	0.832	0.908	12.514	0.514	0.514	0.000	0.000	0.000	0.000
11	A	63	VAL	0	-0.027	-0.018	15.199	0.060	0.060	0.000	0.000	0.000	0.000
12	A	64	ASP	-1	-0.758	-0.862	10.581	-1.073	-1.073	0.000	0.000	0.000	0.000
13	A	65	THR	0	0.001	-0.007	12.494	0.061	0.061	0.000	0.000	0.000	0.000
14	A	66	ILE	0	-0.016	-0.001	14.362	0.062	0.062	0.000	0.000	0.000	0.000
15	A	67	LEU	0	0.014	0.011	16.843	0.051	0.051	0.000	0.000	0.000	0.000
16	A	68	GLU	-1	-0.809	-0.886	10.842	-0.940	-0.940	0.000	0.000	0.000	0.000
17	A	69	PHE	0	-0.009	-0.014	15.372	0.040	0.040	0.000	0.000	0.000	0.000
18	A	70	SER	0	-0.050	-0.029	16.771	0.051	0.051	0.000	0.000	0.000	0.000
19	A	71	GLN	0	-0.062	-0.035	17.499	0.005	0.005	0.000	0.000	0.000	0.000
20	A	72	ASN	0	0.000	0.020	13.017	0.045	0.045	0.000	0.000	0.000	0.000
21	A	73	MET	0	0.048	0.032	13.218	0.046	0.046	0.000	0.000	0.000	0.000
22	A	74	ASN	0	0.006	-0.019	16.128	-0.049	-0.049	0.000	0.000	0.000	0.000
23	A	75	THR	0	0.038	-0.016	10.682	0.033	0.033	0.000	0.000	0.000	0.000
24	A	76	LYS	1	0.866	0.969	11.325	0.034	0.034	0.000	0.000	0.000	0.000
25	A	77	TYR	0	0.011	-0.010	12.046	-0.052	-0.052	0.000	0.000	0.000	0.000
26	A	78	TYR	0	0.033	0.030	4.864	0.078	0.078	0.000	0.000	0.000	0.000
27	A	79	GLY	0	0.057	0.037	8.948	-0.203	-0.203	0.000	0.000	0.000	0.000
28	A	80	LEU	0	-0.055	-0.036	11.200	-0.001	-0.001	0.000	0.000	0.000	0.000
29	A	81	GLN	0	0.005	0.015	5.955	0.328	0.328	0.000	0.000	0.000	0.000
30	A	82	ILE	0	0.014	0.004	6.395	-0.052	-0.052	0.000	0.000	0.000	0.000
31	A	83	LEU	0	-0.030	-0.015	9.768	0.080	0.080	0.000	0.000	0.000	0.000
32	A	84	GLU	-1	-0.751	-0.863	13.039	-0.269	-0.269	0.000	0.000	0.000	0.000
33	A	85	ASN	0	-0.013	0.006	9.919	0.122	0.122	0.000	0.000	0.000	0.000
34	A	86	VAL	0	0.020	0.019	11.623	0.104	0.104	0.000	0.000	0.000	0.000
35	A	87	ILE	0	-0.085	-0.044	13.724	0.077	0.077	0.000	0.000	0.000	0.000
36	A	88	LYS	1	0.852	0.903	15.270	0.238	0.238	0.000	0.000	0.000	0.000
37	A	89	THR	0	-0.003	0.008	13.107	0.051	0.051	0.000	0.000	0.000	0.000
38	A	90	ARG	1	0.794	0.902	14.366	0.623	0.623	0.000	0.000	0.000	0.000
39	A	91	TRP	0	0.060	0.013	18.200	0.004	0.004	0.000	0.000	0.000	0.000
40	A	92	LYS	1	0.807	0.915	21.442	0.138	0.138	0.000	0.000	0.000	0.000
41	A	93	ILE	0	0.047	0.044	23.242	0.013	0.013	0.000	0.000	0.000	0.000
42	A	94	LEU	0	-0.046	-0.019	20.378	0.004	0.004	0.000	0.000	0.000	0.000
43	A	95	PRO	0	-0.010	0.004	24.269	-0.005	-0.005	0.000	0.000	0.000	0.000
44	A	96	ARG	1	0.851	0.835	25.687	0.171	0.171	0.000	0.000	0.000	0.000
45	A	97	ASN	0	0.003	0.004	26.426	-0.021	-0.021	0.000	0.000	0.000	0.000
46	A	98	GLN	0	0.032	0.021	21.542	-0.028	-0.028	0.000	0.000	0.000	0.000
47	A	99	CYS	0	0.024	0.046	22.172	-0.005	-0.005	0.000	0.000	0.000	0.000
48	A	100	GLU	-1	-0.807	-0.898	23.277	-0.159	-0.159	0.000	0.000	0.000	0.000
49	A	101	GLY	0	0.020	0.024	24.530	0.013	0.013	0.000	0.000	0.000	0.000
50	A	102	ILE	0	0.016	0.003	18.669	0.006	0.006	0.000	0.000	0.000	0.000
51	A	103	LYS	1	0.801	0.889	22.234	0.173	0.173	0.000	0.000	0.000	0.000
52	A	104	LYS	1	0.832	0.912	25.168	0.181	0.181	0.000	0.000	0.000	0.000
53	A	105	TYR	0	0.030	0.020	18.545	0.003	0.003	0.000	0.000	0.000	0.000
54	A	106	VAL	0	0.029	0.008	20.230	0.006	0.006	0.000	0.000	0.000	0.000
55	A	107	VAL	0	0.020	0.007	22.838	0.013	0.013	0.000	0.000	0.000	0.000
56	A	108	GLY	0	0.028	0.014	26.459	0.013	0.013	0.000	0.000	0.000	0.000
57	A	109	LEU	0	-0.032	-0.017	19.980	0.013	0.013	0.000	0.000	0.000	0.000
58	A	110	ILE	0	-0.005	0.017	23.844	0.012	0.012	0.000	0.000	0.000	0.000
59	A	111	ILE	0	0.003	0.006	25.912	0.012	0.012	0.000	0.000	0.000	0.000
60	A	112	LYS	1	0.914	0.964	23.702	0.168	0.168	0.000	0.000	0.000	0.000
61	A	113	THR	0	-0.065	-0.056	24.303	0.005	0.005	0.000	0.000	0.000	0.000
62	A	114	SER	0	-0.018	-0.010	27.364	0.006	0.006	0.000	0.000	0.000	0.000
63	A	115	SER	0	0.051	-0.005	30.006	0.006	0.006	0.000	0.000	0.000	0.000
64	A	116	ASP	-1	-0.866	-0.918	32.576	-0.077	-0.077	0.000	0.000	0.000	0.000
65	A	117	PRO	0	-0.038	-0.024	28.715	0.005	0.005	0.000	0.000	0.000	0.000
66	A	118	THR	0	-0.018	-0.003	31.541	0.008	0.008	0.000	0.000	0.000	0.000
67	A	119	CYS	0	-0.043	-0.017	33.821	0.003	0.003	0.000	0.000	0.000	0.000
68	A	120	VAL	0	0.049	0.039	27.862	0.005	0.005	0.000	0.000	0.000	0.000
69	A	121	GLU	-1	-0.891	-0.919	30.016	-0.016	-0.016	0.000	0.000	0.000	0.000
70	A	122	LYS	1	0.833	0.877	25.875	0.023	0.023	0.000	0.000	0.000	0.000
71	A	123	GLU	-1	-0.804	-0.898	23.917	-0.066	-0.066	0.000	0.000	0.000	0.000
72	A	124	LYS	1	0.861	0.918	23.680	0.047	0.047	0.000	0.000	0.000	0.000
73	A	125	VAL	0	0.022	0.018	19.290	-0.007	-0.007	0.000	0.000	0.000	0.000
74	A	126	TYR	0	0.021	-0.001	18.880	-0.012	-0.012	0.000	0.000	0.000	0.000
75	A	127	ILE	0	-0.013	0.007	20.340	-0.021	-0.021	0.000	0.000	0.000	0.000
76	A	128	GLY	0	0.016	0.013	22.895	-0.009	-0.009	0.000	0.000	0.000	0.000
77	A	129	LYS	1	0.810	0.883	14.081	0.259	0.259	0.000	0.000	0.000	0.000
78	A	130	LEU	0	0.004	-0.008	18.975	-0.024	-0.024	0.000	0.000	0.000	0.000
79	A	131	ASN	0	0.009	-0.018	20.496	-0.016	-0.016	0.000	0.000	0.000	0.000
80	A	132	MET	0	0.034	0.029	19.195	0.003	0.003	0.000	0.000	0.000	0.000
81	A	133	ILE	0	-0.004	0.005	16.573	-0.007	-0.007	0.000	0.000	0.000	0.000
82	A	134	LEU	0	-0.025	-0.012	19.508	-0.006	-0.006	0.000	0.000	0.000	0.000
83	A	135	VAL	0	0.014	0.002	23.110	0.005	0.005	0.000	0.000	0.000	0.000
84	A	136	GLN	0	-0.032	-0.033	17.046	-0.020	-0.020	0.000	0.000	0.000	0.000
85	A	137	ILE	0	-0.020	-0.007	20.635	0.000	0.000	0.000	0.000	0.000	0.000
86	A	138	LEU	0	-0.026	-0.003	22.720	0.010	0.010	0.000	0.000	0.000	0.000
87	A	139	LYS	1	0.805	0.899	22.435	0.130	0.130	0.000	0.000	0.000	0.000
88	A	140	GLN	0	-0.046	-0.020	20.426	-0.009	-0.009	0.000	0.000	0.000	0.000
89	A	141	GLU	-1	-0.770	-0.854	25.321	-0.175	-0.175	0.000	0.000	0.000	0.000
90	A	142	TRP	0	-0.030	0.004	27.991	0.009	0.009	0.000	0.000	0.000	0.000
91	A	143	PRO	0	0.072	0.016	30.745	0.001	0.001	0.000	0.000	0.000	0.000
92	A	144	LYS	1	0.921	0.942	30.613	0.126	0.126	0.000	0.000	0.000	0.000
93	A	145	HIS	0	0.014	0.005	30.424	0.001	0.001	0.000	0.000	0.000	0.000
94	A	146	TRP	0	-0.046	-0.030	26.876	-0.015	-0.015	0.000	0.000	0.000	0.000
95	A	147	PRO	0	0.039	0.028	32.435	0.002	0.002	0.000	0.000	0.000	0.000
96	A	148	THR	0	-0.040	-0.047	34.880	0.003	0.003	0.000	0.000	0.000	0.000
97	A	149	PHE	0	0.021	0.027	29.849	0.004	0.004	0.000	0.000	0.000	0.000
98	A	150	ILE	0	-0.006	-0.003	33.930	0.001	0.001	0.000	0.000	0.000	0.000
99	A	151	SER	0	0.069	0.035	36.432	0.006	0.006	0.000	0.000	0.000	0.000
100	A	152	ASP	-1	-0.869	-0.927	34.500	-0.101	-0.101	0.000	0.000	0.000	0.000
101	A	153	ILE	0	-0.037	-0.014	31.431	0.002	0.002	0.000	0.000	0.000	0.000
102	A	154	VAL	0	0.011	0.029	34.999	0.004	0.004	0.000	0.000	0.000	0.000
103	A	155	GLY	0	0.009	0.010	38.639	0.004	0.004	0.000	0.000	0.000	0.000
104	A	156	ALA	0	-0.023	-0.009	34.807	0.002	0.002	0.000	0.000	0.000	0.000
105	A	157	SER	0	0.004	-0.034	36.094	0.005	0.005	0.000	0.000	0.000	0.000
106	A	158	ARG	1	0.850	0.934	37.429	0.053	0.053	0.000	0.000	0.000	0.000
107	A	159	THR	0	-0.004	-0.001	39.972	0.005	0.005	0.000	0.000	0.000	0.000
108	A	160	SER	0	0.006	0.003	36.504	0.002	0.002	0.000	0.000	0.000	0.000
109	A	161	GLU	-1	-0.744	-0.846	37.515	-0.043	-0.043	0.000	0.000	0.000	0.000
110	A	162	SER	0	-0.022	-0.004	34.231	0.002	0.002	0.000	0.000	0.000	0.000
111	A	163	LEU	0	-0.021	0.011	32.017	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	164	CYS	0	0.011	0.011	33.279	-0.003	-0.003	0.000	0.000	0.000	0.000
113	A	165	GLN	0	-0.063	-0.019	32.916	0.003	0.003	0.000	0.000	0.000	0.000
114	A	166	ASN	0	0.031	0.011	26.943	0.006	0.006	0.000	0.000	0.000	0.000
115	A	167	ASN	0	-0.007	-0.018	30.216	-0.001	-0.001	0.000	0.000	0.000	0.000
116	A	168	MET	0	0.032	0.030	32.243	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	169	VAL	0	-0.008	0.006	27.785	0.001	0.001	0.000	0.000	0.000	0.000
118	A	170	ILE	0	-0.029	-0.014	26.781	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	171	LEU	0	0.009	0.001	28.859	-0.003	-0.003	0.000	0.000	0.000	0.000
120	A	172	LYS	1	0.847	0.916	29.977	0.044	0.044	0.000	0.000	0.000	0.000
121	A	173	LEU	0	0.010	0.011	24.661	0.001	0.001	0.000	0.000	0.000	0.000
122	A	174	LEU	0	-0.008	-0.004	27.672	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	175	SER	0	-0.001	-0.020	28.814	0.003	0.003	0.000	0.000	0.000	0.000
124	A	176	GLU	-1	-0.840	-0.899	28.510	-0.040	-0.040	0.000	0.000	0.000	0.000
125	A	177	GLU	-1	-0.829	-0.905	23.262	-0.106	-0.106	0.000	0.000	0.000	0.000
126	A	178	VAL	0	-0.070	-0.026	27.795	-0.003	-0.003	0.000	0.000	0.000	0.000
127	A	179	PHE	0	-0.005	0.016	29.039	0.009	0.009	0.000	0.000	0.000	0.000
128	A	187	THR	0	0.071	0.032	35.855	-0.002	-0.002	0.000	0.000	0.000	0.000
129	A	188	GLN	0	0.010	0.024	37.833	-0.003	-0.003	0.000	0.000	0.000	0.000
130	A	189	VAL	0	0.096	0.041	41.191	-0.002	-0.002	0.000	0.000	0.000	0.000
131	A	190	LYS	1	0.920	0.963	32.590	0.067	0.067	0.000	0.000	0.000	0.000
132	A	191	SER	0	-0.004	-0.021	37.588	-0.003	-0.003	0.000	0.000	0.000	0.000
133	A	192	LYS	1	0.869	0.911	38.848	0.034	0.034	0.000	0.000	0.000	0.000
134	A	193	HIS	0	0.039	0.018	38.601	0.002	0.002	0.000	0.000	0.000	0.000
135	A	194	LEU	0	-0.005	0.014	34.795	-0.002	-0.002	0.000	0.000	0.000	0.000
136	A	195	LYS	1	0.800	0.888	39.027	0.034	0.034	0.000	0.000	0.000	0.000
137	A	196	ASP	-1	-0.846	-0.891	41.640	-0.039	-0.039	0.000	0.000	0.000	0.000
138	A	197	SER	0	-0.079	-0.066	40.199	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	198	MET	0	-0.019	-0.001	34.545	-0.003	-0.003	0.000	0.000	0.000	0.000
140	A	199	CYS	0	0.042	0.028	40.238	0.001	0.001	0.000	0.000	0.000	0.000
141	A	200	ASN	0	0.001	0.011	42.425	0.004	0.004	0.000	0.000	0.000	0.000
142	A	201	GLU	-1	-0.856	-0.931	37.614	-0.068	-0.068	0.000	0.000	0.000	0.000
143	A	202	PHE	0	0.048	0.012	36.611	0.000	0.000	0.000	0.000	0.000	0.000
144	A	203	SER	0	-0.044	-0.039	40.649	0.004	0.004	0.000	0.000	0.000	0.000
145	A	204	GLN	0	-0.022	-0.029	40.684	0.000	0.000	0.000	0.000	0.000	0.000
146	A	205	ILE	0	0.020	0.021	36.440	0.001	0.001	0.000	0.000	0.000	0.000
147	A	206	PHE	0	0.016	0.015	40.091	0.002	0.002	0.000	0.000	0.000	0.000
148	A	207	GLN	0	-0.012	-0.011	43.392	0.000	0.000	0.000	0.000	0.000	0.000
149	A	208	LEU	0	-0.006	0.007	38.035	0.002	0.002	0.000	0.000	0.000	0.000
150	A	209	CYS	0	-0.020	-0.019	40.597	0.002	0.002	0.000	0.000	0.000	0.000
151	A	210	GLN	0	-0.004	-0.012	42.650	0.003	0.003	0.000	0.000	0.000	0.000
152	A	211	PHE	0	0.022	0.008	44.292	0.002	0.002	0.000	0.000	0.000	0.000
153	A	212	VAL	0	0.039	0.019	40.781	0.001	0.001	0.000	0.000	0.000	0.000
154	A	213	MET	0	-0.029	-0.011	44.173	0.003	0.003	0.000	0.000	0.000	0.000
155	A	214	GLU	-1	-0.872	-0.931	46.332	-0.024	-0.024	0.000	0.000	0.000	0.000
156	A	215	ASN	0	-0.088	-0.041	47.244	0.002	0.002	0.000	0.000	0.000	0.000
157	A	216	SER	0	-0.040	-0.031	43.095	0.001	0.001	0.000	0.000	0.000	0.000
158	A	217	GLN	0	0.002	-0.011	45.539	0.003	0.003	0.000	0.000	0.000	0.000
159	A	218	ASN	0	-0.041	-0.018	38.990	0.004	0.004	0.000	0.000	0.000	0.000
160	A	219	ALA	0	0.036	0.011	41.416	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	220	PRO	0	0.021	0.000	36.563	0.000	0.000	0.000	0.000	0.000	0.000
162	A	221	LEU	0	0.029	0.033	37.398	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	222	VAL	0	0.026	0.018	38.464	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	223	HIS	1	0.775	0.873	37.599	0.021	0.021	0.000	0.000	0.000	0.000
165	A	224	ALA	0	0.045	0.026	34.660	0.000	0.000	0.000	0.000	0.000	0.000
166	A	225	THR	0	-0.006	-0.016	36.418	-0.004	-0.004	0.000	0.000	0.000	0.000
167	A	226	LEU	0	-0.008	0.000	39.085	0.000	0.000	0.000	0.000	0.000	0.000
168	A	227	GLU	-1	-0.833	-0.907	34.921	-0.025	-0.025	0.000	0.000	0.000	0.000
169	A	228	THR	0	-0.027	-0.027	35.671	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	229	LEU	0	-0.004	-0.015	36.994	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	230	LEU	0	0.005	-0.014	38.488	0.000	0.000	0.000	0.000	0.000	0.000
172	A	231	ARG	1	0.815	0.897	32.857	0.044	0.044	0.000	0.000	0.000	0.000
173	A	232	PHE	0	0.014	-0.004	34.086	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	233	LEU	0	-0.012	0.008	38.972	0.000	0.000	0.000	0.000	0.000	0.000
175	A	234	ASN	0	0.014	-0.003	40.374	0.001	0.001	0.000	0.000	0.000	0.000
176	A	235	TRP	0	-0.031	0.005	36.082	0.000	0.000	0.000	0.000	0.000	0.000
177	A	236	ILE	0	-0.032	0.001	41.144	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	237	PRO	0	0.019	-0.001	43.765	0.003	0.003	0.000	0.000	0.000	0.000
179	A	238	LEU	0	0.040	0.020	47.228	0.001	0.001	0.000	0.000	0.000	0.000
180	A	239	GLY	0	0.101	0.053	49.997	0.001	0.001	0.000	0.000	0.000	0.000
181	A	240	TYR	0	-0.057	-0.032	46.401	0.001	0.001	0.000	0.000	0.000	0.000
182	A	241	ILE	0	0.020	0.025	46.570	0.000	0.000	0.000	0.000	0.000	0.000
183	A	242	PHE	0	-0.017	-0.020	49.997	0.001	0.001	0.000	0.000	0.000	0.000
184	A	243	GLU	-1	-0.886	-0.921	53.777	-0.025	-0.025	0.000	0.000	0.000	0.000
185	A	244	THR	0	-0.042	-0.017	50.699	0.000	0.000	0.000	0.000	0.000	0.000
186	A	245	LYS	1	0.949	0.971	53.699	0.020	0.020	0.000	0.000	0.000	0.000
187	A	246	LEU	0	0.048	0.049	47.138	0.001	0.001	0.000	0.000	0.000	0.000
188	A	247	ILE	0	0.045	0.028	51.194	0.001	0.001	0.000	0.000	0.000	0.000
189	A	248	SER	0	0.001	-0.006	52.533	0.001	0.001	0.000	0.000	0.000	0.000
190	A	249	THR	0	-0.052	-0.036	50.505	0.001	0.001	0.000	0.000	0.000	0.000
191	A	250	LEU	0	-0.007	-0.004	46.224	0.000	0.000	0.000	0.000	0.000	0.000
192	A	251	ILE	0	0.014	0.005	49.824	0.001	0.001	0.000	0.000	0.000	0.000
193	A	252	TYR	0	0.024	-0.004	52.417	0.000	0.000	0.000	0.000	0.000	0.000
194	A	253	LYS	1	0.790	0.893	49.655	0.026	0.026	0.000	0.000	0.000	0.000
195	A	254	PHE	0	-0.022	-0.015	46.588	0.000	0.000	0.000	0.000	0.000	0.000
196	A	255	LEU	0	0.020	0.005	48.208	0.001	0.001	0.000	0.000	0.000	0.000
197	A	256	ASN	0	-0.002	0.011	49.876	0.003	0.003	0.000	0.000	0.000	0.000
198	A	257	VAL	0	0.016	0.020	47.810	0.001	0.001	0.000	0.000	0.000	0.000
199	A	258	PRO	0	0.036	0.013	47.534	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	259	MET	0	0.013	0.011	42.518	0.000	0.000	0.000	0.000	0.000	0.000
201	A	260	PHE	0	0.024	0.004	42.076	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	261	ARG	1	0.812	0.919	44.390	0.001	0.001	0.000	0.000	0.000	0.000
203	A	262	ASN	0	-0.008	-0.021	42.073	0.000	0.000	0.000	0.000	0.000	0.000
204	A	263	VAL	0	-0.017	0.003	39.823	0.000	0.000	0.000	0.000	0.000	0.000
205	A	264	SER	0	0.029	-0.011	42.278	-0.002	-0.002	0.000	0.000	0.000	0.000
206	A	265	LEU	0	0.009	0.005	45.665	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	266	LYS	1	0.957	1.000	38.772	0.008	0.008	0.000	0.000	0.000	0.000
208	A	267	CYS	0	-0.040	-0.004	43.078	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	268	LEU	0	-0.010	-0.011	44.769	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	269	THR	0	0.036	0.010	44.857	0.001	0.001	0.000	0.000	0.000	0.000
211	A	270	GLU	-1	-0.907	-0.938	41.475	-0.021	-0.021	0.000	0.000	0.000	0.000
212	A	271	ILE	0	-0.048	-0.028	45.310	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	272	ALA	0	-0.034	-0.029	48.439	0.000	0.000	0.000	0.000	0.000	0.000
214	A	273	GLY	0	0.047	0.026	47.338	0.001	0.001	0.000	0.000	0.000	0.000
215	A	274	VAL	0	-0.062	-0.012	47.643	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	275	SER	0	-0.031	-0.051	49.490	0.001	0.001	0.000	0.000	0.000	0.000
217	A	276	VAL	0	-0.061	-0.032	51.763	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	277	SER	0	0.011	0.006	54.370	0.001	0.001	0.000	0.000	0.000	0.000
219	A	278	GLN	0	0.020	0.009	54.609	0.002	0.002	0.000	0.000	0.000	0.000
220	A	279	TYR	0	-0.017	-0.045	53.469	0.000	0.000	0.000	0.000	0.000	0.000
221	A	280	GLU	-1	-0.787	-0.865	58.006	-0.011	-0.011	0.000	0.000	0.000	0.000
222	A	281	GLU	-1	-0.781	-0.895	60.249	-0.011	-0.011	0.000	0.000	0.000	0.000
223	A	282	GLN	0	-0.033	-0.001	56.489	0.000	0.000	0.000	0.000	0.000	0.000
224	A	283	PHE	0	0.028	0.018	52.485	0.000	0.000	0.000	0.000	0.000	0.000
225	A	284	VAL	0	0.022	0.011	57.103	0.001	0.001	0.000	0.000	0.000	0.000
226	A	285	THR	0	-0.050	-0.029	58.022	0.001	0.001	0.000	0.000	0.000	0.000
227	A	286	LEU	0	-0.004	0.000	51.612	0.000	0.000	0.000	0.000	0.000	0.000
228	A	287	PHE	0	0.009	0.020	55.462	0.001	0.001	0.000	0.000	0.000	0.000
229	A	288	THR	0	-0.003	-0.022	57.246	0.001	0.001	0.000	0.000	0.000	0.000
230	A	289	LEU	0	-0.018	-0.012	57.132	0.001	0.001	0.000	0.000	0.000	0.000
231	A	290	THR	0	0.027	0.000	52.395	0.000	0.000	0.000	0.000	0.000	0.000
232	A	291	MET	0	-0.001	0.006	55.247	0.001	0.001	0.000	0.000	0.000	0.000
233	A	292	MET	0	-0.108	-0.040	57.807	0.001	0.001	0.000	0.000	0.000	0.000
234	A	293	GLN	0	-0.006	-0.035	54.614	0.000	0.000	0.000	0.000	0.000	0.000
235	A	294	LEU	0	0.004	0.004	51.790	0.001	0.001	0.000	0.000	0.000	0.000
236	A	295	LYS	1	0.817	0.892	55.290	0.005	0.005	0.000	0.000	0.000	0.000
237	A	296	GLN	0	-0.029	0.000	57.188	0.000	0.000	0.000	0.000	0.000	0.000
238	A	297	MET	0	-0.063	-0.023	51.705	0.000	0.000	0.000	0.000	0.000	0.000
239	A	298	LEU	0	-0.008	0.000	51.278	0.001	0.001	0.000	0.000	0.000	0.000
240	A	299	PRO	0	0.037	0.056	55.697	0.000	0.000	0.000	0.000	0.000	0.000
241	A	300	LEU	0	0.040	0.016	59.342	0.001	0.001	0.000	0.000	0.000	0.000
242	A	301	ASN	0	-0.009	0.000	61.059	0.000	0.000	0.000	0.000	0.000	0.000
243	A	302	THR	0	-0.047	-0.030	55.787	0.001	0.001	0.000	0.000	0.000	0.000
244	A	303	ASN	0	-0.012	-0.021	57.318	0.001	0.001	0.000	0.000	0.000	0.000
245	A	304	ILE	0	0.040	0.006	52.647	0.001	0.001	0.000	0.000	0.000	0.000
246	A	305	ARG	1	0.892	0.943	52.725	-0.016	-0.016	0.000	0.000	0.000	0.000
247	A	306	LEU	0	-0.012	-0.004	52.377	0.001	0.001	0.000	0.000	0.000	0.000
248	A	307	ALA	0	-0.035	-0.025	52.426	0.001	0.001	0.000	0.000	0.000	0.000
249	A	308	TYR	0	-0.008	-0.010	43.656	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	309	SER	0	-0.001	-0.012	47.928	0.000	0.000	0.000	0.000	0.000	0.000
251	A	310	ASN	0	-0.043	-0.010	48.424	0.002	0.002	0.000	0.000	0.000	0.000
252	A	311	GLY	0	-0.006	0.019	48.068	0.000	0.000	0.000	0.000	0.000	0.000
253	A	312	LYS	1	0.824	0.883	43.152	-0.007	-0.007	0.000	0.000	0.000	0.000
254	A	313	ASP	-1	-0.814	-0.913	39.049	0.017	0.017	0.000	0.000	0.000	0.000
255	A	314	ASP	-1	-0.857	-0.899	41.727	-0.002	-0.002	0.000	0.000	0.000	0.000
256	A	315	GLU	-1	-0.757	-0.864	43.379	0.006	0.006	0.000	0.000	0.000	0.000
257	A	316	GLN	0	0.006	0.014	43.658	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	317	ASN	0	-0.043	-0.040	39.624	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	318	PHE	0	-0.013	0.001	43.537	-0.002	-0.002	0.000	0.000	0.000	0.000
260	A	319	ILE	0	0.025	0.013	46.744	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	320	GLN	0	0.015	0.022	41.187	0.000	0.000	0.000	0.000	0.000	0.000
262	A	321	ASN	0	-0.016	-0.031	42.680	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	322	LEU	0	-0.014	0.007	46.279	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	323	SER	0	0.028	-0.008	49.098	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	324	LEU	0	0.009	0.011	43.339	0.000	0.000	0.000	0.000	0.000	0.000
266	A	325	PHE	0	-0.010	-0.009	47.842	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	326	LEU	0	-0.035	-0.014	50.014	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	327	CYS	0	-0.019	0.005	49.869	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	328	THR	0	-0.019	-0.019	47.730	0.000	0.000	0.000	0.000	0.000	0.000
270	A	329	PHE	0	-0.003	-0.011	50.238	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	330	LEU	0	-0.064	-0.034	53.290	0.000	0.000	0.000	0.000	0.000	0.000
272	A	331	LYS	1	0.837	0.896	48.162	0.003	0.003	0.000	0.000	0.000	0.000
273	A	332	GLU	-1	-0.836	-0.866	51.617	-0.012	-0.012	0.000	0.000	0.000	0.000
274	A	333	HIS	1	0.801	0.895	52.649	0.012	0.012	0.000	0.000	0.000	0.000
275	A	334	ASP	-1	-0.742	-0.859	57.353	-0.005	-0.005	0.000	0.000	0.000	0.000
276	A	335	GLN	0	0.022	0.002	59.796	0.000	0.000	0.000	0.000	0.000	0.000
277	A	336	LEU	0	-0.040	-0.001	58.934	0.000	0.000	0.000	0.000	0.000	0.000
278	A	337	ILE	0	0.009	-0.008	60.148	0.000	0.000	0.000	0.000	0.000	0.000
279	A	338	GLU	-1	-0.783	-0.831	63.515	-0.004	-0.004	0.000	0.000	0.000	0.000
280	A	339	LYS	1	0.877	0.930	64.950	0.008	0.008	0.000	0.000	0.000	0.000
281	A	340	ARG	1	0.755	0.868	64.682	0.010	0.010	0.000	0.000	0.000	0.000
282	A	341	LEU	0	0.030	0.011	67.890	0.000	0.000	0.000	0.000	0.000	0.000
283	A	342	ASN	0	-0.033	-0.031	69.352	0.000	0.000	0.000	0.000	0.000	0.000
284	A	343	LEU	0	0.001	0.003	63.681	0.000	0.000	0.000	0.000	0.000	0.000
285	A	344	ARG	1	0.885	0.943	65.789	0.004	0.004	0.000	0.000	0.000	0.000
286	A	345	GLU	-1	-0.863	-0.921	66.850	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	346	THR	0	-0.020	-0.029	62.380	0.000	0.000	0.000	0.000	0.000	0.000
288	A	347	LEU	0	0.016	0.005	61.460	0.000	0.000	0.000	0.000	0.000	0.000
289	A	348	MET	0	-0.002	-0.001	62.359	0.001	0.001	0.000	0.000	0.000	0.000
290	A	349	GLU	-1	-0.807	-0.875	61.618	-0.002	-0.002	0.000	0.000	0.000	0.000
291	A	350	ALA	0	0.021	0.011	58.187	0.001	0.001	0.000	0.000	0.000	0.000
292	A	351	LEU	0	0.016	0.002	58.259	0.001	0.001	0.000	0.000	0.000	0.000
293	A	352	HIS	0	-0.025	-0.019	59.899	0.001	0.001	0.000	0.000	0.000	0.000
294	A	353	TYR	0	0.022	-0.019	55.921	0.001	0.001	0.000	0.000	0.000	0.000
295	A	354	MET	0	0.005	0.023	52.359	0.001	0.001	0.000	0.000	0.000	0.000
296	A	355	LEU	0	-0.052	-0.009	55.922	0.001	0.001	0.000	0.000	0.000	0.000
297	A	356	LEU	0	-0.017	-0.006	57.122	0.001	0.001	0.000	0.000	0.000	0.000
298	A	357	VAL	0	0.006	-0.011	50.853	0.001	0.001	0.000	0.000	0.000	0.000
299	A	358	SER	0	-0.022	-0.022	52.861	0.001	0.001	0.000	0.000	0.000	0.000
300	A	359	GLU	-1	-0.889	-0.934	54.842	0.011	0.011	0.000	0.000	0.000	0.000
301	A	360	VAL	0	-0.043	-0.012	48.933	0.001	0.001	0.000	0.000	0.000	0.000
302	A	361	GLU	-1	-0.851	-0.896	49.743	0.020	0.020	0.000	0.000	0.000	0.000
303	A	362	GLU	-1	-0.863	-0.946	45.355	0.020	0.020	0.000	0.000	0.000	0.000
304	A	363	THR	0	0.007	0.002	45.210	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	364	GLU	-1	-0.909	-0.963	41.199	0.021	0.021	0.000	0.000	0.000	0.000
306	A	365	ILE	0	0.026	0.008	44.425	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	366	PHE	0	-0.004	-0.010	47.179	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	367	LYS	1	0.837	0.895	42.716	-0.020	-0.020	0.000	0.000	0.000	0.000
309	A	368	ILE	0	0.025	0.017	45.430	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	369	CYS	0	-0.017	-0.006	48.345	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	370	LEU	0	-0.006	-0.004	50.812	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	371	GLU	-1	-0.809	-0.889	48.372	-0.002	-0.002	0.000	0.000	0.000	0.000
313	A	372	TYR	0	0.042	0.009	51.300	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	373	TRP	0	-0.037	-0.035	53.992	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	374	ASN	0	0.013	0.002	53.419	0.000	0.000	0.000	0.000	0.000	0.000
316	A	375	HIS	0	-0.045	-0.019	54.286	0.000	0.000	0.000	0.000	0.000	0.000
317	A	376	LEU	0	0.002	0.004	56.091	0.000	0.000	0.000	0.000	0.000	0.000
318	A	377	ALA	0	-0.024	-0.018	59.296	0.000	0.000	0.000	0.000	0.000	0.000
319	A	378	ALA	0	0.037	0.013	58.009	0.000	0.000	0.000	0.000	0.000	0.000
320	A	379	GLU	-1	-0.807	-0.874	58.886	-0.004	-0.004	0.000	0.000	0.000	0.000
321	A	380	LEU	0	-0.023	-0.013	61.364	0.000	0.000	0.000	0.000	0.000	0.000
322	A	381	TYR	0	-0.023	-0.003	62.837	0.000	0.000	0.000	0.000	0.000	0.000
323	A	382	ARG	1	0.864	0.898	57.460	0.002	0.002	0.000	0.000	0.000	0.000
324	A	383	GLU	-1	-0.829	-0.899	64.318	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	384	SER	0	-0.044	0.004	67.258	0.000	0.000	0.000	0.000	0.000	0.000
326	A	385	PRO	0	-0.004	0.006	67.364	0.000	0.000	0.000	0.000	0.000	0.000
327	A	386	PHE	0	-0.004	-0.020	68.778	0.001	0.001	0.000	0.000	0.000	0.000
328	A	387	SER	0	0.004	0.010	71.765	0.000	0.000	0.000	0.000	0.000	0.000
329	A	402	VAL	0	-0.029	-0.024	73.188	0.000	0.000	0.000	0.000	0.000	0.000
330	A	403	PRO	0	0.009	0.021	70.943	0.000	0.000	0.000	0.000	0.000	0.000
331	A	404	PRO	0	0.006	-0.001	70.578	0.000	0.000	0.000	0.000	0.000	0.000
332	A	405	ARG	1	0.792	0.843	61.216	0.004	0.004	0.000	0.000	0.000	0.000
333	A	406	ARG	1	0.868	0.912	67.789	-0.001	-0.001	0.000	0.000	0.000	0.000
334	A	407	GLN	0	-0.041	-0.028	68.778	0.001	0.001	0.000	0.000	0.000	0.000
335	A	408	LEU	0	-0.048	-0.020	67.046	0.000	0.000	0.000	0.000	0.000	0.000
336	A	409	TYR	0	0.029	-0.025	62.467	0.000	0.000	0.000	0.000	0.000	0.000
337	A	410	LEU	0	-0.004	0.004	67.087	0.001	0.001	0.000	0.000	0.000	0.000
338	A	411	PRO	0	-0.037	-0.025	69.067	0.001	0.001	0.000	0.000	0.000	0.000
339	A	412	MET	0	-0.037	0.000	61.773	0.000	0.000	0.000	0.000	0.000	0.000
340	A	413	LEU	0	0.051	0.016	64.077	0.001	0.001	0.000	0.000	0.000	0.000
341	A	414	PHE	0	0.012	0.014	65.175	0.001	0.001	0.000	0.000	0.000	0.000
342	A	415	LYS	1	0.941	0.972	63.512	-0.005	-0.005	0.000	0.000	0.000	0.000
343	A	416	VAL	0	0.037	0.029	59.538	0.001	0.001	0.000	0.000	0.000	0.000
344	A	417	ARG	1	0.845	0.913	61.350	-0.004	-0.004	0.000	0.000	0.000	0.000
345	A	418	LEU	0	0.012	0.004	63.077	0.001	0.001	0.000	0.000	0.000	0.000
346	A	419	LEU	0	-0.018	0.022	56.510	0.001	0.001	0.000	0.000	0.000	0.000
347	A	420	MET	0	-0.055	-0.015	56.022	0.001	0.001	0.000	0.000	0.000	0.000
348	A	421	VAL	0	-0.011	-0.021	59.121	0.001	0.001	0.000	0.000	0.000	0.000
349	A	422	SER	0	-0.089	-0.064	60.548	0.001	0.001	0.000	0.000	0.000	0.000
350	A	423	ARG	1	0.819	0.893	51.515	-0.014	-0.014	0.000	0.000	0.000	0.000
351	A	424	MET	0	-0.064	-0.013	54.917	0.000	0.000	0.000	0.000	0.000	0.000
352	A	425	ALA	0	0.038	0.007	51.151	0.001	0.001	0.000	0.000	0.000	0.000
353	A	426	LYS	1	0.827	0.894	51.263	-0.028	-0.028	0.000	0.000	0.000	0.000
354	A	427	PRO	0	-0.006	-0.010	52.053	0.000	0.000	0.000	0.000	0.000	0.000
355	A	428	GLU	-1	-0.846	-0.892	50.590	0.021	0.021	0.000	0.000	0.000	0.000
356	A	429	GLU	-1	-0.852	-0.910	52.431	0.026	0.026	0.000	0.000	0.000	0.000
357	A	447	ASP	-1	-0.824	-0.911	41.475	0.034	0.034	0.000	0.000	0.000	0.000
358	A	448	THR	0	-0.019	-0.031	41.794	-0.003	-0.003	0.000	0.000	0.000	0.000
359	A	449	ASP	-1	-0.825	-0.885	41.568	0.019	0.019	0.000	0.000	0.000	0.000
360	A	450	SER	0	0.027	0.009	43.690	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	451	ILE	0	0.013	0.007	46.566	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	452	ASN	0	0.031	0.009	44.641	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	453	LEU	0	-0.014	0.014	47.607	-0.002	-0.002	0.000	0.000	0.000	0.000
364	A	454	TYR	0	0.050	0.025	49.274	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	455	LYS	1	0.829	0.902	49.610	-0.019	-0.019	0.000	0.000	0.000	0.000
366	A	456	ASN	0	-0.013	-0.019	49.180	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	457	MET	0	-0.018	0.012	52.951	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	458	ARG	1	0.874	0.932	55.278	-0.013	-0.013	0.000	0.000	0.000	0.000
369	A	459	GLU	-1	-0.755	-0.835	54.557	0.005	0.005	0.000	0.000	0.000	0.000
370	A	460	THR	0	0.020	-0.011	56.394	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	461	LEU	0	0.000	0.004	58.548	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	462	VAL	0	0.013	0.013	60.817	0.000	0.000	0.000	0.000	0.000	0.000
373	A	463	TYR	0	-0.041	-0.029	57.045	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	464	LEU	0	0.000	-0.014	61.420	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	465	THR	0	-0.025	-0.009	64.631	0.000	0.000	0.000	0.000	0.000	0.000
376	A	466	HIS	0	-0.023	-0.019	65.163	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	467	LEU	0	-0.051	-0.015	64.975	0.000	0.000	0.000	0.000	0.000	0.000
378	A	468	ASP	-1	-0.909	-0.972	68.818	0.004	0.004	0.000	0.000	0.000	0.000
379	A	469	TYR	0	0.006	-0.003	69.863	0.000	0.000	0.000	0.000	0.000	0.000
380	A	470	VAL	0	0.013	0.017	71.161	0.001	0.001	0.000	0.000	0.000	0.000
381	A	471	ASP	-1	-0.752	-0.868	69.679	0.006	0.006	0.000	0.000	0.000	0.000
382	A	472	THR	0	-0.005	-0.016	66.722	0.000	0.000	0.000	0.000	0.000	0.000
383	A	473	GLU	-1	-0.813	-0.867	68.929	0.008	0.008	0.000	0.000	0.000	0.000
384	A	474	ARG	1	0.759	0.882	70.366	-0.007	-0.007	0.000	0.000	0.000	0.000
385	A	475	ILE	0	-0.006	-0.003	66.140	0.001	0.001	0.000	0.000	0.000	0.000
386	A	476	MET	0	-0.008	0.002	64.454	0.001	0.001	0.000	0.000	0.000	0.000
387	A	477	THR	0	-0.008	-0.018	68.545	0.001	0.001	0.000	0.000	0.000	0.000
388	A	478	GLU	-1	-0.898	-0.938	70.750	0.009	0.009	0.000	0.000	0.000	0.000
389	A	479	LYS	1	0.832	0.901	64.395	-0.012	-0.012	0.000	0.000	0.000	0.000
390	A	480	LEU	0	-0.005	0.000	68.467	0.001	0.001	0.000	0.000	0.000	0.000
391	A	481	HIS	0	0.051	0.017	70.018	0.001	0.001	0.000	0.000	0.000	0.000
392	A	482	ASN	0	0.013	-0.006	68.673	0.000	0.000	0.000	0.000	0.000	0.000
393	A	483	GLN	0	-0.030	-0.011	65.377	0.001	0.001	0.000	0.000	0.000	0.000
394	A	484	VAL	0	0.011	0.000	69.304	0.001	0.001	0.000	0.000	0.000	0.000
395	A	485	ASN	0	-0.032	-0.019	72.465	0.000	0.000	0.000	0.000	0.000	0.000
396	A	486	GLY	0	-0.037	-0.011	70.122	0.000	0.000	0.000	0.000	0.000	0.000
397	A	487	THR	0	-0.004	-0.016	68.783	0.001	0.001	0.000	0.000	0.000	0.000
398	A	488	GLU	-1	-0.779	-0.860	64.818	0.013	0.013	0.000	0.000	0.000	0.000
399	A	489	TRP	0	-0.016	0.008	64.921	0.000	0.000	0.000	0.000	0.000	0.000
400	A	490	SER	0	0.007	-0.003	61.175	0.001	0.001	0.000	0.000	0.000	0.000
401	A	491	TRP	0	0.028	0.000	59.243	0.000	0.000	0.000	0.000	0.000	0.000
402	A	492	LYS	1	0.987	1.013	53.961	-0.022	-0.022	0.000	0.000	0.000	0.000
403	A	493	ASN	0	-0.016	-0.001	58.529	0.000	0.000	0.000	0.000	0.000	0.000
404	A	494	LEU	0	0.035	0.022	61.285	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	495	ASN	0	0.057	0.038	57.704	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	496	THR	0	-0.047	-0.022	57.650	0.000	0.000	0.000	0.000	0.000	0.000
407	A	497	LEU	0	0.011	0.016	59.323	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	498	CYS	0	-0.048	-0.026	62.779	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	499	TRP	0	0.011	-0.016	54.853	0.000	0.000	0.000	0.000	0.000	0.000
410	A	500	ALA	0	0.029	0.021	60.170	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	501	ILE	0	0.032	0.015	61.489	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	502	GLY	0	-0.042	-0.010	62.896	-0.001	-0.001	0.000	0.000	0.000	0.000
413	A	503	SER	0	-0.094	-0.057	59.393	0.000	0.000	0.000	0.000	0.000	0.000
414	A	504	ILE	0	0.035	0.010	61.156	0.000	0.000	0.000	0.000	0.000	0.000
415	A	505	SER	0	-0.039	-0.035	63.917	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	506	GLY	0	0.043	-0.001	65.332	0.000	0.000	0.000	0.000	0.000	0.000
417	A	507	ALA	0	-0.045	-0.011	65.398	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	508	MET	0	0.003	0.011	67.411	0.000	0.000	0.000	0.000	0.000	0.000
419	A	509	HIS	0	0.004	-0.003	71.183	0.000	0.000	0.000	0.000	0.000	0.000
420	A	510	GLU	-1	-0.824	-0.903	74.049	0.008	0.008	0.000	0.000	0.000	0.000
421	A	511	GLU	-1	-0.799	-0.885	75.763	0.008	0.008	0.000	0.000	0.000	0.000
422	A	512	ASP	-1	-0.764	-0.849	74.748	0.006	0.006	0.000	0.000	0.000	0.000
423	A	513	GLU	-1	-0.775	-0.894	70.560	0.010	0.010	0.000	0.000	0.000	0.000
424	A	514	LYS	1	0.787	0.872	73.580	-0.007	-0.007	0.000	0.000	0.000	0.000
425	A	515	ARG	1	0.717	0.803	76.235	-0.007	-0.007	0.000	0.000	0.000	0.000
426	A	516	PHE	0	0.056	0.027	68.857	0.000	0.000	0.000	0.000	0.000	0.000
427	A	517	LEU	0	0.013	0.006	69.914	0.001	0.001	0.000	0.000	0.000	0.000
428	A	518	VAL	0	-0.026	-0.014	73.706	0.001	0.001	0.000	0.000	0.000	0.000
429	A	519	THR	0	0.015	0.017	75.848	0.000	0.000	0.000	0.000	0.000	0.000
430	A	520	VAL	0	0.078	0.037	69.684	0.001	0.001	0.000	0.000	0.000	0.000
431	A	521	ILE	0	-0.005	-0.010	70.951	0.001	0.001	0.000	0.000	0.000	0.000
432	A	522	LYS	1	0.854	0.934	73.737	-0.010	-0.010	0.000	0.000	0.000	0.000
433	A	523	ASP	-1	-0.861	-0.929	74.024	0.012	0.012	0.000	0.000	0.000	0.000
434	A	524	LEU	0	-0.004	-0.010	68.284	0.001	0.001	0.000	0.000	0.000	0.000
435	A	525	LEU	0	-0.006	-0.002	72.083	0.001	0.001	0.000	0.000	0.000	0.000
436	A	526	GLY	0	0.006	0.005	74.595	0.000	0.000	0.000	0.000	0.000	0.000
437	A	527	LEU	0	-0.039	-0.015	68.795	0.000	0.000	0.000	0.000	0.000	0.000
438	A	528	CYS	0	-0.020	-0.015	71.510	0.001	0.001	0.000	0.000	0.000	0.000
439	A	529	GLU	-1	-0.863	-0.927	72.479	0.017	0.017	0.000	0.000	0.000	0.000
440	A	530	GLN	0	-0.045	-0.003	73.710	0.001	0.001	0.000	0.000	0.000	0.000
441	A	531	LYS	1	0.774	0.884	69.382	-0.016	-0.016	0.000	0.000	0.000	0.000
442	A	532	ARG	1	0.972	0.976	72.178	-0.017	-0.017	0.000	0.000	0.000	0.000
443	A	533	GLY	0	0.005	0.007	68.949	0.000	0.000	0.000	0.000	0.000	0.000
444	A	534	LYS	1	0.890	0.913	67.967	-0.024	-0.024	0.000	0.000	0.000	0.000
445	A	535	ASP	-1	-0.821	-0.887	63.355	0.026	0.026	0.000	0.000	0.000	0.000
446	A	536	ASN	0	-0.001	-0.001	64.883	0.000	0.000	0.000	0.000	0.000	0.000
447	A	537	LYS	1	0.843	0.923	66.703	-0.018	-0.018	0.000	0.000	0.000	0.000
448	A	538	ALA	0	0.043	0.027	64.666	0.000	0.000	0.000	0.000	0.000	0.000
449	A	539	ILE	0	0.010	0.023	60.269	0.000	0.000	0.000	0.000	0.000	0.000
450	A	540	ILE	0	-0.014	-0.002	63.996	0.000	0.000	0.000	0.000	0.000	0.000
451	A	541	ALA	0	0.018	0.009	67.008	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	542	SER	0	0.014	-0.031	62.189	0.000	0.000	0.000	0.000	0.000	0.000
453	A	543	ASN	0	-0.043	-0.040	62.193	0.000	0.000	0.000	0.000	0.000	0.000
454	A	544	ILE	0	-0.026	-0.011	64.549	-0.001	-0.001	0.000	0.000	0.000	0.000
455	A	545	MET	0	-0.026	-0.007	65.702	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	546	TYR	0	0.015	0.007	58.920	0.000	0.000	0.000	0.000	0.000	0.000
457	A	547	ILE	0	0.001	-0.004	63.590	-0.001	-0.001	0.000	0.000	0.000	0.000
458	A	548	VAL	0	0.015	0.003	65.945	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	549	GLY	0	0.010	0.011	64.645	0.000	0.000	0.000	0.000	0.000	0.000
460	A	550	GLN	0	-0.041	-0.010	60.135	0.001	0.001	0.000	0.000	0.000	0.000
461	A	551	TYR	0	-0.024	0.006	64.475	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	552	PRO	0	0.001	-0.021	66.288	0.000	0.000	0.000	0.000	0.000	0.000
463	A	553	ARG	1	0.718	0.845	69.282	-0.008	-0.008	0.000	0.000	0.000	0.000
464	A	554	PHE	0	0.079	0.041	71.646	0.000	0.000	0.000	0.000	0.000	0.000
465	A	555	LEU	0	-0.012	0.000	69.705	0.000	0.000	0.000	0.000	0.000	0.000
466	A	556	ARG	1	0.854	0.915	68.058	-0.011	-0.011	0.000	0.000	0.000	0.000
467	A	557	ALA	0	-0.011	0.011	74.979	0.000	0.000	0.000	0.000	0.000	0.000
468	A	558	HIS	0	-0.064	-0.031	76.791	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	559	TRP	0	0.045	0.005	76.451	0.000	0.000	0.000	0.000	0.000	0.000
470	A	560	LYS	1	1.002	0.996	78.663	-0.011	-0.011	0.000	0.000	0.000	0.000
471	A	561	PHE	0	-0.005	0.015	73.169	0.000	0.000	0.000	0.000	0.000	0.000
472	A	562	LEU	0	0.046	0.023	72.479	0.001	0.001	0.000	0.000	0.000	0.000
473	A	563	LYS	1	0.785	0.869	74.735	-0.012	-0.012	0.000	0.000	0.000	0.000
474	A	564	THR	0	-0.056	-0.041	76.654	0.000	0.000	0.000	0.000	0.000	0.000
475	A	565	VAL	0	-0.021	-0.009	71.016	0.001	0.001	0.000	0.000	0.000	0.000
476	A	566	VAL	0	0.000	0.001	71.158	0.001	0.001	0.000	0.000	0.000	0.000
477	A	567	ASN	0	0.042	0.013	72.609	0.001	0.001	0.000	0.000	0.000	0.000
478	A	568	LYS	1	0.791	0.878	72.788	-0.017	-0.017	0.000	0.000	0.000	0.000
479	A	569	LEU	0	-0.034	-0.001	67.118	0.001	0.001	0.000	0.000	0.000	0.000
480	A	570	PHE	0	0.054	-0.008	69.618	0.001	0.001	0.000	0.000	0.000	0.000
481	A	571	GLU	-1	-0.850	-0.886	71.703	0.018	0.018	0.000	0.000	0.000	0.000
482	A	572	PHE	0	0.005	-0.027	68.036	0.001	0.001	0.000	0.000	0.000	0.000
483	A	573	MET	0	-0.024	0.005	66.404	0.001	0.001	0.000	0.000	0.000	0.000
484	A	574	HIS	1	0.790	0.893	67.868	-0.021	-0.021	0.000	0.000	0.000	0.000
485	A	575	GLU	-1	-0.817	-0.893	67.899	0.023	0.023	0.000	0.000	0.000	0.000
486	A	576	THR	0	0.021	0.002	66.045	0.000	0.000	0.000	0.000	0.000	0.000
487	A	577	HIS	0	-0.089	-0.055	63.340	0.000	0.000	0.000	0.000	0.000	0.000
488	A	578	ASP	-1	-0.957	-0.991	58.549	0.032	0.032	0.000	0.000	0.000	0.000
489	A	579	GLY	0	0.130	0.082	59.550	0.001	0.001	0.000	0.000	0.000	0.000
490	A	580	VAL	0	-0.085	-0.041	60.457	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	581	GLN	0	-0.008	-0.021	62.916	0.000	0.000	0.000	0.000	0.000	0.000
492	A	582	ASP	-1	-0.807	-0.883	58.325	0.030	0.030	0.000	0.000	0.000	0.000
493	A	583	MET	0	-0.024	0.021	60.741	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	584	ALA	0	0.014	0.015	61.771	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	585	CYS	0	-0.027	-0.016	61.879	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	586	ASP	-1	-0.871	-0.949	57.791	0.026	0.026	0.000	0.000	0.000	0.000
497	A	587	THR	0	-0.080	-0.056	61.216	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	588	PHE	0	0.009	0.003	64.201	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	589	ILE	0	0.020	0.006	60.031	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	590	LYS	1	0.828	0.921	59.876	-0.020	-0.020	0.000	0.000	0.000	0.000
501	A	591	ILE	0	0.014	-0.001	63.472	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	592	ALA	0	0.018	0.016	66.450	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	593	GLN	0	-0.030	-0.013	59.653	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	594	LYS	1	0.902	0.969	61.713	-0.017	-0.017	0.000	0.000	0.000	0.000
505	A	595	CYS	0	-0.034	-0.010	66.636	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	596	ARG	1	0.874	0.937	63.360	-0.016	-0.016	0.000	0.000	0.000	0.000
507	A	597	ARG	1	1.002	0.994	70.485	-0.011	-0.011	0.000	0.000	0.000	0.000
508	A	598	HIS	0	0.009	0.006	74.119	0.000	0.000	0.000	0.000	0.000	0.000
509	A	599	PHE	0	0.006	0.002	71.189	0.000	0.000	0.000	0.000	0.000	0.000
510	A	600	VAL	0	-0.012	0.005	73.538	0.000	0.000	0.000	0.000	0.000	0.000
511	A	601	GLN	0	-0.021	-0.034	76.135	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	602	VAL	0	0.027	0.029	78.411	0.000	0.000	0.000	0.000	0.000	0.000
513	A	603	GLN	0	-0.027	-0.007	80.744	0.000	0.000	0.000	0.000	0.000	0.000
514	A	604	VAL	0	-0.005	0.002	79.660	0.000	0.000	0.000	0.000	0.000	0.000
515	A	605	GLY	0	0.010	-0.007	83.002	0.000	0.000	0.000	0.000	0.000	0.000
516	A	606	GLU	-1	-0.872	-0.911	82.887	0.012	0.012	0.000	0.000	0.000	0.000
517	A	607	VAL	0	0.020	0.007	86.543	0.000	0.000	0.000	0.000	0.000	0.000
518	A	608	MET	0	0.022	0.013	83.530	0.000	0.000	0.000	0.000	0.000	0.000
519	A	609	PRO	0	0.003	0.037	79.514	0.000	0.000	0.000	0.000	0.000	0.000
520	A	610	PHE	0	0.048	0.002	74.928	0.000	0.000	0.000	0.000	0.000	0.000
521	A	611	ILE	0	0.011	0.001	73.031	0.000	0.000	0.000	0.000	0.000	0.000
522	A	612	ASP	-1	-0.774	-0.879	76.314	0.014	0.014	0.000	0.000	0.000	0.000
523	A	613	GLU	-1	-0.869	-0.914	79.027	0.014	0.014	0.000	0.000	0.000	0.000
524	A	614	ILE	0	-0.014	0.000	72.573	0.001	0.001	0.000	0.000	0.000	0.000
525	A	615	LEU	0	-0.003	-0.008	72.551	0.001	0.001	0.000	0.000	0.000	0.000
526	A	616	ASN	0	-0.031	-0.012	75.649	0.001	0.001	0.000	0.000	0.000	0.000
527	A	617	ASN	0	-0.052	-0.029	77.105	0.000	0.000	0.000	0.000	0.000	0.000
528	A	618	ILE	0	0.017	0.020	69.976	0.001	0.001	0.000	0.000	0.000	0.000
529	A	619	ASN	0	0.027	0.002	72.090	0.001	0.001	0.000	0.000	0.000	0.000
530	A	620	THR	0	0.005	-0.008	72.562	0.001	0.001	0.000	0.000	0.000	0.000
531	A	621	ILE	0	-0.036	-0.010	70.273	0.000	0.000	0.000	0.000	0.000	0.000
532	A	622	ILE	0	-0.015	-0.019	67.568	0.000	0.000	0.000	0.000	0.000	0.000
533	A	623	CYS	0	-0.069	-0.030	67.984	0.001	0.001	0.000	0.000	0.000	0.000
534	A	624	ASP	-1	-0.817	-0.868	68.080	0.024	0.024	0.000	0.000	0.000	0.000
535	A	625	LEU	0	-0.019	0.012	64.062	0.001	0.001	0.000	0.000	0.000	0.000
536	A	626	GLN	0	0.009	0.003	56.681	0.000	0.000	0.000	0.000	0.000	0.000
537	A	627	PRO	0	0.017	-0.022	58.519	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	628	GLN	0	0.014	0.013	54.355	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	629	GLN	0	0.052	0.013	57.969	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	630	VAL	0	0.026	0.020	60.995	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	631	HIS	0	0.009	0.001	57.834	-0.002	-0.002	0.000	0.000	0.000	0.000
542	A	632	THR	0	0.017	0.014	58.801	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	633	PHE	0	0.029	0.018	61.116	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	634	TYR	0	0.027	-0.016	63.938	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	635	GLU	-1	-0.769	-0.811	58.687	0.023	0.023	0.000	0.000	0.000	0.000
546	A	636	ALA	0	-0.031	-0.006	63.110	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	637	VAL	0	0.044	0.002	65.369	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	638	GLY	0	0.046	0.029	65.822	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	639	TYR	0	-0.070	-0.069	59.750	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	640	MET	0	-0.093	-0.030	66.541	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	641	ILE	0	0.048	0.023	70.092	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	642	GLY	0	0.040	0.025	68.299	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	643	ALA	0	-0.118	-0.053	69.366	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	644	GLN	0	-0.035	-0.007	71.637	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	645	THR	0	0.014	-0.002	74.423	0.000	0.000	0.000	0.000	0.000	0.000
556	A	646	ASP	-1	-0.839	-0.894	76.252	0.010	0.010	0.000	0.000	0.000	0.000
557	A	647	GLN	0	-0.014	-0.029	74.798	0.000	0.000	0.000	0.000	0.000	0.000
558	A	648	THR	0	0.001	-0.004	76.811	0.000	0.000	0.000	0.000	0.000	0.000
559	A	649	VAL	0	-0.004	-0.005	78.900	0.001	0.001	0.000	0.000	0.000	0.000
560	A	650	GLN	0	-0.054	-0.043	71.701	0.000	0.000	0.000	0.000	0.000	0.000
561	A	651	GLU	-1	-0.845	-0.918	74.522	0.014	0.014	0.000	0.000	0.000	0.000
562	A	652	HIS	0	-0.003	-0.013	75.557	0.001	0.001	0.000	0.000	0.000	0.000
563	A	653	LEU	0	-0.080	-0.033	74.366	0.000	0.000	0.000	0.000	0.000	0.000
564	A	654	ILE	0	-0.020	-0.018	70.146	0.001	0.001	0.000	0.000	0.000	0.000
565	A	655	GLU	-1	-0.927	-0.959	72.164	0.016	0.016	0.000	0.000	0.000	0.000
566	A	656	LYS	1	0.803	0.885	74.253	-0.014	-0.014	0.000	0.000	0.000	0.000
567	A	657	TYR	0	-0.054	-0.059	66.046	0.001	0.001	0.000	0.000	0.000	0.000
568	A	658	MET	0	-0.016	0.006	66.689	0.001	0.001	0.000	0.000	0.000	0.000
569	A	659	LEU	0	0.020	0.021	70.504	0.001	0.001	0.000	0.000	0.000	0.000
570	A	660	LEU	0	0.021	0.011	70.323	0.000	0.000	0.000	0.000	0.000	0.000
571	A	661	PRO	0	0.007	-0.004	66.367	0.001	0.001	0.000	0.000	0.000	0.000
572	A	662	ASN	0	0.031	0.012	68.306	0.001	0.001	0.000	0.000	0.000	0.000
573	A	663	GLN	0	0.014	0.008	70.583	0.000	0.000	0.000	0.000	0.000	0.000
574	A	664	VAL	0	-0.003	0.005	67.184	0.000	0.000	0.000	0.000	0.000	0.000
575	A	665	TRP	0	0.009	-0.001	62.853	0.001	0.001	0.000	0.000	0.000	0.000
576	A	666	ASP	-1	-0.725	-0.843	68.484	0.021	0.021	0.000	0.000	0.000	0.000
577	A	667	SER	0	-0.048	-0.007	71.129	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	668	ILE	0	-0.021	-0.013	65.322	0.000	0.000	0.000	0.000	0.000	0.000
579	A	669	ILE	0	0.035	0.025	66.726	0.000	0.000	0.000	0.000	0.000	0.000
580	A	670	GLN	0	-0.018	-0.005	69.826	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	671	GLN	0	-0.027	-0.017	69.407	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	672	ALA	0	0.008	-0.004	67.341	0.000	0.000	0.000	0.000	0.000	0.000
583	A	673	THR	0	-0.044	-0.025	69.063	0.000	0.000	0.000	0.000	0.000	0.000
584	A	674	LYS	1	0.881	0.943	72.152	-0.022	-0.022	0.000	0.000	0.000	0.000
585	A	675	ASN	0	-0.044	-0.036	68.465	0.000	0.000	0.000	0.000	0.000	0.000
586	A	676	VAL	0	0.106	0.061	64.360	0.001	0.001	0.000	0.000	0.000	0.000
587	A	677	ASP	-1	-0.831	-0.903	64.251	0.032	0.032	0.000	0.000	0.000	0.000
588	A	678	ILE	0	-0.023	-0.001	64.151	0.001	0.001	0.000	0.000	0.000	0.000
589	A	679	LEU	0	-0.026	-0.018	61.875	0.001	0.001	0.000	0.000	0.000	0.000
590	A	680	LYS	1	0.852	0.905	59.751	-0.032	-0.032	0.000	0.000	0.000	0.000
591	A	681	ASP	-1	-0.811	-0.872	59.938	0.035	0.035	0.000	0.000	0.000	0.000
592	A	682	PRO	0	-0.004	-0.017	57.598	0.000	0.000	0.000	0.000	0.000	0.000
593	A	683	GLU	-1	-0.782	-0.868	59.224	0.038	0.038	0.000	0.000	0.000	0.000
594	A	684	THR	0	-0.021	-0.015	61.815	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	685	VAL	0	-0.026	-0.004	56.798	0.000	0.000	0.000	0.000	0.000	0.000
596	A	686	LYS	1	0.778	0.865	56.860	-0.039	-0.039	0.000	0.000	0.000	0.000
597	A	687	GLN	0	-0.015	-0.008	58.984	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	688	LEU	0	0.030	0.025	60.638	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	689	GLY	0	0.017	0.009	57.336	0.000	0.000	0.000	0.000	0.000	0.000
600	A	690	SER	0	-0.075	-0.060	57.816	0.000	0.000	0.000	0.000	0.000	0.000
601	A	691	ILE	0	0.051	0.021	59.633	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	692	LEU	0	0.021	0.020	58.425	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	693	LYS	1	0.832	0.915	52.947	-0.038	-0.038	0.000	0.000	0.000	0.000
604	A	694	THR	0	0.027	0.015	58.433	0.000	0.000	0.000	0.000	0.000	0.000
605	A	695	ASN	0	-0.002	-0.001	61.847	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	696	VAL	0	-0.001	0.003	55.800	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	697	ARG	1	0.806	0.883	57.268	-0.029	-0.029	0.000	0.000	0.000	0.000
608	A	698	ALA	0	0.039	0.023	59.856	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	699	CYS	0	-0.029	0.004	60.995	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	700	LYS	1	0.832	0.897	56.046	-0.026	-0.026	0.000	0.000	0.000	0.000
611	A	701	ALA	0	-0.029	-0.021	60.028	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	702	VAL	0	-0.026	-0.006	62.916	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	703	GLY	0	0.011	0.006	63.625	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	704	HIS	0	0.071	0.039	64.671	0.001	0.001	0.000	0.000	0.000	0.000
615	A	705	PRO	0	0.075	0.032	66.503	0.000	0.000	0.000	0.000	0.000	0.000
616	A	706	PHE	0	0.009	-0.008	64.410	0.000	0.000	0.000	0.000	0.000	0.000
617	A	707	VAL	0	-0.010	0.000	67.488	0.001	0.001	0.000	0.000	0.000	0.000
618	A	708	ILE	0	0.037	0.030	68.370	0.000	0.000	0.000	0.000	0.000	0.000
619	A	709	GLN	0	0.012	-0.001	66.929	0.000	0.000	0.000	0.000	0.000	0.000
620	A	710	LEU	0	-0.030	-0.022	63.018	0.001	0.001	0.000	0.000	0.000	0.000
621	A	711	GLY	0	0.013	-0.008	66.684	0.000	0.000	0.000	0.000	0.000	0.000
622	A	712	ARG	1	0.740	0.845	69.450	-0.020	-0.020	0.000	0.000	0.000	0.000
623	A	713	ILE	0	0.007	0.007	64.821	0.000	0.000	0.000	0.000	0.000	0.000
624	A	714	TYR	0	-0.041	-0.031	62.409	0.001	0.001	0.000	0.000	0.000	0.000
625	A	715	LEU	0	0.049	0.008	65.112	0.001	0.001	0.000	0.000	0.000	0.000
626	A	716	ASP	-1	-0.863	-0.928	66.198	0.022	0.022	0.000	0.000	0.000	0.000
627	A	717	MET	0	-0.069	-0.022	60.295	0.001	0.001	0.000	0.000	0.000	0.000
628	A	718	LEU	0	0.003	0.001	60.271	0.001	0.001	0.000	0.000	0.000	0.000
629	A	719	ASN	0	-0.008	0.004	61.700	0.001	0.001	0.000	0.000	0.000	0.000
630	A	720	VAL	0	-0.019	-0.015	60.809	0.001	0.001	0.000	0.000	0.000	0.000
631	A	721	TYR	0	-0.068	-0.048	53.495	0.002	0.002	0.000	0.000	0.000	0.000
632	A	722	LYS	1	0.886	0.932	57.852	-0.023	-0.023	0.000	0.000	0.000	0.000
633	A	723	CYS	0	0.019	0.014	58.815	0.001	0.001	0.000	0.000	0.000	0.000
634	A	724	LEU	0	-0.041	-0.023	56.994	0.002	0.002	0.000	0.000	0.000	0.000
635	A	725	SER	0	-0.007	-0.048	54.089	0.003	0.003	0.000	0.000	0.000	0.000
636	A	726	GLU	-1	-0.903	-0.930	54.743	0.031	0.031	0.000	0.000	0.000	0.000
637	A	727	ASN	0	-0.025	-0.018	56.277	0.001	0.001	0.000	0.000	0.000	0.000
638	A	728	ILE	0	-0.049	-0.030	50.604	0.002	0.002	0.000	0.000	0.000	0.000
639	A	729	SER	0	0.011	-0.008	51.129	0.002	0.002	0.000	0.000	0.000	0.000
640	A	730	ALA	0	0.022	0.015	51.702	0.002	0.002	0.000	0.000	0.000	0.000
641	A	731	ALA	0	-0.015	-0.008	52.004	0.001	0.001	0.000	0.000	0.000	0.000
642	A	732	ILE	0	0.000	-0.002	46.385	0.002	0.002	0.000	0.000	0.000	0.000
643	A	733	GLN	0	-0.021	-0.011	48.212	0.001	0.001	0.000	0.000	0.000	0.000
644	A	734	ALA	0	-0.019	0.003	50.222	0.000	0.000	0.000	0.000	0.000	0.000
645	A	735	ASN	0	-0.104	-0.060	47.898	0.001	0.001	0.000	0.000	0.000	0.000
646	A	736	GLY	0	0.031	0.023	44.252	0.004	0.004	0.000	0.000	0.000	0.000
647	A	737	GLU	-1	-0.822	-0.943	40.171	0.064	0.064	0.000	0.000	0.000	0.000
648	A	738	MET	0	-0.043	-0.007	42.352	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	739	VAL	0	0.043	0.016	43.348	0.000	0.000	0.000	0.000	0.000	0.000
650	A	740	THR	0	0.005	0.003	43.593	-0.003	-0.003	0.000	0.000	0.000	0.000
651	A	741	LYS	1	0.902	0.956	41.640	-0.078	-0.078	0.000	0.000	0.000	0.000
652	A	742	GLN	0	0.040	0.013	44.712	-0.002	-0.002	0.000	0.000	0.000	0.000
653	A	743	PRO	0	0.007	-0.012	48.405	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	744	LEU	0	0.050	0.030	50.719	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	745	ILE	0	0.058	0.040	49.000	-0.002	-0.002	0.000	0.000	0.000	0.000
656	A	746	ARG	1	0.896	0.950	43.111	-0.066	-0.066	0.000	0.000	0.000	0.000
657	A	747	SER	0	-0.003	0.011	49.926	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	748	MET	0	0.007	0.002	53.521	-0.002	-0.002	0.000	0.000	0.000	0.000
659	A	749	ARG	1	0.835	0.881	45.188	-0.054	-0.054	0.000	0.000	0.000	0.000
660	A	750	THR	0	-0.077	-0.047	51.290	0.000	0.000	0.000	0.000	0.000	0.000
661	A	751	VAL	0	0.007	0.010	52.672	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	752	LYS	1	0.855	0.938	51.308	-0.041	-0.041	0.000	0.000	0.000	0.000
663	A	753	ARG	1	0.858	0.934	47.996	-0.047	-0.047	0.000	0.000	0.000	0.000
664	A	754	GLU	-1	-0.801	-0.897	52.370	0.035	0.035	0.000	0.000	0.000	0.000
665	A	755	THR	0	0.000	-0.011	55.215	-0.002	-0.002	0.000	0.000	0.000	0.000
666	A	756	LEU	0	0.030	0.021	51.493	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	757	LYS	1	0.838	0.928	50.359	-0.038	-0.038	0.000	0.000	0.000	0.000
668	A	758	LEU	0	-0.013	0.007	54.612	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	759	ILE	0	0.046	0.028	57.942	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	760	SER	0	0.004	-0.008	54.155	-0.001	-0.001	0.000	0.000	0.000	0.000
671	A	761	GLY	0	-0.009	0.011	56.205	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	762	TRP	0	-0.011	-0.019	57.672	-0.001	-0.001	0.000	0.000	0.000	0.000
673	A	763	VAL	0	0.050	0.023	58.722	-0.001	-0.001	0.000	0.000	0.000	0.000
674	A	764	SER	0	0.009	0.001	56.216	-0.001	-0.001	0.000	0.000	0.000	0.000
675	A	765	ARG	1	0.807	0.901	56.441	-0.022	-0.022	0.000	0.000	0.000	0.000
676	A	766	SER	0	-0.057	-0.024	61.437	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	767	ASN	0	-0.033	-0.047	63.864	0.000	0.000	0.000	0.000	0.000	0.000
678	A	768	ASP	-1	-0.817	-0.909	66.313	0.011	0.011	0.000	0.000	0.000	0.000
679	A	769	PRO	0	0.034	0.003	64.373	0.001	0.001	0.000	0.000	0.000	0.000
680	A	770	GLN	0	0.054	0.042	65.641	0.001	0.001	0.000	0.000	0.000	0.000
681	A	771	MET	0	-0.019	-0.001	68.312	0.001	0.001	0.000	0.000	0.000	0.000
682	A	772	VAL	0	-0.051	-0.034	62.008	0.001	0.001	0.000	0.000	0.000	0.000
683	A	773	ALA	0	0.008	-0.004	63.802	0.001	0.001	0.000	0.000	0.000	0.000
684	A	774	GLU	-1	-0.903	-0.946	64.813	0.013	0.013	0.000	0.000	0.000	0.000
685	A	775	ASN	0	-0.069	-0.029	67.685	0.000	0.000	0.000	0.000	0.000	0.000
686	A	776	PHE	0	-0.046	-0.029	63.745	0.001	0.001	0.000	0.000	0.000	0.000
687	A	777	VAL	0	0.025	0.026	60.145	0.001	0.001	0.000	0.000	0.000	0.000
688	A	778	PRO	0	0.049	0.027	61.576	0.001	0.001	0.000	0.000	0.000	0.000
689	A	779	PRO	0	0.005	-0.007	62.756	0.001	0.001	0.000	0.000	0.000	0.000
690	A	780	LEU	0	-0.024	0.002	56.808	0.001	0.001	0.000	0.000	0.000	0.000
691	A	781	LEU	0	0.020	-0.005	57.184	0.001	0.001	0.000	0.000	0.000	0.000
692	A	782	ASP	-1	-0.840	-0.899	58.054	0.025	0.025	0.000	0.000	0.000	0.000
693	A	783	ALA	0	-0.043	-0.010	59.359	0.001	0.001	0.000	0.000	0.000	0.000
694	A	784	VAL	0	-0.020	-0.026	54.316	0.002	0.002	0.000	0.000	0.000	0.000
695	A	785	LEU	0	-0.010	0.020	53.325	0.002	0.002	0.000	0.000	0.000	0.000
696	A	786	ILE	0	0.040	0.004	52.958	0.002	0.002	0.000	0.000	0.000	0.000
697	A	787	ASP	-1	-0.738	-0.810	53.321	0.038	0.038	0.000	0.000	0.000	0.000
698	A	788	TYR	0	0.004	-0.015	44.875	0.003	0.003	0.000	0.000	0.000	0.000
699	A	789	GLN	0	-0.018	-0.003	48.831	0.002	0.002	0.000	0.000	0.000	0.000
700	A	790	ARG	1	0.904	0.954	48.726	-0.028	-0.028	0.000	0.000	0.000	0.000
701	A	791	ASN	0	-0.061	-0.021	48.311	0.003	0.003	0.000	0.000	0.000	0.000
702	A	792	VAL	0	0.010	0.008	43.799	0.000	0.000	0.000	0.000	0.000	0.000
703	A	793	PRO	0	0.058	0.006	40.372	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	794	ALA	0	0.051	0.041	41.433	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	795	ALA	0	-0.043	-0.024	42.764	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	796	ARG	1	0.833	0.918	43.669	-0.048	-0.048	0.000	0.000	0.000	0.000
707	A	797	GLU	-1	-0.745	-0.847	45.463	0.049	0.049	0.000	0.000	0.000	0.000
708	A	798	PRO	0	0.031	0.025	43.576	-0.002	-0.002	0.000	0.000	0.000	0.000
709	A	799	GLU	-1	-0.828	-0.942	45.679	0.039	0.039	0.000	0.000	0.000	0.000
710	A	800	VAL	0	0.016	0.035	48.888	-0.002	-0.002	0.000	0.000	0.000	0.000
711	A	801	LEU	0	0.028	0.018	44.338	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	802	SER	0	-0.040	-0.021	47.926	-0.002	-0.002	0.000	0.000	0.000	0.000
713	A	803	THR	0	-0.003	-0.021	49.359	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	804	MET	0	0.009	0.002	51.723	-0.001	-0.001	0.000	0.000	0.000	0.000
715	A	805	ALA	0	0.052	0.028	48.958	-0.002	-0.002	0.000	0.000	0.000	0.000
716	A	806	ILE	0	-0.054	-0.018	51.087	-0.002	-0.002	0.000	0.000	0.000	0.000
717	A	807	ILE	0	-0.011	-0.015	53.726	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	808	VAL	0	0.037	0.020	53.364	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	809	ASN	0	-0.044	-0.042	50.654	-0.003	-0.003	0.000	0.000	0.000	0.000
720	A	810	LYS	1	0.776	0.913	54.947	-0.016	-0.016	0.000	0.000	0.000	0.000
721	A	811	LEU	0	-0.032	-0.002	58.468	-0.001	-0.001	0.000	0.000	0.000	0.000
722	A	812	GLY	0	0.084	0.036	57.733	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	813	GLY	0	0.024	0.016	58.760	0.000	0.000	0.000	0.000	0.000	0.000
724	A	814	HIS	0	-0.078	-0.050	61.663	0.000	0.000	0.000	0.000	0.000	0.000
725	A	815	ILE	0	0.043	0.016	57.386	0.000	0.000	0.000	0.000	0.000	0.000
726	A	816	THR	0	-0.021	-0.019	57.929	0.001	0.001	0.000	0.000	0.000	0.000
727	A	817	ALA	0	-0.012	-0.004	58.611	0.000	0.000	0.000	0.000	0.000	0.000
728	A	818	GLU	-1	-0.858	-0.930	58.967	0.016	0.016	0.000	0.000	0.000	0.000
729	A	819	ILE	0	-0.034	-0.007	53.066	0.001	0.001	0.000	0.000	0.000	0.000
730	A	820	PRO	0	0.042	0.014	54.027	0.001	0.001	0.000	0.000	0.000	0.000
731	A	821	GLN	0	0.003	0.007	54.578	0.002	0.002	0.000	0.000	0.000	0.000
732	A	822	ILE	0	-0.003	-0.012	51.734	0.002	0.002	0.000	0.000	0.000	0.000
733	A	823	PHE	0	-0.004	-0.020	48.759	0.002	0.002	0.000	0.000	0.000	0.000
734	A	824	ASP	-1	-0.850	-0.915	49.934	0.022	0.022	0.000	0.000	0.000	0.000
735	A	825	ALA	0	-0.086	-0.032	51.250	0.002	0.002	0.000	0.000	0.000	0.000
736	A	826	VAL	0	0.024	-0.006	48.140	0.002	0.002	0.000	0.000	0.000	0.000
737	A	827	PHE	0	0.007	0.029	44.062	0.002	0.002	0.000	0.000	0.000	0.000
738	A	828	GLU	-1	-0.853	-0.929	43.239	0.036	0.036	0.000	0.000	0.000	0.000
739	A	829	CYS	0	-0.042	-0.012	42.955	0.002	0.002	0.000	0.000	0.000	0.000
740	A	830	THR	0	0.032	0.014	41.964	0.004	0.004	0.000	0.000	0.000	0.000
741	A	831	LEU	0	0.016	0.018	38.698	0.003	0.003	0.000	0.000	0.000	0.000
742	A	832	ASN	0	-0.034	-0.045	38.440	0.006	0.006	0.000	0.000	0.000	0.000
743	A	833	MET	0	-0.063	0.012	38.072	0.002	0.002	0.000	0.000	0.000	0.000
744	A	834	ILE	0	-0.008	0.001	35.518	0.005	0.005	0.000	0.000	0.000	0.000
745	A	835	ASN	0	0.048	0.029	34.248	0.006	0.006	0.000	0.000	0.000	0.000
746	A	836	LYS	1	0.798	0.908	31.011	-0.061	-0.061	0.000	0.000	0.000	0.000
747	A	837	ASP	-1	-0.787	-0.889	28.751	0.088	0.088	0.000	0.000	0.000	0.000
748	A	838	PHE	0	-0.071	-0.036	27.726	0.003	0.003	0.000	0.000	0.000	0.000
749	A	839	GLU	-1	-0.952	-0.982	29.453	0.095	0.095	0.000	0.000	0.000	0.000
750	A	840	GLU	-1	-0.882	-0.905	31.440	0.082	0.082	0.000	0.000	0.000	0.000
751	A	841	TYR	0	-0.054	-0.067	34.025	-0.003	-0.003	0.000	0.000	0.000	0.000
752	A	842	PRO	0	0.028	0.025	34.556	-0.007	-0.007	0.000	0.000	0.000	0.000
753	A	843	GLU	-1	-0.899	-0.946	36.930	0.056	0.056	0.000	0.000	0.000	0.000
754	A	844	HIS	0	0.006	-0.017	40.433	-0.003	-0.003	0.000	0.000	0.000	0.000
755	A	845	ARG	1	0.868	0.924	31.152	-0.071	-0.071	0.000	0.000	0.000	0.000
756	A	846	THR	0	-0.029	-0.013	39.080	-0.004	-0.004	0.000	0.000	0.000	0.000
757	A	847	ASN	0	-0.039	-0.044	40.738	-0.004	-0.004	0.000	0.000	0.000	0.000
758	A	848	PHE	0	-0.017	0.001	40.966	-0.003	-0.003	0.000	0.000	0.000	0.000
759	A	849	PHE	0	0.026	0.005	37.309	-0.003	-0.003	0.000	0.000	0.000	0.000
760	A	850	LEU	0	0.017	0.016	42.753	-0.003	-0.003	0.000	0.000	0.000	0.000
761	A	851	LEU	0	-0.023	-0.011	45.654	-0.002	-0.002	0.000	0.000	0.000	0.000
762	A	852	LEU	0	0.009	0.007	43.281	-0.002	-0.002	0.000	0.000	0.000	0.000
763	A	853	GLN	0	0.012	0.000	45.060	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	854	ALA	0	-0.021	0.006	47.245	-0.002	-0.002	0.000	0.000	0.000	0.000
765	A	855	VAL	0	0.016	-0.006	50.202	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	856	ASN	0	-0.031	-0.034	47.362	-0.002	-0.002	0.000	0.000	0.000	0.000
767	A	857	SER	0	-0.048	-0.027	50.022	-0.002	-0.002	0.000	0.000	0.000	0.000
768	A	858	HIS	0	-0.049	-0.019	52.270	-0.002	-0.002	0.000	0.000	0.000	0.000
769	A	859	CYS	0	-0.082	-0.024	54.530	0.000	0.000	0.000	0.000	0.000	0.000
770	A	860	PHE	0	0.046	0.040	49.953	0.000	0.000	0.000	0.000	0.000	0.000
771	A	861	PRO	0	0.070	0.021	54.323	0.000	0.000	0.000	0.000	0.000	0.000
772	A	862	ALA	0	0.006	0.010	54.629	0.000	0.000	0.000	0.000	0.000	0.000
773	A	863	PHE	0	-0.042	-0.035	48.906	0.001	0.001	0.000	0.000	0.000	0.000
774	A	864	LEU	0	-0.035	-0.009	52.934	0.000	0.000	0.000	0.000	0.000	0.000
775	A	865	ALA	0	-0.046	-0.013	55.730	0.000	0.000	0.000	0.000	0.000	0.000
776	A	866	ILE	0	-0.021	0.008	50.221	0.001	0.001	0.000	0.000	0.000	0.000
777	A	867	PRO	0	0.019	0.015	51.878	-0.001	-0.001	0.000	0.000	0.000	0.000
778	A	868	PRO	0	0.055	0.010	50.709	0.001	0.001	0.000	0.000	0.000	0.000
779	A	869	THR	0	-0.009	-0.014	47.593	0.000	0.000	0.000	0.000	0.000	0.000
780	A	870	GLN	0	0.016	-0.007	46.613	0.001	0.001	0.000	0.000	0.000	0.000
781	A	871	PHE	0	0.064	0.027	46.928	0.001	0.001	0.000	0.000	0.000	0.000
782	A	872	LYS	1	0.807	0.890	40.327	-0.014	-0.014	0.000	0.000	0.000	0.000
783	A	873	LEU	0	0.035	0.015	41.787	0.000	0.000	0.000	0.000	0.000	0.000
784	A	874	VAL	0	-0.022	-0.005	42.319	0.002	0.002	0.000	0.000	0.000	0.000
785	A	875	LEU	0	0.015	0.024	42.575	0.001	0.001	0.000	0.000	0.000	0.000
786	A	876	ASP	-1	-0.807	-0.880	38.613	0.018	0.018	0.000	0.000	0.000	0.000
787	A	877	SER	0	-0.074	-0.058	37.858	0.002	0.002	0.000	0.000	0.000	0.000
788	A	878	ILE	0	0.008	0.004	38.564	0.001	0.001	0.000	0.000	0.000	0.000
789	A	879	ILE	0	-0.005	-0.005	34.905	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	880	TRP	0	-0.054	-0.030	32.398	-0.002	-0.002	0.000	0.000	0.000	0.000
791	A	881	ALA	0	-0.032	-0.010	33.795	0.002	0.002	0.000	0.000	0.000	0.000
792	A	882	PHE	0	-0.011	-0.014	34.489	0.001	0.001	0.000	0.000	0.000	0.000
793	A	883	LYS	1	0.858	0.936	30.507	-0.004	-0.004	0.000	0.000	0.000	0.000
794	A	884	HIS	0	-0.011	0.005	29.825	0.008	0.008	0.000	0.000	0.000	0.000
795	A	885	THR	0	0.036	0.017	25.532	-0.002	-0.002	0.000	0.000	0.000	0.000
796	A	886	MET	0	-0.016	-0.006	28.184	-0.007	-0.007	0.000	0.000	0.000	0.000
797	A	887	ARG	1	0.871	0.916	31.046	-0.013	-0.013	0.000	0.000	0.000	0.000
798	A	888	ASN	0	0.051	0.028	33.345	-0.005	-0.005	0.000	0.000	0.000	0.000
799	A	889	VAL	0	-0.016	0.008	34.299	-0.002	-0.002	0.000	0.000	0.000	0.000
800	A	890	ALA	0	0.051	0.042	32.962	-0.002	-0.002	0.000	0.000	0.000	0.000
801	A	891	ASP	-1	-0.872	-0.959	35.105	0.008	0.008	0.000	0.000	0.000	0.000
802	A	892	THR	0	-0.048	-0.032	38.095	-0.002	-0.002	0.000	0.000	0.000	0.000
803	A	893	GLY	0	0.030	0.004	38.312	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	894	LEU	0	-0.017	-0.008	35.830	-0.002	-0.002	0.000	0.000	0.000	0.000
805	A	895	GLN	0	-0.007	-0.019	39.885	-0.004	-0.004	0.000	0.000	0.000	0.000
806	A	896	ILE	0	-0.008	0.005	42.130	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	897	LEU	0	0.048	0.024	40.063	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	898	PHE	0	0.015	-0.002	43.423	-0.002	-0.002	0.000	0.000	0.000	0.000
809	A	899	THR	0	-0.023	-0.007	45.157	-0.001	-0.001	0.000	0.000	0.000	0.000
810	A	900	LEU	0	-0.010	0.010	45.818	-0.001	-0.001	0.000	0.000	0.000	0.000
811	A	901	LEU	0	-0.029	-0.023	43.636	-0.001	-0.001	0.000	0.000	0.000	0.000
812	A	902	GLN	0	-0.052	-0.018	48.108	-0.002	-0.002	0.000	0.000	0.000	0.000
813	A	903	ASN	0	-0.033	-0.022	51.117	0.000	0.000	0.000	0.000	0.000	0.000
814	A	904	VAL	0	0.014	0.005	49.631	0.000	0.000	0.000	0.000	0.000	0.000
815	A	905	ALA	0	-0.016	-0.006	52.694	0.000	0.000	0.000	0.000	0.000	0.000
816	A	906	GLN	0	-0.048	-0.017	54.259	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	907	GLU	-1	-0.915	-0.964	55.883	0.004	0.004	0.000	0.000	0.000	0.000
818	A	908	GLU	-1	-0.848	-0.922	57.303	-0.005	-0.005	0.000	0.000	0.000	0.000
819	A	909	ALA	0	-0.019	-0.008	57.048	0.000	0.000	0.000	0.000	0.000	0.000
820	A	910	ALA	0	0.028	0.013	54.921	0.000	0.000	0.000	0.000	0.000	0.000
821	A	911	ALA	0	0.008	0.022	53.094	0.000	0.000	0.000	0.000	0.000	0.000
822	A	912	GLN	0	0.011	-0.029	52.147	-0.001	-0.001	0.000	0.000	0.000	0.000
823	A	913	SER	0	-0.053	-0.020	52.166	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	914	PHE	0	-0.006	0.005	45.765	0.000	0.000	0.000	0.000	0.000	0.000
825	A	915	TYR	0	0.009	-0.013	47.958	0.000	0.000	0.000	0.000	0.000	0.000
826	A	916	GLN	0	0.006	-0.017	47.268	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	917	THR	0	-0.083	-0.038	46.148	0.000	0.000	0.000	0.000	0.000	0.000
828	A	918	TYR	0	0.002	-0.013	43.134	0.002	0.002	0.000	0.000	0.000	0.000
829	A	919	PHE	0	0.006	0.011	42.632	0.000	0.000	0.000	0.000	0.000	0.000
830	A	920	CYS	0	0.000	-0.007	41.180	-0.001	-0.001	0.000	0.000	0.000	0.000
831	A	921	ASP	-1	-0.800	-0.885	37.501	-0.005	-0.005	0.000	0.000	0.000	0.000
832	A	922	ILE	0	0.011	0.006	37.642	0.000	0.000	0.000	0.000	0.000	0.000
833	A	923	LEU	0	0.005	0.000	37.983	-0.001	-0.001	0.000	0.000	0.000	0.000
834	A	924	GLN	0	-0.046	-0.033	33.221	-0.003	-0.003	0.000	0.000	0.000	0.000
835	A	925	HIS	0	-0.002	0.002	33.473	-0.002	-0.002	0.000	0.000	0.000	0.000
836	A	926	ILE	0	0.013	0.006	33.264	0.001	0.001	0.000	0.000	0.000	0.000
837	A	927	PHE	0	0.051	0.004	33.106	-0.002	-0.002	0.000	0.000	0.000	0.000
838	A	928	SER	0	-0.106	-0.038	28.708	-0.002	-0.002	0.000	0.000	0.000	0.000
839	A	929	VAL	0	-0.015	-0.011	29.466	0.006	0.006	0.000	0.000	0.000	0.000
840	A	930	VAL	0	-0.068	-0.031	29.598	-0.002	-0.002	0.000	0.000	0.000	0.000
841	A	931	THR	0	-0.045	-0.032	28.182	-0.006	-0.006	0.000	0.000	0.000	0.000
842	A	932	ASP	-1	-0.846	-0.909	25.279	-0.033	-0.033	0.000	0.000	0.000	0.000
843	A	933	THR	0	-0.048	-0.023	21.280	-0.012	-0.012	0.000	0.000	0.000	0.000
844	A	934	SER	0	-0.050	-0.030	23.247	0.008	0.008	0.000	0.000	0.000	0.000
845	A	935	HIS	0	0.058	0.045	26.474	-0.006	-0.006	0.000	0.000	0.000	0.000
846	A	936	THR	0	-0.035	-0.026	27.685	0.000	0.000	0.000	0.000	0.000	0.000
847	A	937	ALA	0	-0.056	-0.037	30.551	-0.001	-0.001	0.000	0.000	0.000	0.000
848	A	938	GLY	0	0.092	0.056	32.710	0.000	0.000	0.000	0.000	0.000	0.000
849	A	939	LEU	0	-0.017	-0.009	33.482	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	940	THR	0	-0.025	-0.045	35.955	-0.003	-0.003	0.000	0.000	0.000	0.000
851	A	941	MET	0	-0.006	0.036	38.781	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	942	HIS	0	0.059	0.024	33.227	-0.002	-0.002	0.000	0.000	0.000	0.000
853	A	943	ALA	0	-0.008	-0.001	38.128	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	944	SER	0	0.010	-0.008	40.248	-0.001	-0.001	0.000	0.000	0.000	0.000
855	A	945	ILE	0	-0.028	-0.013	40.042	0.000	0.000	0.000	0.000	0.000	0.000
856	A	946	LEU	0	-0.009	-0.005	36.947	0.000	0.000	0.000	0.000	0.000	0.000
857	A	947	ALA	0	0.031	0.033	41.618	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	948	TYR	0	-0.010	-0.015	44.791	0.000	0.000	0.000	0.000	0.000	0.000
859	A	949	MET	0	-0.038	-0.027	42.366	0.001	0.001	0.000	0.000	0.000	0.000
860	A	950	PHE	0	0.000	-0.019	40.113	-0.001	-0.001	0.000	0.000	0.000	0.000
861	A	951	ASN	0	0.075	0.047	45.908	-0.001	-0.001	0.000	0.000	0.000	0.000
862	A	952	LEU	0	-0.027	-0.004	47.983	0.000	0.000	0.000	0.000	0.000	0.000
863	A	953	VAL	0	-0.026	-0.015	46.576	0.000	0.000	0.000	0.000	0.000	0.000
864	A	954	GLU	-1	-0.842	-0.899	49.596	-0.024	-0.024	0.000	0.000	0.000	0.000
865	A	955	GLU	-1	-0.880	-0.923	51.227	-0.014	-0.014	0.000	0.000	0.000	0.000
866	A	956	GLY	0	-0.020	-0.012	53.703	0.001	0.001	0.000	0.000	0.000	0.000
867	A	957	LYS	1	0.791	0.887	53.236	0.012	0.012	0.000	0.000	0.000	0.000
868	A	958	ILE	0	-0.011	0.018	48.340	0.001	0.001	0.000	0.000	0.000	0.000
869	A	959	SER	0	0.006	-0.002	52.683	-0.001	-0.001	0.000	0.000	0.000	0.000
870	A	960	THR	0	-0.006	0.002	52.666	-0.001	-0.001	0.000	0.000	0.000	0.000
871	A	961	SER	0	-0.015	-0.009	50.975	-0.001	-0.001	0.000	0.000	0.000	0.000
872	A	962	LEU	0	0.046	0.012	45.748	0.001	0.001	0.000	0.000	0.000	0.000
873	A	963	ASN	0	-0.029	0.003	45.778	0.002	0.002	0.000	0.000	0.000	0.000
874	A	964	PRO	0	0.022	-0.001	47.877	0.000	0.000	0.000	0.000	0.000	0.000
875	A	965	GLY	0	-0.017	0.003	49.087	0.001	0.001	0.000	0.000	0.000	0.000
876	A	966	ASN	0	-0.051	-0.036	47.078	-0.001	-0.001	0.000	0.000	0.000	0.000
877	A	967	PRO	0	-0.007	0.007	50.183	-0.001	-0.001	0.000	0.000	0.000	0.000
878	A	968	VAL	0	-0.008	0.001	48.495	-0.001	-0.001	0.000	0.000	0.000	0.000
879	A	969	ASN	0	0.032	0.012	51.556	0.001	0.001	0.000	0.000	0.000	0.000
880	A	970	ASN	0	0.074	0.018	48.874	-0.002	-0.002	0.000	0.000	0.000	0.000
881	A	971	GLN	0	-0.022	0.000	47.379	-0.002	-0.002	0.000	0.000	0.000	0.000
882	A	972	ILE	0	0.005	-0.002	46.513	-0.002	-0.002	0.000	0.000	0.000	0.000
883	A	973	PHE	0	0.020	0.004	43.157	-0.002	-0.002	0.000	0.000	0.000	0.000
884	A	974	LEU	0	0.032	0.020	41.514	-0.002	-0.002	0.000	0.000	0.000	0.000
885	A	975	GLN	0	0.005	0.005	41.709	-0.005	-0.005	0.000	0.000	0.000	0.000
886	A	976	GLU	-1	-0.982	-0.987	40.953	-0.040	-0.040	0.000	0.000	0.000	0.000
887	A	977	TYR	0	-0.006	-0.004	38.181	-0.003	-0.003	0.000	0.000	0.000	0.000
888	A	978	VAL	0	0.024	0.007	37.063	-0.002	-0.002	0.000	0.000	0.000	0.000
889	A	979	ALA	0	0.022	0.012	36.025	-0.004	-0.004	0.000	0.000	0.000	0.000
890	A	980	ASN	0	-0.033	-0.030	35.271	-0.009	-0.009	0.000	0.000	0.000	0.000
891	A	981	LEU	0	0.021	0.029	31.954	-0.004	-0.004	0.000	0.000	0.000	0.000
892	A	982	LEU	0	0.018	-0.003	31.490	-0.005	-0.005	0.000	0.000	0.000	0.000
893	A	983	LYS	1	0.808	0.885	30.521	0.058	0.058	0.000	0.000	0.000	0.000
894	A	984	SER	0	-0.057	-0.035	29.409	-0.008	-0.008	0.000	0.000	0.000	0.000
895	A	985	ALA	0	-0.019	0.004	26.976	-0.005	-0.005	0.000	0.000	0.000	0.000
896	A	986	PHE	0	-0.024	-0.015	25.558	-0.010	-0.010	0.000	0.000	0.000	0.000
897	A	987	PRO	0	0.024	0.009	24.915	-0.002	-0.002	0.000	0.000	0.000	0.000
898	A	988	HIS	0	-0.051	-0.016	24.724	-0.009	-0.009	0.000	0.000	0.000	0.000
899	A	989	LEU	0	-0.047	-0.010	26.811	0.000	0.000	0.000	0.000	0.000	0.000
900	A	990	GLN	0	0.021	0.003	30.140	0.009	0.009	0.000	0.000	0.000	0.000
901	A	991	ASP	-1	-0.756	-0.876	33.325	-0.064	-0.064	0.000	0.000	0.000	0.000
902	A	992	ALA	0	-0.024	-0.008	35.866	0.005	0.005	0.000	0.000	0.000	0.000
903	A	993	GLN	0	0.015	-0.002	33.155	-0.001	-0.001	0.000	0.000	0.000	0.000
904	A	994	VAL	0	0.016	0.028	33.812	0.004	0.004	0.000	0.000	0.000	0.000
905	A	995	LYS	1	0.901	0.947	36.541	0.048	0.048	0.000	0.000	0.000	0.000
906	A	996	LEU	0	-0.033	-0.005	40.067	0.004	0.004	0.000	0.000	0.000	0.000
907	A	997	PHE	0	0.034	0.012	36.507	0.003	0.003	0.000	0.000	0.000	0.000
908	A	998	VAL	0	0.040	0.014	38.183	0.004	0.004	0.000	0.000	0.000	0.000
909	A	999	THR	0	-0.042	-0.038	40.640	0.004	0.004	0.000	0.000	0.000	0.000
910	A	1000	GLY	0	0.014	0.018	42.904	0.003	0.003	0.000	0.000	0.000	0.000
911	A	1001	LEU	0	-0.023	-0.001	38.391	0.002	0.002	0.000	0.000	0.000	0.000
912	A	1002	PHE	0	0.016	-0.001	42.841	0.003	0.003	0.000	0.000	0.000	0.000
913	A	1003	SER	0	-0.059	-0.036	46.084	0.002	0.002	0.000	0.000	0.000	0.000
914	A	1004	LEU	0	-0.020	-0.012	44.122	0.000	0.000	0.000	0.000	0.000	0.000
915	A	1005	ASN	0	-0.046	-0.043	46.707	0.002	0.002	0.000	0.000	0.000	0.000
916	A	1006	GLN	0	-0.092	-0.043	47.701	0.001	0.001	0.000	0.000	0.000	0.000
917	A	1007	ASP	-1	-0.844	-0.928	48.286	-0.019	-0.019	0.000	0.000	0.000	0.000
918	A	1008	ILE	0	-0.001	0.007	44.795	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	1009	PRO	0	-0.021	-0.017	44.505	-0.001	-0.001	0.000	0.000	0.000	0.000
920	A	1010	ALA	0	0.083	0.043	43.805	-0.002	-0.002	0.000	0.000	0.000	0.000
921	A	1011	PHE	0	0.010	0.019	40.948	-0.003	-0.003	0.000	0.000	0.000	0.000
922	A	1012	LYS	1	0.836	0.891	38.098	0.017	0.017	0.000	0.000	0.000	0.000
923	A	1013	GLU	-1	-0.975	-0.994	39.086	-0.031	-0.031	0.000	0.000	0.000	0.000
924	A	1014	HIS	0	0.001	0.002	39.093	-0.005	-0.005	0.000	0.000	0.000	0.000
925	A	1015	LEU	0	-0.029	-0.016	35.757	-0.004	-0.004	0.000	0.000	0.000	0.000
926	A	1016	ARG	1	0.833	0.913	34.649	0.031	0.031	0.000	0.000	0.000	0.000
927	A	1017	ASP	-1	-0.828	-0.926	34.097	-0.053	-0.053	0.000	0.000	0.000	0.000
928	A	1018	PHE	0	-0.046	-0.003	31.469	-0.008	-0.008	0.000	0.000	0.000	0.000
929	A	1019	LEU	0	0.016	0.006	29.801	-0.008	-0.008	0.000	0.000	0.000	0.000
930	A	1020	VAL	0	0.008	-0.005	29.744	-0.008	-0.008	0.000	0.000	0.000	0.000
931	A	1021	GLN	0	-0.070	-0.040	29.958	-0.012	-0.012	0.000	0.000	0.000	0.000
932	A	1022	ILE	0	-0.036	-0.012	27.627	-0.012	-0.012	0.000	0.000	0.000	0.000
933	A	1023	LYS	1	0.874	0.939	24.505	0.054	0.054	0.000	0.000	0.000	0.000
934	A	1024	GLU	-1	-0.835	-0.919	25.191	-0.104	-0.104	0.000	0.000	0.000	0.000
935	A	1025	PHE	0	-0.075	-0.044	25.196	-0.012	-0.012	0.000	0.000	0.000	0.000
936	A	1026	ALA	0	-0.010	0.014	21.046	-0.019	-0.019	0.000	0.000	0.000	0.000
937	A	1027	GLY	0	-0.023	-0.035	21.827	-0.018	-0.018	0.000	0.000	0.000	0.000
938	A	1028	GLU	-1	-0.781	-0.885	20.594	-0.140	-0.140	0.000	0.000	0.000	0.000
939	A	1029	ASP	-1	-0.797	-0.882	23.445	-0.049	-0.049	0.000	0.000	0.000	0.000
940	A	1030	THR	0	0.007	0.005	25.544	0.010	0.010	0.000	0.000	0.000	0.000
941	A	1031	SER	0	-0.002	-0.009	27.742	0.004	0.004	0.000	0.000	0.000	0.000
942	A	1032	ASP	-1	-0.910	-0.957	27.497	-0.004	-0.004	0.000	0.000	0.000	0.000
943	A	1033	LEU	0	0.052	0.035	29.540	0.005	0.005	0.000	0.000	0.000	0.000
944	A	1034	PHE	0	-0.034	-0.014	31.856	0.002	0.002	0.000	0.000	0.000	0.000
945	A	1035	LEU	0	-0.002	-0.003	31.401	0.003	0.003	0.000	0.000	0.000	0.000
946	A	1036	GLU	-1	-0.708	-0.836	34.194	-0.010	-0.010	0.000	0.000	0.000	0.000
947	A	1037	GLU	-1	-0.965	-0.971	37.412	-0.020	-0.020	0.000	0.000	0.000	0.000
948	A	1038	ARG	1	0.948	0.974	31.372	0.015	0.015	0.000	0.000	0.000	0.000
949	A	1039	GLU	-1	-0.780	-0.860	37.114	0.009	0.009	0.000	0.000	0.000	0.000
950	A	1040	ILE	0	-0.045	-0.021	39.877	0.002	0.002	0.000	0.000	0.000	0.000
951	A	1041	ALA	0	0.017	0.005	42.047	0.001	0.001	0.000	0.000	0.000	0.000
952	A	1042	LEU	0	-0.032	-0.005	40.527	0.001	0.001	0.000	0.000	0.000	0.000
953	A	1043	ARG	1	0.930	0.950	40.858	-0.002	-0.002	0.000	0.000	0.000	0.000
954	A	1044	GLN	0	-0.018	-0.006	45.896	0.001	0.001	0.000	0.000	0.000	0.000
955	A	1045	ALA	0	-0.008	0.004	46.530	0.000	0.000	0.000	0.000	0.000	0.000
956	A	1046	ASP	-1	-0.892	-0.954	45.575	0.006	0.006	0.000	0.000	0.000	0.000
957	A	1047	GLU	-1	-0.865	-0.915	48.841	0.003	0.003	0.000	0.000	0.000	0.000
958	A	1048	GLU	-1	-0.875	-0.921	51.775	-0.001	-0.001	0.000	0.000	0.000	0.000
959	A	1049	LYS	1	0.907	0.950	50.902	-0.004	-0.004	0.000	0.000	0.000	0.000
960	A	1050	HIS	0	0.004	-0.013	52.424	0.001	0.001	0.000	0.000	0.000	0.000
961	A	1051	LYS	1	0.811	0.875	54.297	-0.002	-0.002	0.000	0.000	0.000	0.000
962	A	1052	ARG	1	0.835	0.912	56.549	0.000	0.000	0.000	0.000	0.000	0.000
963	A	1053	GLN	0	-0.016	-0.031	54.904	-0.001	-0.001	0.000	0.000	0.000	0.000
964	A	1054	MET	0	-0.042	-0.021	57.946	0.001	0.001	0.000	0.000	0.000	0.000
965	A	1055	SER	0	-0.062	-0.023	61.240	0.000	0.000	0.000	0.000	0.000	0.000
966	A	1056	VAL	0	0.004	0.011	61.832	0.000	0.000	0.000	0.000	0.000	0.000
967	A	1057	PRO	0	0.014	0.011	63.161	0.001	0.001	0.000	0.000	0.000	0.000
968	A	1058	GLY	0	0.043	0.019	63.990	0.000	0.000	0.000	0.000	0.000	0.000
969	A	1059	ILE	0	-0.029	0.016	58.480	0.001	0.001	0.000	0.000	0.000	0.000
970	A	1060	PHE	0	-0.006	-0.002	58.417	0.001	0.001	0.000	0.000	0.000	0.000
971	A	1061	ASN	0	-0.017	0.016	59.556	0.001	0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:53:LEU)