FMO DATABASE

FMODB ID: 39Z5L

Calculation Name: 3SZE-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3SZE

Chain ID: A

ChEMBL ID:

UniProt ID: Q7BSW5

Base Structure: X-ray

Registration Date: 2023-06-22

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	943
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24413097.021866
FMO2-HF: Nuclear repulsion	24054651.70634
FMO2-HF: Total energy	-358445.315527
FMO2-MP2: Total energy	-359505.68694

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:56:SER)

Summations of interaction energy for fragment #1(A:56:SER)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-37.197	-27.918	30.471	-17.453	-22.3	-0.074

Interaction energy analysis for fragmet #1(A:56:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.010 / q_NPA : 0.001

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	58	MET	0	-0.013	0.014	2.909	1.365	3.295	0.117	-0.766	-1.281	0.002
4	A	59	ASP	-1	-0.814	-0.886	5.366	-0.993	-0.961	-0.001	0.000	-0.031	0.000
5	A	60	ILE	0	0.007	0.008	8.774	0.323	0.323	0.000	0.000	0.000	0.000
6	A	61	SER	0	-0.056	-0.070	11.288	0.164	0.164	0.000	0.000	0.000	0.000
7	A	62	ASN	0	-0.027	-0.027	13.991	0.095	0.095	0.000	0.000	0.000	0.000
8	A	63	PHE	0	0.053	0.050	11.408	0.096	0.096	0.000	0.000	0.000	0.000
9	A	64	TYR	0	-0.013	-0.031	12.230	-0.113	-0.113	0.000	0.000	0.000	0.000
10	A	65	ILE	0	-0.023	-0.024	6.977	0.057	0.057	0.000	0.000	0.000	0.000
11	A	66	ARG	1	0.925	0.964	8.511	-0.080	-0.080	0.000	0.000	0.000	0.000
12	A	67	ASP	-1	-0.751	-0.847	11.166	0.319	0.319	0.000	0.000	0.000	0.000
13	A	68	TYR	0	-0.017	-0.040	5.802	0.093	0.093	0.000	0.000	0.000	0.000
14	A	69	MET	0	-0.046	-0.013	7.130	0.600	0.600	0.000	0.000	0.000	0.000
15	A	70	ASP	-1	-0.762	-0.868	8.710	0.838	0.838	0.000	0.000	0.000	0.000
16	A	71	PHE	0	-0.046	-0.015	9.289	-0.016	-0.016	0.000	0.000	0.000	0.000
17	A	72	ALA	0	-0.021	-0.012	8.110	-0.009	-0.009	0.000	0.000	0.000	0.000
18	A	73	GLN	0	-0.048	-0.038	9.252	-0.420	-0.420	0.000	0.000	0.000	0.000
19	A	74	ASN	0	-0.072	-0.029	12.531	-0.083	-0.083	0.000	0.000	0.000	0.000
20	A	75	LYS	1	0.894	0.964	14.063	-1.141	-1.141	0.000	0.000	0.000	0.000
21	A	76	GLY	0	0.036	0.004	16.000	-0.006	-0.006	0.000	0.000	0.000	0.000
22	A	77	ILE	0	0.011	0.005	16.267	-0.014	-0.014	0.000	0.000	0.000	0.000
23	A	78	PHE	0	-0.045	-0.012	13.305	-0.026	-0.026	0.000	0.000	0.000	0.000
24	A	79	GLN	0	0.023	0.011	16.676	0.100	0.100	0.000	0.000	0.000	0.000
25	A	80	ALA	0	0.029	0.006	19.126	-0.017	-0.017	0.000	0.000	0.000	0.000
26	A	81	GLY	0	-0.023	-0.009	20.099	-0.049	-0.049	0.000	0.000	0.000	0.000
27	A	82	ALA	0	-0.005	0.006	21.170	-0.046	-0.046	0.000	0.000	0.000	0.000
28	A	83	THR	0	0.019	0.000	21.621	0.021	0.021	0.000	0.000	0.000	0.000
29	A	84	ASN	0	-0.022	-0.025	23.323	0.001	0.001	0.000	0.000	0.000	0.000
30	A	85	ILE	0	0.030	0.039	17.448	-0.018	-0.018	0.000	0.000	0.000	0.000
31	A	86	GLU	-1	-0.800	-0.877	19.393	0.068	0.068	0.000	0.000	0.000	0.000
32	A	87	ILE	0	-0.045	-0.018	13.131	0.021	0.021	0.000	0.000	0.000	0.000
33	A	88	VAL	0	-0.011	-0.003	17.256	-0.049	-0.049	0.000	0.000	0.000	0.000
34	A	89	LYS	1	0.799	0.900	17.141	0.145	0.145	0.000	0.000	0.000	0.000
35	A	90	LYS	1	0.775	0.877	13.861	0.418	0.418	0.000	0.000	0.000	0.000
36	A	91	ASP	-1	-0.808	-0.858	18.976	-0.149	-0.149	0.000	0.000	0.000	0.000
37	A	92	GLY	0	-0.001	0.007	21.445	0.011	0.011	0.000	0.000	0.000	0.000
38	A	93	SER	0	-0.095	-0.065	21.757	0.024	0.024	0.000	0.000	0.000	0.000
39	A	94	THR	0	-0.001	-0.037	20.632	0.014	0.014	0.000	0.000	0.000	0.000
40	A	95	LEU	0	-0.016	-0.018	15.112	-0.035	-0.035	0.000	0.000	0.000	0.000
41	A	96	LYS	1	0.858	0.928	18.327	-0.030	-0.030	0.000	0.000	0.000	0.000
42	A	97	LEU	0	0.019	0.004	14.978	-0.012	-0.012	0.000	0.000	0.000	0.000
43	A	98	PRO	0	-0.053	-0.030	16.688	-0.027	-0.027	0.000	0.000	0.000	0.000
44	A	99	GLU	-1	-0.914	-0.935	19.645	0.151	0.151	0.000	0.000	0.000	0.000
45	A	100	VAL	0	-0.049	-0.029	19.446	-0.008	-0.008	0.000	0.000	0.000	0.000
46	A	101	PRO	0	-0.009	-0.003	21.156	0.016	0.016	0.000	0.000	0.000	0.000
47	A	102	PHE	0	0.014	0.018	13.095	0.008	0.008	0.000	0.000	0.000	0.000
48	A	103	PRO	0	-0.010	0.012	14.894	-0.028	-0.028	0.000	0.000	0.000	0.000
49	A	104	ASP	-1	-0.739	-0.845	16.479	0.859	0.859	0.000	0.000	0.000	0.000
50	A	105	PHE	0	-0.035	-0.026	11.617	0.059	0.059	0.000	0.000	0.000	0.000
51	A	106	SER	0	-0.030	-0.025	13.877	0.110	0.110	0.000	0.000	0.000	0.000
52	A	107	PRO	0	0.011	0.007	15.585	0.006	0.006	0.000	0.000	0.000	0.000
53	A	108	VAL	0	-0.040	-0.003	9.347	-0.034	-0.034	0.000	0.000	0.000	0.000
54	A	109	ALA	0	0.016	0.015	12.629	-0.036	-0.036	0.000	0.000	0.000	0.000
55	A	110	ASN	0	0.006	-0.025	11.136	0.384	0.384	0.000	0.000	0.000	0.000
56	A	111	LYN	0	0.024	0.036	9.568	0.168	0.168	0.000	0.000	0.000	0.000
57	A	112	GLY	0	0.024	0.004	7.037	0.441	0.441	0.000	0.000	0.000	0.000
58	A	113	SER	0	-0.030	-0.003	8.063	-0.170	-0.170	0.000	0.000	0.000	0.000
59	A	114	THR	0	-0.004	0.002	9.270	-0.322	-0.322	0.000	0.000	0.000	0.000
60	A	115	THR	0	-0.021	-0.007	12.307	0.224	0.224	0.000	0.000	0.000	0.000
61	A	116	SER	0	0.054	0.035	14.568	-0.138	-0.138	0.000	0.000	0.000	0.000
62	A	117	ILE	0	-0.032	-0.021	18.246	0.023	0.023	0.000	0.000	0.000	0.000
63	A	118	GLY	0	0.102	0.060	20.881	-0.047	-0.047	0.000	0.000	0.000	0.000
64	A	119	GLY	0	0.020	0.000	23.659	-0.014	-0.014	0.000	0.000	0.000	0.000
65	A	120	ALA	0	0.010	0.019	24.640	0.030	0.030	0.000	0.000	0.000	0.000
66	A	121	TYR	0	-0.020	-0.008	23.015	-0.025	-0.025	0.000	0.000	0.000	0.000
67	A	122	SER	0	-0.020	-0.028	17.496	0.027	0.027	0.000	0.000	0.000	0.000
68	A	123	ILE	0	-0.004	0.005	15.534	-0.071	-0.071	0.000	0.000	0.000	0.000
69	A	124	THR	0	0.044	-0.007	12.796	0.078	0.078	0.000	0.000	0.000	0.000
70	A	125	ALA	0	-0.026	0.020	13.035	-0.063	-0.063	0.000	0.000	0.000	0.000
71	A	126	THR	0	-0.020	-0.026	14.897	0.009	0.009	0.000	0.000	0.000	0.000
72	A	127	HIS	1	0.812	0.878	11.897	0.007	0.007	0.000	0.000	0.000	0.000
73	A	128	ASN	0	-0.059	-0.028	11.405	-0.153	-0.153	0.000	0.000	0.000	0.000
74	A	129	THR	0	0.000	-0.004	15.089	-0.014	-0.014	0.000	0.000	0.000	0.000
75	A	130	LYS	1	0.889	0.955	18.271	-0.164	-0.164	0.000	0.000	0.000	0.000
76	A	131	ASN	0	0.012	-0.015	20.689	0.032	0.032	0.000	0.000	0.000	0.000
77	A	132	HIS	0	0.016	0.032	12.037	0.025	0.025	0.000	0.000	0.000	0.000
78	A	133	HIS	1	0.851	0.903	11.778	-0.758	-0.758	0.000	0.000	0.000	0.000
79	A	134	SER	0	-0.017	-0.014	11.575	-0.021	-0.021	0.000	0.000	0.000	0.000
80	A	135	VAL	0	-0.005	0.015	14.218	0.066	0.066	0.000	0.000	0.000	0.000
81	A	136	ALA	0	0.047	0.016	16.609	-0.030	-0.030	0.000	0.000	0.000	0.000
82	A	137	THR	0	-0.046	-0.023	18.353	-0.061	-0.061	0.000	0.000	0.000	0.000
83	A	138	GLN	0	-0.001	0.017	16.394	0.107	0.107	0.000	0.000	0.000	0.000
84	A	139	ASN	0	-0.019	-0.024	15.793	-0.065	-0.065	0.000	0.000	0.000	0.000
85	A	140	TRP	0	0.026	0.011	15.632	0.103	0.103	0.000	0.000	0.000	0.000
86	A	141	GLY	0	0.012	0.022	16.970	-0.092	-0.092	0.000	0.000	0.000	0.000
87	A	142	ASN	0	-0.021	-0.031	18.580	0.052	0.052	0.000	0.000	0.000	0.000
88	A	143	SER	0	0.003	0.001	21.281	-0.060	-0.060	0.000	0.000	0.000	0.000
89	A	144	THR	0	-0.061	-0.042	20.169	0.081	0.081	0.000	0.000	0.000	0.000
90	A	145	TYR	0	-0.030	-0.017	20.198	-0.050	-0.050	0.000	0.000	0.000	0.000
91	A	146	LYS	1	0.872	0.923	21.127	-0.384	-0.384	0.000	0.000	0.000	0.000
92	A	147	GLN	0	0.013	0.036	20.391	0.002	0.002	0.000	0.000	0.000	0.000
93	A	148	THR	0	0.003	0.012	22.984	-0.029	-0.029	0.000	0.000	0.000	0.000
94	A	149	ASP	-1	-0.876	-0.938	25.155	0.178	0.178	0.000	0.000	0.000	0.000
95	A	150	TRP	0	0.062	0.033	18.140	0.032	0.032	0.000	0.000	0.000	0.000
96	A	151	ASN	0	-0.049	-0.020	23.738	-0.041	-0.041	0.000	0.000	0.000	0.000
97	A	152	THR	0	0.015	0.003	21.239	0.028	0.028	0.000	0.000	0.000	0.000
98	A	153	SER	0	-0.036	-0.020	22.472	-0.016	-0.016	0.000	0.000	0.000	0.000
99	A	154	HIS	0	0.022	0.032	22.062	0.013	0.013	0.000	0.000	0.000	0.000
100	A	155	PRO	0	-0.006	-0.008	18.897	0.014	0.014	0.000	0.000	0.000	0.000
101	A	156	ASP	-1	-0.742	-0.887	15.274	0.083	0.083	0.000	0.000	0.000	0.000
102	A	157	PHE	0	0.042	0.061	17.431	0.046	0.046	0.000	0.000	0.000	0.000
103	A	158	ALA	0	-0.006	0.003	17.618	-0.033	-0.033	0.000	0.000	0.000	0.000
104	A	159	VAL	0	0.015	0.000	18.592	0.056	0.056	0.000	0.000	0.000	0.000
105	A	160	SER	0	-0.016	-0.019	19.363	-0.023	-0.023	0.000	0.000	0.000	0.000
106	A	161	ARG	1	0.735	0.845	21.525	-0.264	-0.264	0.000	0.000	0.000	0.000
107	A	162	LEU	0	-0.064	-0.037	20.335	-0.003	-0.003	0.000	0.000	0.000	0.000
108	A	163	ASP	-1	-0.822	-0.912	24.229	0.348	0.348	0.000	0.000	0.000	0.000
109	A	164	LYS	1	0.818	0.899	25.704	-0.311	-0.311	0.000	0.000	0.000	0.000
110	A	165	PHE	0	-0.041	-0.023	25.192	0.028	0.028	0.000	0.000	0.000	0.000
111	A	166	VAL	0	0.021	0.005	20.135	0.000	0.000	0.000	0.000	0.000	0.000
112	A	167	VAL	0	-0.004	0.006	23.496	-0.010	-0.010	0.000	0.000	0.000	0.000
113	A	168	GLU	-1	-0.739	-0.817	20.032	0.535	0.535	0.000	0.000	0.000	0.000
114	A	169	THR	0	-0.035	-0.032	18.547	0.033	0.033	0.000	0.000	0.000	0.000
115	A	170	ARG	1	0.855	0.914	21.381	-0.454	-0.454	0.000	0.000	0.000	0.000
116	A	171	GLY	0	-0.024	-0.009	19.333	-0.027	-0.027	0.000	0.000	0.000	0.000
117	A	172	ALA	0	-0.011	-0.018	17.420	-0.025	-0.025	0.000	0.000	0.000	0.000
118	A	173	THR	0	-0.035	-0.026	19.529	-0.025	-0.025	0.000	0.000	0.000	0.000
119	A	174	GLU	-1	-0.837	-0.886	22.105	0.247	0.247	0.000	0.000	0.000	0.000
120	A	175	GLY	0	0.046	0.019	20.933	0.049	0.049	0.000	0.000	0.000	0.000
121	A	176	ALA	0	-0.030	-0.026	20.744	-0.020	-0.020	0.000	0.000	0.000	0.000
122	A	177	ASP	-1	-0.819	-0.893	22.558	0.125	0.125	0.000	0.000	0.000	0.000
123	A	178	ILE	0	-0.048	-0.042	21.455	-0.019	-0.019	0.000	0.000	0.000	0.000
124	A	179	SER	0	-0.106	-0.063	24.107	-0.025	-0.025	0.000	0.000	0.000	0.000
125	A	180	LEU	0	-0.021	0.007	26.117	-0.016	-0.016	0.000	0.000	0.000	0.000
126	A	181	SER	0	0.036	-0.001	26.185	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	182	LYN	0	0.037	0.042	22.184	0.020	0.020	0.000	0.000	0.000	0.000
128	A	183	GLN	0	0.029	0.022	25.470	0.015	0.015	0.000	0.000	0.000	0.000
129	A	184	GLN	0	0.046	0.031	28.187	0.008	0.008	0.000	0.000	0.000	0.000
130	A	185	ALA	0	0.042	0.033	22.889	0.016	0.016	0.000	0.000	0.000	0.000
131	A	186	LEU	0	-0.020	0.001	23.343	0.021	0.021	0.000	0.000	0.000	0.000
132	A	187	GLU	-1	-0.804	-0.884	25.001	0.126	0.126	0.000	0.000	0.000	0.000
133	A	188	ARG	1	0.785	0.869	25.697	-0.127	-0.127	0.000	0.000	0.000	0.000
134	A	189	TYR	0	0.002	-0.023	20.939	0.019	0.019	0.000	0.000	0.000	0.000
135	A	190	GLY	0	-0.011	0.017	21.115	0.016	0.016	0.000	0.000	0.000	0.000
136	A	191	VAL	0	-0.013	0.005	19.194	0.006	0.006	0.000	0.000	0.000	0.000
137	A	192	ASN	0	0.009	-0.008	22.322	-0.032	-0.032	0.000	0.000	0.000	0.000
138	A	193	TYR	0	-0.027	-0.064	16.721	0.043	0.043	0.000	0.000	0.000	0.000
139	A	194	LYS	1	0.766	0.850	18.142	0.114	0.114	0.000	0.000	0.000	0.000
140	A	195	GLY	0	0.027	0.022	23.048	-0.016	-0.016	0.000	0.000	0.000	0.000
141	A	196	GLU	-1	-0.889	-0.938	24.512	-0.009	-0.009	0.000	0.000	0.000	0.000
142	A	197	LYS	1	0.803	0.915	23.815	-0.091	-0.091	0.000	0.000	0.000	0.000
143	A	198	LYS	1	0.868	0.921	19.670	0.060	0.060	0.000	0.000	0.000	0.000
144	A	199	LEU	0	0.034	0.013	18.379	0.033	0.033	0.000	0.000	0.000	0.000
145	A	200	ILE	0	-0.048	-0.017	14.701	-0.042	-0.042	0.000	0.000	0.000	0.000
146	A	201	ALA	0	0.012	0.017	13.294	0.026	0.026	0.000	0.000	0.000	0.000
147	A	202	PHE	0	0.022	0.006	11.989	-0.024	-0.024	0.000	0.000	0.000	0.000
148	A	203	ARG	1	0.811	0.894	2.790	-6.527	-5.537	0.074	-0.472	-0.591	0.004
149	A	204	ALA	0	0.068	0.025	6.667	0.155	0.155	0.000	0.000	0.000	0.000
150	A	205	GLY	0	-0.014	-0.019	4.285	-1.389	-1.382	-0.001	-0.013	0.006	0.000
151	A	206	SER	0	0.045	0.020	3.056	0.554	1.760	0.205	-0.601	-0.811	0.005
152	A	207	GLY	0	-0.033	0.008	2.377	-5.631	-4.719	1.637	-0.946	-1.603	0.012
153	A	208	VAL	0	-0.034	-0.030	3.083	0.293	1.402	0.304	-0.475	-0.939	-0.004
154	A	209	VAL	0	0.027	0.024	2.436	-3.922	-2.796	0.998	-0.829	-1.296	-0.003
155	A	210	SER	0	-0.050	-0.025	3.587	1.613	1.865	0.008	0.001	-0.262	0.000
156	A	211	VAL	0	0.010	0.009	5.250	-1.079	-1.079	0.000	0.000	0.000	0.000
157	A	212	LYS	1	0.879	0.947	7.906	2.360	2.360	0.000	0.000	0.000	0.000
158	A	213	LYS	1	0.879	0.910	10.416	0.726	0.726	0.000	0.000	0.000	0.000
159	A	214	ASN	0	0.028	0.008	13.853	0.049	0.049	0.000	0.000	0.000	0.000
160	A	215	GLY	0	0.023	0.016	14.966	0.086	0.086	0.000	0.000	0.000	0.000
161	A	216	ARG	1	0.843	0.925	15.045	0.603	0.603	0.000	0.000	0.000	0.000
162	A	217	ILE	0	0.017	0.001	9.496	-0.103	-0.103	0.000	0.000	0.000	0.000
163	A	218	THR	0	-0.005	0.009	10.912	0.201	0.201	0.000	0.000	0.000	0.000
164	A	219	PRO	0	-0.010	-0.006	8.304	-0.390	-0.390	0.000	0.000	0.000	0.000
165	A	220	PHE	0	0.016	-0.005	7.355	0.465	0.465	0.000	0.000	0.000	0.000
166	A	221	ASN	0	0.028	-0.003	8.219	-0.012	-0.012	0.000	0.000	0.000	0.000
167	A	222	GLU	-1	-0.890	-0.933	9.215	-0.022	-0.022	0.000	0.000	0.000	0.000
168	A	223	VAL	0	-0.043	-0.010	6.277	0.287	0.287	0.000	0.000	0.000	0.000
169	A	224	SER	0	0.017	0.012	5.795	0.073	0.073	0.000	0.000	0.000	0.000
170	A	225	TYR	0	-0.016	-0.036	6.596	-0.598	-0.598	0.000	0.000	0.000	0.000
171	A	226	LYS	1	0.872	0.941	7.433	-1.389	-1.389	0.000	0.000	0.000	0.000
172	A	227	PRO	0	0.041	0.017	8.230	0.554	0.554	0.000	0.000	0.000	0.000
173	A	228	GLU	-1	-0.849	-0.928	10.135	1.368	1.368	0.000	0.000	0.000	0.000
174	A	229	MET	0	-0.022	0.011	5.526	-0.357	-0.357	0.000	0.000	0.000	0.000
175	A	230	LEU	0	-0.023	0.010	5.200	2.247	2.247	0.000	0.000	0.000	0.000
176	A	231	ASN	0	-0.003	-0.012	1.956	-11.053	-11.178	7.666	-3.459	-4.081	0.003
177	A	232	GLY	0	0.027	-0.004	5.242	1.447	1.543	-0.001	-0.004	-0.091	0.000
178	A	233	SER	0	-0.037	-0.024	6.270	-0.696	-0.696	0.000	0.000	0.000	0.000
179	A	234	PHE	0	0.019	0.021	8.395	0.185	0.185	0.000	0.000	0.000	0.000
180	A	235	VAL	0	-0.012	-0.010	8.106	-0.182	-0.182	0.000	0.000	0.000	0.000
181	A	236	HIS	0	0.058	0.028	11.478	0.085	0.085	0.000	0.000	0.000	0.000
182	A	237	ILE	0	-0.007	-0.010	13.568	-0.041	-0.041	0.000	0.000	0.000	0.000
183	A	238	ASP	-1	-0.812	-0.879	15.498	-0.309	-0.309	0.000	0.000	0.000	0.000
184	A	239	ASP	-1	-0.813	-0.907	16.960	-0.088	-0.088	0.000	0.000	0.000	0.000
185	A	240	TRP	0	-0.038	-0.025	17.700	0.031	0.031	0.000	0.000	0.000	0.000
186	A	241	SER	0	0.012	-0.049	20.245	0.020	0.020	0.000	0.000	0.000	0.000
187	A	242	GLY	0	0.037	0.035	22.045	0.006	0.006	0.000	0.000	0.000	0.000
188	A	243	TRP	0	-0.033	-0.030	19.857	0.018	0.018	0.000	0.000	0.000	0.000
189	A	244	LEU	0	-0.040	-0.014	16.083	0.021	0.021	0.000	0.000	0.000	0.000
190	A	245	ILE	0	0.013	0.025	14.764	-0.017	-0.017	0.000	0.000	0.000	0.000
191	A	246	LEU	0	-0.026	-0.016	13.609	-0.028	-0.028	0.000	0.000	0.000	0.000
192	A	247	THR	0	0.027	0.000	9.415	0.111	0.111	0.000	0.000	0.000	0.000
193	A	248	ASN	0	-0.050	-0.023	10.446	-0.284	-0.284	0.000	0.000	0.000	0.000
194	A	249	ASN	0	0.000	-0.026	5.061	0.175	0.175	0.000	0.000	0.000	0.000
195	A	250	GLN	0	-0.024	-0.028	8.068	-0.384	-0.384	0.000	0.000	0.000	0.000
196	A	251	PHE	0	-0.016	0.002	10.408	0.025	0.025	0.000	0.000	0.000	0.000
197	A	252	ASP	-1	-0.783	-0.851	13.254	-0.103	-0.103	0.000	0.000	0.000	0.000
198	A	253	GLU	-1	-0.774	-0.834	14.308	-0.266	-0.266	0.000	0.000	0.000	0.000
199	A	254	PHE	0	0.016	0.030	9.779	-0.119	-0.119	0.000	0.000	0.000	0.000
200	A	255	ASN	0	-0.023	-0.020	8.964	0.208	0.208	0.000	0.000	0.000	0.000
201	A	256	ASN	0	0.010	-0.019	2.775	-5.034	-3.539	0.854	-1.161	-1.189	-0.011
202	A	257	ILE	0	-0.055	-0.003	4.122	0.754	1.326	0.000	-0.252	-0.319	0.000
203	A	258	ALA	0	0.035	0.024	1.911	-7.918	-10.989	9.819	-3.921	-2.827	-0.036
204	A	259	SER	0	-0.019	-0.029	2.013	-1.732	0.050	2.974	-1.786	-2.970	-0.008
205	A	260	GLN	0	0.021	-0.011	3.653	1.648	1.757	0.001	0.038	-0.148	0.000
206	A	261	GLY	0	0.036	0.015	5.958	0.047	0.047	0.000	0.000	0.000	0.000
207	A	262	ASP	-1	-0.713	-0.834	2.154	-6.568	-5.729	5.818	-2.806	-3.851	-0.038
208	A	263	ALA	0	-0.014	0.006	5.153	0.180	0.198	-0.001	-0.001	-0.016	0.000
209	A	264	GLY	0	0.011	0.000	8.973	0.215	0.215	0.000	0.000	0.000	0.000
210	A	265	SER	0	-0.012	0.000	7.075	0.115	0.115	0.000	0.000	0.000	0.000
211	A	266	ALA	0	0.018	0.007	9.185	-0.271	-0.271	0.000	0.000	0.000	0.000
212	A	267	LEU	0	-0.042	-0.007	10.599	0.225	0.225	0.000	0.000	0.000	0.000
213	A	268	PHE	0	0.024	-0.001	11.643	-0.148	-0.148	0.000	0.000	0.000	0.000
214	A	269	VAL	0	0.019	-0.003	15.161	-0.028	-0.028	0.000	0.000	0.000	0.000
215	A	270	TYR	0	0.076	0.037	18.188	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	271	ASP	-1	-0.802	-0.903	21.283	0.180	0.180	0.000	0.000	0.000	0.000
217	A	272	ASN	0	0.020	-0.002	24.521	0.011	0.011	0.000	0.000	0.000	0.000
218	A	273	GLN	0	-0.060	-0.026	26.913	-0.005	-0.005	0.000	0.000	0.000	0.000
219	A	274	LYS	1	0.847	0.908	26.043	-0.248	-0.248	0.000	0.000	0.000	0.000
220	A	275	LYS	1	0.835	0.917	27.153	-0.195	-0.195	0.000	0.000	0.000	0.000
221	A	276	LYS	1	0.873	0.937	23.300	-0.353	-0.353	0.000	0.000	0.000	0.000
222	A	277	TRP	0	-0.021	-0.012	16.876	0.009	0.009	0.000	0.000	0.000	0.000
223	A	278	VAL	0	-0.045	-0.008	19.848	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	279	VAL	0	-0.014	-0.005	15.441	0.039	0.039	0.000	0.000	0.000	0.000
225	A	280	ALA	0	0.025	0.015	16.835	-0.064	-0.064	0.000	0.000	0.000	0.000
226	A	281	GLY	0	0.021	-0.003	16.032	-0.080	-0.080	0.000	0.000	0.000	0.000
227	A	282	THR	0	-0.044	-0.018	12.596	0.090	0.090	0.000	0.000	0.000	0.000
228	A	283	VAL	0	-0.050	-0.009	7.481	-0.159	-0.159	0.000	0.000	0.000	0.000
229	A	284	TRP	0	0.044	0.022	10.692	-0.023	-0.023	0.000	0.000	0.000	0.000
230	A	285	GLY	0	-0.031	-0.034	10.303	-0.026	-0.026	0.000	0.000	0.000	0.000
231	A	286	ILE	0	-0.056	-0.017	5.925	0.012	0.012	0.000	0.000	0.000	0.000
232	A	287	TYR	0	0.008	0.021	10.014	0.073	0.073	0.000	0.000	0.000	0.000
233	A	288	ASN	0	0.012	0.002	10.101	-0.240	-0.240	0.000	0.000	0.000	0.000
234	A	289	TYR	0	-0.011	-0.018	13.343	0.109	0.109	0.000	0.000	0.000	0.000
235	A	290	ALA	0	0.040	0.019	16.588	-0.056	-0.056	0.000	0.000	0.000	0.000
236	A	291	ASN	0	-0.028	-0.028	18.556	0.025	0.025	0.000	0.000	0.000	0.000
237	A	292	GLY	0	0.056	0.045	14.532	0.003	0.003	0.000	0.000	0.000	0.000
238	A	293	LYS	1	0.877	0.936	13.069	0.375	0.375	0.000	0.000	0.000	0.000
239	A	294	ASN	0	-0.006	-0.033	7.946	-0.035	-0.035	0.000	0.000	0.000	0.000
240	A	295	HIS	0	0.008	0.006	10.744	0.107	0.107	0.000	0.000	0.000	0.000
241	A	296	ALA	0	0.013	0.032	7.090	-0.179	-0.179	0.000	0.000	0.000	0.000
242	A	297	ALA	0	0.021	0.001	9.073	0.144	0.144	0.000	0.000	0.000	0.000
243	A	298	TYR	0	-0.032	-0.028	8.953	0.144	0.144	0.000	0.000	0.000	0.000
244	A	299	SER	0	0.036	0.017	13.809	-0.063	-0.063	0.000	0.000	0.000	0.000
245	A	300	LYS	1	0.832	0.916	16.870	0.017	0.017	0.000	0.000	0.000	0.000
246	A	301	TRP	0	0.010	-0.003	18.757	0.013	0.013	0.000	0.000	0.000	0.000
247	A	302	ASN	0	0.038	0.035	20.300	-0.031	-0.031	0.000	0.000	0.000	0.000
248	A	303	GLN	0	0.036	0.003	23.377	0.024	0.024	0.000	0.000	0.000	0.000
249	A	304	THR	0	-0.001	-0.007	25.756	-0.002	-0.002	0.000	0.000	0.000	0.000
250	A	305	THR	0	0.004	0.001	23.472	-0.010	-0.010	0.000	0.000	0.000	0.000
251	A	306	ILE	0	0.038	0.021	21.436	0.005	0.005	0.000	0.000	0.000	0.000
252	A	307	ASP	-1	-0.753	-0.860	25.309	0.231	0.231	0.000	0.000	0.000	0.000
253	A	308	ASN	0	-0.052	-0.030	28.944	-0.014	-0.014	0.000	0.000	0.000	0.000
254	A	309	LEU	0	-0.052	-0.007	25.025	-0.010	-0.010	0.000	0.000	0.000	0.000
255	A	310	LYS	1	0.932	0.949	25.944	-0.281	-0.281	0.000	0.000	0.000	0.000
256	A	311	ASN	0	-0.027	-0.012	29.388	-0.011	-0.011	0.000	0.000	0.000	0.000
257	A	312	LYS	1	0.836	0.924	28.776	-0.191	-0.191	0.000	0.000	0.000	0.000
258	A	313	TYR	0	-0.065	-0.060	28.264	-0.009	-0.009	0.000	0.000	0.000	0.000
259	A	314	SER	0	-0.004	0.000	31.995	0.008	0.008	0.000	0.000	0.000	0.000
260	A	315	TYR	0	-0.077	-0.064	34.500	-0.009	-0.009	0.000	0.000	0.000	0.000
261	A	316	ASN	0	0.013	0.011	38.115	0.009	0.009	0.000	0.000	0.000	0.000
262	A	317	VAL	0	0.006	-0.006	40.161	-0.006	-0.006	0.000	0.000	0.000	0.000
263	A	318	ASP	-1	-0.807	-0.867	43.327	0.112	0.112	0.000	0.000	0.000	0.000
264	A	319	MET	0	-0.010	-0.016	45.177	-0.004	-0.004	0.000	0.000	0.000	0.000
265	A	320	SER	0	-0.068	-0.044	48.369	-0.003	-0.003	0.000	0.000	0.000	0.000
266	A	321	GLY	0	-0.030	-0.025	50.141	-0.004	-0.004	0.000	0.000	0.000	0.000
267	A	322	ALA	0	-0.072	-0.022	51.000	-0.003	-0.003	0.000	0.000	0.000	0.000
268	A	323	GLN	0	0.028	0.015	51.320	0.005	0.005	0.000	0.000	0.000	0.000
269	A	324	VAL	0	-0.017	-0.013	50.771	0.003	0.003	0.000	0.000	0.000	0.000
270	A	325	ALA	0	0.063	0.034	46.215	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	326	THR	0	-0.054	-0.015	47.848	0.003	0.003	0.000	0.000	0.000	0.000
272	A	327	ILE	0	-0.012	-0.008	43.086	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	328	GLU	-1	-0.827	-0.905	47.178	0.089	0.089	0.000	0.000	0.000	0.000
274	A	329	ASN	0	-0.042	-0.036	46.457	0.000	0.000	0.000	0.000	0.000	0.000
275	A	330	GLY	0	0.002	0.001	43.511	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	331	LYS	1	0.928	0.982	44.303	-0.086	-0.086	0.000	0.000	0.000	0.000
277	A	332	LEU	0	-0.017	0.004	44.298	0.003	0.003	0.000	0.000	0.000	0.000
278	A	333	THR	0	-0.018	-0.026	46.846	-0.005	-0.005	0.000	0.000	0.000	0.000
279	A	334	GLY	0	0.016	0.007	50.246	0.003	0.003	0.000	0.000	0.000	0.000
280	A	335	THR	0	-0.043	-0.049	47.139	0.003	0.003	0.000	0.000	0.000	0.000
281	A	336	GLY	0	0.013	0.008	48.876	-0.004	-0.004	0.000	0.000	0.000	0.000
282	A	337	SER	0	-0.059	-0.045	44.729	0.002	0.002	0.000	0.000	0.000	0.000
283	A	338	ASP	-1	-0.758	-0.830	45.906	0.099	0.099	0.000	0.000	0.000	0.000
284	A	339	THR	0	-0.018	-0.012	43.487	-0.004	-0.004	0.000	0.000	0.000	0.000
285	A	340	THR	0	-0.030	-0.029	46.254	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	341	ASP	-1	-0.916	-0.952	40.694	0.119	0.119	0.000	0.000	0.000	0.000
287	A	342	ILE	0	-0.081	-0.022	38.314	-0.003	-0.003	0.000	0.000	0.000	0.000
288	A	343	LYS	1	0.875	0.914	36.649	-0.157	-0.157	0.000	0.000	0.000	0.000
289	A	344	ASN	0	-0.059	-0.021	32.846	0.008	0.008	0.000	0.000	0.000	0.000
290	A	345	LYS	1	0.892	0.935	33.139	-0.147	-0.147	0.000	0.000	0.000	0.000
291	A	346	ASP	-1	-0.765	-0.847	30.945	0.248	0.248	0.000	0.000	0.000	0.000
292	A	347	LEU	0	0.004	0.006	34.404	-0.008	-0.008	0.000	0.000	0.000	0.000
293	A	348	ILE	0	-0.039	-0.014	34.110	0.007	0.007	0.000	0.000	0.000	0.000
294	A	349	PHE	0	0.037	0.008	38.039	-0.010	-0.010	0.000	0.000	0.000	0.000
295	A	350	THR	0	-0.033	-0.024	40.782	0.008	0.008	0.000	0.000	0.000	0.000
296	A	351	GLY	0	0.025	0.007	43.367	-0.005	-0.005	0.000	0.000	0.000	0.000
297	A	352	GLY	0	-0.004	-0.017	45.663	-0.004	-0.004	0.000	0.000	0.000	0.000
298	A	353	GLY	0	0.025	0.018	47.018	-0.003	-0.003	0.000	0.000	0.000	0.000
299	A	354	ASP	-1	-0.860	-0.913	48.151	0.112	0.112	0.000	0.000	0.000	0.000
300	A	355	ILE	0	0.016	0.005	42.738	0.000	0.000	0.000	0.000	0.000	0.000
301	A	356	LEU	0	-0.030	-0.013	46.982	0.001	0.001	0.000	0.000	0.000	0.000
302	A	357	LEU	0	-0.005	0.003	43.403	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	358	LYS	1	0.813	0.874	47.766	-0.093	-0.093	0.000	0.000	0.000	0.000
304	A	359	SER	0	0.009	0.010	46.187	-0.005	-0.005	0.000	0.000	0.000	0.000
305	A	360	SER	0	0.010	0.008	43.348	0.004	0.004	0.000	0.000	0.000	0.000
306	A	361	PHE	0	-0.007	0.004	39.896	-0.004	-0.004	0.000	0.000	0.000	0.000
307	A	362	ASP	-1	-0.752	-0.866	36.551	0.183	0.183	0.000	0.000	0.000	0.000
308	A	363	ASN	0	-0.021	-0.018	36.114	-0.014	-0.014	0.000	0.000	0.000	0.000
309	A	364	GLY	0	0.024	0.011	34.235	0.002	0.002	0.000	0.000	0.000	0.000
310	A	365	ALA	0	-0.015	-0.012	29.414	0.010	0.010	0.000	0.000	0.000	0.000
311	A	366	GLY	0	0.017	0.034	30.367	0.015	0.015	0.000	0.000	0.000	0.000
312	A	367	GLY	0	-0.009	-0.010	32.817	0.000	0.000	0.000	0.000	0.000	0.000
313	A	368	LEU	0	-0.025	-0.015	33.594	-0.015	-0.015	0.000	0.000	0.000	0.000
314	A	369	VAL	0	-0.001	0.002	33.350	0.012	0.012	0.000	0.000	0.000	0.000
315	A	370	PHE	0	0.017	0.018	36.015	-0.013	-0.013	0.000	0.000	0.000	0.000
316	A	371	ASN	0	0.049	0.023	35.741	0.019	0.019	0.000	0.000	0.000	0.000
317	A	372	ASP	-1	-0.790	-0.868	38.263	0.133	0.133	0.000	0.000	0.000	0.000
318	A	373	LYS	1	1.001	1.018	41.191	-0.128	-0.128	0.000	0.000	0.000	0.000
319	A	374	LYS	1	0.812	0.901	42.814	-0.130	-0.130	0.000	0.000	0.000	0.000
320	A	375	THR	0	0.034	0.011	43.817	0.008	0.008	0.000	0.000	0.000	0.000
321	A	376	TYR	0	-0.042	-0.025	42.566	-0.006	-0.006	0.000	0.000	0.000	0.000
322	A	377	ARG	1	0.825	0.905	45.288	-0.108	-0.108	0.000	0.000	0.000	0.000
323	A	378	VAL	0	0.009	0.012	42.163	-0.003	-0.003	0.000	0.000	0.000	0.000
324	A	379	ASN	0	0.024	0.005	45.591	0.002	0.002	0.000	0.000	0.000	0.000
325	A	380	GLY	0	0.065	0.012	48.009	0.001	0.001	0.000	0.000	0.000	0.000
326	A	381	ASP	-1	-0.902	-0.934	48.768	0.101	0.101	0.000	0.000	0.000	0.000
327	A	382	ASP	-1	-0.820	-0.891	47.995	0.128	0.128	0.000	0.000	0.000	0.000
328	A	383	PHE	0	-0.023	0.001	46.318	0.003	0.003	0.000	0.000	0.000	0.000
329	A	384	THR	0	-0.054	-0.037	41.335	0.005	0.005	0.000	0.000	0.000	0.000
330	A	385	PHE	0	0.010	0.003	35.644	-0.004	-0.004	0.000	0.000	0.000	0.000
331	A	386	LYS	1	0.846	0.911	33.512	-0.202	-0.202	0.000	0.000	0.000	0.000
332	A	387	GLY	0	0.039	0.018	33.796	-0.011	-0.011	0.000	0.000	0.000	0.000
333	A	388	ALA	0	0.006	0.004	29.296	0.013	0.013	0.000	0.000	0.000	0.000
334	A	389	GLY	0	0.005	0.000	29.711	0.024	0.024	0.000	0.000	0.000	0.000
335	A	390	VAL	0	-0.031	-0.026	32.204	-0.016	-0.016	0.000	0.000	0.000	0.000
336	A	391	ASP	-1	-0.816	-0.901	31.220	0.284	0.284	0.000	0.000	0.000	0.000
337	A	392	THR	0	-0.006	-0.011	33.189	-0.014	-0.014	0.000	0.000	0.000	0.000
338	A	393	ARG	1	0.866	0.933	31.174	-0.233	-0.233	0.000	0.000	0.000	0.000
339	A	394	ASN	0	-0.068	-0.026	35.173	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	395	GLY	0	0.012	-0.007	37.350	-0.013	-0.013	0.000	0.000	0.000	0.000
341	A	396	SER	0	-0.101	-0.049	37.993	-0.008	-0.008	0.000	0.000	0.000	0.000
342	A	397	THR	0	-0.003	-0.012	39.815	0.008	0.008	0.000	0.000	0.000	0.000
343	A	398	VAL	0	-0.022	-0.012	39.334	-0.008	-0.008	0.000	0.000	0.000	0.000
344	A	399	GLU	-1	-0.817	-0.899	41.983	0.129	0.129	0.000	0.000	0.000	0.000
345	A	400	TRP	0	-0.037	-0.036	38.953	-0.002	-0.002	0.000	0.000	0.000	0.000
346	A	401	ASN	0	0.011	-0.010	43.585	0.002	0.002	0.000	0.000	0.000	0.000
347	A	402	ILE	0	-0.009	0.024	41.757	-0.006	-0.006	0.000	0.000	0.000	0.000
348	A	403	ARG	1	0.847	0.912	42.451	-0.133	-0.133	0.000	0.000	0.000	0.000
349	A	404	TYR	0	-0.008	-0.023	33.401	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	405	ASP	-1	-0.796	-0.898	36.717	0.176	0.176	0.000	0.000	0.000	0.000
351	A	406	ASN	0	0.022	0.006	37.287	0.003	0.003	0.000	0.000	0.000	0.000
352	A	407	LYS	1	0.835	0.919	36.017	-0.152	-0.152	0.000	0.000	0.000	0.000
353	A	408	ASP	-1	-0.820	-0.884	31.195	0.269	0.269	0.000	0.000	0.000	0.000
354	A	409	ASN	0	0.003	0.000	28.601	-0.024	-0.024	0.000	0.000	0.000	0.000
355	A	410	LEU	0	0.026	0.027	31.868	0.004	0.004	0.000	0.000	0.000	0.000
356	A	411	HIS	0	-0.016	-0.028	25.564	-0.003	-0.003	0.000	0.000	0.000	0.000
357	A	412	LYS	1	0.752	0.872	30.380	-0.270	-0.270	0.000	0.000	0.000	0.000
358	A	413	ILE	0	-0.003	-0.001	26.948	0.021	0.021	0.000	0.000	0.000	0.000
359	A	414	GLY	0	0.044	0.033	29.853	-0.023	-0.023	0.000	0.000	0.000	0.000
360	A	415	ASP	-1	-0.789	-0.914	31.773	0.220	0.220	0.000	0.000	0.000	0.000
361	A	416	GLY	0	0.008	0.013	33.698	-0.009	-0.009	0.000	0.000	0.000	0.000
362	A	417	THR	0	0.007	0.005	36.355	0.011	0.011	0.000	0.000	0.000	0.000
363	A	418	LEU	0	-0.014	-0.004	36.173	-0.006	-0.006	0.000	0.000	0.000	0.000
364	A	419	ASP	-1	-0.831	-0.900	39.086	0.151	0.151	0.000	0.000	0.000	0.000
365	A	420	VAL	0	-0.019	-0.006	39.878	-0.006	-0.006	0.000	0.000	0.000	0.000
366	A	421	ARG	1	0.777	0.847	42.992	-0.138	-0.138	0.000	0.000	0.000	0.000
367	A	422	LYS	1	0.842	0.935	45.392	-0.129	-0.129	0.000	0.000	0.000	0.000
368	A	423	THR	0	-0.017	-0.011	44.325	0.006	0.006	0.000	0.000	0.000	0.000
369	A	424	GLN	0	-0.024	-0.028	39.861	0.002	0.002	0.000	0.000	0.000	0.000
370	A	425	ASN	0	-0.027	-0.019	41.691	0.001	0.001	0.000	0.000	0.000	0.000
371	A	426	THR	0	0.001	-0.001	36.564	0.002	0.002	0.000	0.000	0.000	0.000
372	A	427	ASN	0	-0.011	0.011	32.097	-0.015	-0.015	0.000	0.000	0.000	0.000
373	A	428	LEU	0	0.009	0.011	32.821	-0.003	-0.003	0.000	0.000	0.000	0.000
374	A	429	LYS	1	0.765	0.887	25.177	-0.398	-0.398	0.000	0.000	0.000	0.000
375	A	430	THR	0	0.008	-0.017	29.358	-0.006	-0.006	0.000	0.000	0.000	0.000
376	A	431	GLY	0	0.055	0.020	26.806	0.016	0.016	0.000	0.000	0.000	0.000
377	A	432	GLU	-1	-0.832	-0.911	27.559	0.358	0.358	0.000	0.000	0.000	0.000
378	A	433	GLY	0	0.031	0.049	30.026	-0.015	-0.015	0.000	0.000	0.000	0.000
379	A	434	LEU	0	-0.066	-0.034	33.680	0.003	0.003	0.000	0.000	0.000	0.000
380	A	435	VAL	0	-0.012	-0.014	34.691	0.000	0.000	0.000	0.000	0.000	0.000
381	A	436	ILE	0	-0.010	-0.003	37.512	0.000	0.000	0.000	0.000	0.000	0.000
382	A	437	LEU	0	-0.008	-0.010	38.396	0.000	0.000	0.000	0.000	0.000	0.000
383	A	438	GLY	0	0.035	0.018	42.402	-0.005	-0.005	0.000	0.000	0.000	0.000
384	A	439	ALA	0	-0.007	0.000	45.262	-0.008	-0.008	0.000	0.000	0.000	0.000
385	A	440	GLU	-1	-0.869	-0.908	45.434	0.123	0.123	0.000	0.000	0.000	0.000
386	A	441	LYS	1	0.888	0.944	41.727	-0.153	-0.153	0.000	0.000	0.000	0.000
387	A	442	THR	0	-0.036	-0.022	40.594	0.003	0.003	0.000	0.000	0.000	0.000
388	A	443	PHE	0	0.022	0.002	37.092	0.002	0.002	0.000	0.000	0.000	0.000
389	A	444	ASN	0	-0.037	-0.020	37.368	-0.012	-0.012	0.000	0.000	0.000	0.000
390	A	445	ASN	0	-0.028	-0.016	33.364	-0.005	-0.005	0.000	0.000	0.000	0.000
391	A	446	ILE	0	0.017	0.005	33.027	-0.001	-0.001	0.000	0.000	0.000	0.000
392	A	447	TYR	0	-0.075	-0.047	22.911	0.008	0.008	0.000	0.000	0.000	0.000
393	A	448	ILE	0	-0.003	0.001	28.911	-0.002	-0.002	0.000	0.000	0.000	0.000
394	A	449	THR	0	-0.010	-0.007	22.799	0.031	0.031	0.000	0.000	0.000	0.000
395	A	450	SER	0	-0.008	0.003	22.816	-0.027	-0.027	0.000	0.000	0.000	0.000
396	A	451	GLY	0	0.059	0.044	23.771	0.012	0.012	0.000	0.000	0.000	0.000
397	A	452	ASP	-1	-0.888	-0.931	26.071	0.370	0.370	0.000	0.000	0.000	0.000
398	A	453	GLY	0	-0.010	0.004	28.789	-0.019	-0.019	0.000	0.000	0.000	0.000
399	A	454	THR	0	-0.038	-0.024	31.044	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	455	VAL	0	-0.002	-0.005	33.915	-0.004	-0.004	0.000	0.000	0.000	0.000
401	A	456	ARG	1	0.863	0.929	36.602	-0.169	-0.169	0.000	0.000	0.000	0.000
402	A	457	LEU	0	0.009	0.011	40.395	-0.002	-0.002	0.000	0.000	0.000	0.000
403	A	458	ASN	0	-0.046	-0.041	43.137	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	459	ALA	0	0.028	0.030	46.178	-0.005	-0.005	0.000	0.000	0.000	0.000
405	A	460	GLU	-1	-0.870	-0.944	47.402	0.120	0.120	0.000	0.000	0.000	0.000
406	A	461	ASN	0	-0.049	-0.043	47.192	0.004	0.004	0.000	0.000	0.000	0.000
407	A	462	ALA	0	0.013	0.019	43.578	0.003	0.003	0.000	0.000	0.000	0.000
408	A	463	LEU	0	-0.025	0.000	38.813	0.008	0.008	0.000	0.000	0.000	0.000
409	A	464	SER	0	0.001	-0.016	38.598	-0.008	-0.008	0.000	0.000	0.000	0.000
410	A	465	GLY	0	0.031	0.018	40.851	-0.004	-0.004	0.000	0.000	0.000	0.000
411	A	466	GLY	0	-0.024	-0.014	39.493	0.009	0.009	0.000	0.000	0.000	0.000
412	A	467	GLU	-1	-0.817	-0.897	35.680	0.185	0.185	0.000	0.000	0.000	0.000
413	A	468	TYR	0	0.019	-0.024	33.562	0.005	0.005	0.000	0.000	0.000	0.000
414	A	469	ASN	0	-0.013	-0.009	36.598	0.009	0.009	0.000	0.000	0.000	0.000
415	A	470	GLY	0	0.034	0.034	36.047	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	471	ILE	0	-0.019	-0.011	33.260	0.012	0.012	0.000	0.000	0.000	0.000
417	A	472	PHE	0	-0.018	-0.009	28.820	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	473	PHE	0	0.003	0.001	28.200	0.008	0.008	0.000	0.000	0.000	0.000
419	A	474	ALA	0	0.020	-0.002	22.792	0.008	0.008	0.000	0.000	0.000	0.000
420	A	475	LYS	1	0.914	0.947	17.380	-0.783	-0.783	0.000	0.000	0.000	0.000
421	A	476	ASN	0	-0.025	-0.027	21.199	0.064	0.064	0.000	0.000	0.000	0.000
422	A	477	GLY	0	-0.002	0.010	23.914	-0.033	-0.033	0.000	0.000	0.000	0.000
423	A	478	GLY	0	0.042	0.017	26.949	0.012	0.012	0.000	0.000	0.000	0.000
424	A	479	THR	0	-0.037	-0.018	29.941	-0.013	-0.013	0.000	0.000	0.000	0.000
425	A	480	LEU	0	-0.014	-0.002	33.744	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	481	ASP	-1	-0.721	-0.851	36.485	0.157	0.157	0.000	0.000	0.000	0.000
427	A	482	LEU	0	0.030	-0.008	39.984	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	483	ASN	0	-0.058	-0.033	42.988	-0.010	-0.010	0.000	0.000	0.000	0.000
429	A	484	GLY	0	0.036	0.020	45.310	-0.005	-0.005	0.000	0.000	0.000	0.000
430	A	485	TYR	0	-0.071	-0.019	46.010	-0.007	-0.007	0.000	0.000	0.000	0.000
431	A	486	ASN	0	0.049	0.017	46.110	0.006	0.006	0.000	0.000	0.000	0.000
432	A	487	GLN	0	-0.006	-0.010	41.972	0.008	0.008	0.000	0.000	0.000	0.000
433	A	488	SER	0	-0.032	-0.014	43.928	-0.007	-0.007	0.000	0.000	0.000	0.000
434	A	489	PHE	0	0.025	0.035	37.412	0.001	0.001	0.000	0.000	0.000	0.000
435	A	490	ASN	0	-0.038	-0.014	39.930	-0.010	-0.010	0.000	0.000	0.000	0.000
436	A	491	LYS	1	0.826	0.904	34.289	-0.198	-0.198	0.000	0.000	0.000	0.000
437	A	492	ILE	0	0.059	0.036	33.173	0.000	0.000	0.000	0.000	0.000	0.000
438	A	493	ALA	0	-0.010	0.011	30.196	0.007	0.007	0.000	0.000	0.000	0.000
439	A	494	ALA	0	0.015	-0.001	29.013	0.016	0.016	0.000	0.000	0.000	0.000
440	A	495	THR	0	-0.027	-0.006	23.126	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	496	ASP	-1	-0.793	-0.890	23.313	0.488	0.488	0.000	0.000	0.000	0.000
442	A	497	SER	0	0.064	0.022	25.709	-0.012	-0.012	0.000	0.000	0.000	0.000
443	A	498	GLY	0	-0.007	0.008	26.576	-0.022	-0.022	0.000	0.000	0.000	0.000
444	A	499	ALA	0	-0.025	-0.004	27.748	-0.008	-0.008	0.000	0.000	0.000	0.000
445	A	500	VAL	0	-0.010	0.005	30.010	-0.017	-0.017	0.000	0.000	0.000	0.000
446	A	501	ILE	0	0.014	0.015	33.585	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	502	THR	0	-0.005	-0.011	37.006	-0.008	-0.008	0.000	0.000	0.000	0.000
448	A	503	ASN	0	0.009	0.000	39.847	0.001	0.001	0.000	0.000	0.000	0.000
449	A	504	THR	0	-0.056	-0.049	41.372	-0.005	-0.005	0.000	0.000	0.000	0.000
450	A	505	SER	0	0.011	0.029	44.195	-0.007	-0.007	0.000	0.000	0.000	0.000
451	A	506	THR	0	0.018	0.003	47.718	0.000	0.000	0.000	0.000	0.000	0.000
452	A	507	LYS	1	0.859	0.942	50.917	-0.114	-0.114	0.000	0.000	0.000	0.000
453	A	508	LYS	1	0.851	0.924	49.153	-0.100	-0.100	0.000	0.000	0.000	0.000
454	A	509	SER	0	-0.036	-0.022	46.374	0.001	0.001	0.000	0.000	0.000	0.000
455	A	510	ILE	0	0.011	-0.002	47.320	0.000	0.000	0.000	0.000	0.000	0.000
456	A	511	LEU	0	0.024	0.012	39.634	0.003	0.003	0.000	0.000	0.000	0.000
457	A	512	SER	0	0.010	0.003	44.230	-0.002	-0.002	0.000	0.000	0.000	0.000
458	A	513	LEU	0	-0.002	0.004	39.292	0.009	0.009	0.000	0.000	0.000	0.000
459	A	514	ASN	0	-0.013	-0.012	42.395	-0.004	-0.004	0.000	0.000	0.000	0.000
460	A	515	ASN	0	-0.007	-0.008	38.972	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	516	THR	0	-0.004	-0.023	40.647	-0.008	-0.008	0.000	0.000	0.000	0.000
462	A	517	ALA	0	-0.021	-0.006	38.462	-0.007	-0.007	0.000	0.000	0.000	0.000
463	A	518	ASP	-1	-0.791	-0.855	36.659	0.134	0.134	0.000	0.000	0.000	0.000
464	A	519	TYR	0	-0.033	-0.038	32.934	0.004	0.004	0.000	0.000	0.000	0.000
465	A	520	ILE	0	0.008	0.002	30.212	-0.007	-0.007	0.000	0.000	0.000	0.000
466	A	521	TYR	0	-0.039	-0.024	31.764	0.024	0.024	0.000	0.000	0.000	0.000
467	A	522	HIS	1	0.796	0.848	27.111	-0.304	-0.304	0.000	0.000	0.000	0.000
468	A	523	GLY	0	0.036	0.040	29.809	0.013	0.013	0.000	0.000	0.000	0.000
469	A	524	ASN	0	-0.036	-0.022	31.457	-0.027	-0.027	0.000	0.000	0.000	0.000
470	A	525	ILE	0	-0.004	0.014	34.422	0.002	0.002	0.000	0.000	0.000	0.000
471	A	526	ASN	0	0.048	0.009	36.396	-0.006	-0.006	0.000	0.000	0.000	0.000
472	A	527	GLY	0	0.038	0.023	39.881	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	528	ASN	0	-0.047	-0.046	43.035	-0.007	-0.007	0.000	0.000	0.000	0.000
474	A	529	LEU	0	-0.013	-0.013	41.526	-0.002	-0.002	0.000	0.000	0.000	0.000
475	A	530	ASP	-1	-0.747	-0.841	45.755	0.108	0.108	0.000	0.000	0.000	0.000
476	A	531	VAL	0	-0.026	-0.023	42.209	0.005	0.005	0.000	0.000	0.000	0.000
477	A	532	LEU	0	0.004	-0.001	45.273	-0.006	-0.006	0.000	0.000	0.000	0.000
478	A	533	GLN	0	-0.028	0.001	41.910	0.002	0.002	0.000	0.000	0.000	0.000
479	A	534	HIS	0	0.017	0.001	46.475	-0.007	-0.007	0.000	0.000	0.000	0.000
480	A	535	HIS	0	-0.003	0.004	45.034	0.000	0.000	0.000	0.000	0.000	0.000
481	A	536	GLU	-1	-0.837	-0.908	50.421	0.079	0.079	0.000	0.000	0.000	0.000
482	A	537	THR	0	-0.064	-0.044	52.376	-0.003	-0.003	0.000	0.000	0.000	0.000
483	A	538	LYS	1	0.869	0.935	48.925	-0.077	-0.077	0.000	0.000	0.000	0.000
484	A	539	LYS	1	0.845	0.911	47.778	-0.085	-0.085	0.000	0.000	0.000	0.000
485	A	540	GLU	-1	-0.823	-0.896	44.160	0.093	0.093	0.000	0.000	0.000	0.000
486	A	541	ASN	0	-0.070	-0.038	40.929	0.003	0.003	0.000	0.000	0.000	0.000
487	A	542	ARG	1	0.930	0.965	40.924	-0.098	-0.098	0.000	0.000	0.000	0.000
488	A	543	ARG	1	0.885	0.952	39.304	-0.112	-0.112	0.000	0.000	0.000	0.000
489	A	544	LEU	0	-0.017	0.002	37.020	0.009	0.009	0.000	0.000	0.000	0.000
490	A	545	ILE	0	-0.046	-0.025	34.234	-0.007	-0.007	0.000	0.000	0.000	0.000
491	A	546	LEU	0	-0.003	0.002	35.072	0.013	0.013	0.000	0.000	0.000	0.000
492	A	547	ASP	-1	-0.778	-0.867	29.150	0.252	0.252	0.000	0.000	0.000	0.000
493	A	548	GLY	0	0.024	0.024	30.610	0.017	0.017	0.000	0.000	0.000	0.000
494	A	549	GLY	0	-0.014	-0.018	31.939	-0.007	-0.007	0.000	0.000	0.000	0.000
495	A	550	VAL	0	-0.068	-0.037	35.202	0.002	0.002	0.000	0.000	0.000	0.000
496	A	551	ASP	-1	-0.837	-0.895	38.562	0.150	0.150	0.000	0.000	0.000	0.000
497	A	552	THR	0	0.005	0.003	40.438	0.000	0.000	0.000	0.000	0.000	0.000
498	A	553	THR	0	-0.010	-0.004	43.991	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	554	ASN	0	-0.056	-0.021	46.820	-0.010	-0.010	0.000	0.000	0.000	0.000
500	A	555	ASP	-1	-0.759	-0.861	47.446	0.099	0.099	0.000	0.000	0.000	0.000
501	A	556	ILE	0	-0.014	-0.004	43.154	0.006	0.006	0.000	0.000	0.000	0.000
502	A	557	SER	0	-0.004	0.012	47.142	-0.006	-0.006	0.000	0.000	0.000	0.000
503	A	558	LEU	0	-0.008	-0.003	44.780	0.004	0.004	0.000	0.000	0.000	0.000
504	A	559	ARG	1	0.852	0.901	48.675	-0.088	-0.088	0.000	0.000	0.000	0.000
505	A	560	ASN	0	-0.037	-0.019	50.126	0.000	0.000	0.000	0.000	0.000	0.000
506	A	561	THR	0	-0.009	-0.041	44.862	0.002	0.002	0.000	0.000	0.000	0.000
507	A	562	GLN	0	-0.051	-0.036	43.318	0.001	0.001	0.000	0.000	0.000	0.000
508	A	563	LEU	0	0.011	0.017	40.533	0.006	0.006	0.000	0.000	0.000	0.000
509	A	564	SER	0	0.016	0.008	37.786	-0.009	-0.009	0.000	0.000	0.000	0.000
510	A	565	MET	0	-0.024	0.015	37.631	0.008	0.008	0.000	0.000	0.000	0.000
511	A	566	GLN	0	-0.013	-0.020	31.234	-0.021	-0.021	0.000	0.000	0.000	0.000
512	A	567	GLY	0	0.086	0.036	31.805	0.007	0.007	0.000	0.000	0.000	0.000
513	A	568	HIS	1	0.746	0.862	24.309	-0.335	-0.335	0.000	0.000	0.000	0.000
514	A	569	ALA	0	0.023	0.008	25.537	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	570	THR	0	-0.029	-0.039	20.756	0.016	0.016	0.000	0.000	0.000	0.000
516	A	571	GLU	-1	-0.848	-0.898	19.548	0.491	0.491	0.000	0.000	0.000	0.000
517	A	572	HIS	1	0.739	0.835	15.873	-0.418	-0.418	0.000	0.000	0.000	0.000
518	A	573	ALA	0	-0.008	-0.006	11.306	0.019	0.019	0.000	0.000	0.000	0.000
519	A	574	ILE	0	-0.058	-0.022	12.645	-0.156	-0.156	0.000	0.000	0.000	0.000
520	A	575	TYR	0	0.028	-0.014	9.469	0.212	0.212	0.000	0.000	0.000	0.000
521	A	576	ARG	1	0.787	0.863	11.047	-0.199	-0.199	0.000	0.000	0.000	0.000
522	A	577	ASP	-1	-0.791	-0.868	13.776	0.462	0.462	0.000	0.000	0.000	0.000
523	A	578	GLY	0	0.002	-0.003	16.852	-0.036	-0.036	0.000	0.000	0.000	0.000
524	A	579	ALA	0	0.002	0.010	18.229	-0.007	-0.007	0.000	0.000	0.000	0.000
525	A	580	PHE	0	-0.010	0.007	17.668	0.026	0.026	0.000	0.000	0.000	0.000
526	A	594	SER	0	0.023	-0.009	17.515	0.015	0.015	0.000	0.000	0.000	0.000
527	A	595	ASP	-1	-0.780	-0.858	15.779	0.110	0.110	0.000	0.000	0.000	0.000
528	A	596	TYR	0	0.031	-0.018	10.166	-0.093	-0.093	0.000	0.000	0.000	0.000
529	A	597	VAL	0	0.008	0.018	12.449	-0.069	-0.069	0.000	0.000	0.000	0.000
530	A	598	ALA	0	0.050	0.035	13.703	-0.045	-0.045	0.000	0.000	0.000	0.000
531	A	599	GLY	0	0.018	0.018	14.161	-0.038	-0.038	0.000	0.000	0.000	0.000
532	A	600	MET	0	-0.028	-0.003	7.293	-0.008	-0.008	0.000	0.000	0.000	0.000
533	A	601	GLN	0	-0.018	-0.019	12.221	-0.062	-0.062	0.000	0.000	0.000	0.000
534	A	602	ASN	0	-0.057	-0.048	15.500	-0.012	-0.012	0.000	0.000	0.000	0.000
535	A	603	THR	0	-0.054	-0.035	12.196	-0.063	-0.063	0.000	0.000	0.000	0.000
536	A	604	GLU	-1	-0.754	-0.876	12.629	-0.354	-0.354	0.000	0.000	0.000	0.000
537	A	605	ALA	0	0.024	0.022	15.847	0.051	0.051	0.000	0.000	0.000	0.000
538	A	606	ASP	-1	-0.857	-0.895	18.135	-0.368	-0.368	0.000	0.000	0.000	0.000
539	A	607	ALA	0	0.047	0.010	17.682	0.029	0.029	0.000	0.000	0.000	0.000
540	A	608	VAL	0	0.019	0.016	18.284	0.032	0.032	0.000	0.000	0.000	0.000
541	A	609	LYS	1	0.835	0.910	20.937	0.192	0.192	0.000	0.000	0.000	0.000
542	A	610	GLN	0	-0.034	-0.007	22.769	0.003	0.003	0.000	0.000	0.000	0.000
543	A	611	ASN	0	-0.001	0.001	20.548	0.002	0.002	0.000	0.000	0.000	0.000
544	A	612	GLY	0	0.023	0.028	23.743	0.021	0.021	0.000	0.000	0.000	0.000
545	A	613	ASN	0	-0.011	-0.013	19.950	0.002	0.002	0.000	0.000	0.000	0.000
546	A	614	ALA	0	0.065	0.018	20.922	0.014	0.014	0.000	0.000	0.000	0.000
547	A	615	TYR	0	0.052	0.030	20.236	0.016	0.016	0.000	0.000	0.000	0.000
548	A	616	LYS	1	0.803	0.888	14.925	-0.062	-0.062	0.000	0.000	0.000	0.000
549	A	617	THR	0	-0.004	-0.013	14.932	0.039	0.039	0.000	0.000	0.000	0.000
550	A	618	ASN	0	0.027	0.014	16.480	0.033	0.033	0.000	0.000	0.000	0.000
551	A	619	ASN	0	-0.033	-0.026	14.743	0.053	0.053	0.000	0.000	0.000	0.000
552	A	620	ALA	0	-0.004	0.010	16.729	0.033	0.033	0.000	0.000	0.000	0.000
553	A	621	VAL	0	-0.024	-0.006	18.093	0.016	0.016	0.000	0.000	0.000	0.000
554	A	622	SER	0	0.037	-0.004	19.132	0.018	0.018	0.000	0.000	0.000	0.000
555	A	623	ASP	-1	-0.854	-0.909	22.093	0.137	0.137	0.000	0.000	0.000	0.000
556	A	624	LEU	0	0.038	0.024	24.466	0.001	0.001	0.000	0.000	0.000	0.000
557	A	625	SER	0	-0.058	-0.038	25.867	-0.013	-0.013	0.000	0.000	0.000	0.000
558	A	626	GLN	0	-0.053	-0.020	22.589	-0.011	-0.011	0.000	0.000	0.000	0.000
559	A	627	PRO	0	0.010	0.001	23.816	0.000	0.000	0.000	0.000	0.000	0.000
560	A	628	ASP	-1	-0.833	-0.918	21.491	0.266	0.266	0.000	0.000	0.000	0.000
561	A	629	TRP	0	0.011	-0.002	24.834	0.022	0.022	0.000	0.000	0.000	0.000
562	A	630	GLU	-1	-0.843	-0.895	24.690	0.326	0.326	0.000	0.000	0.000	0.000
563	A	631	THR	0	-0.036	-0.032	28.365	-0.005	-0.005	0.000	0.000	0.000	0.000
564	A	632	GLY	0	0.051	0.049	32.184	0.007	0.007	0.000	0.000	0.000	0.000
565	A	633	THR	0	-0.042	-0.030	33.739	-0.018	-0.018	0.000	0.000	0.000	0.000
566	A	634	PHE	0	-0.016	-0.015	35.197	0.007	0.007	0.000	0.000	0.000	0.000
567	A	635	ARG	1	0.860	0.926	39.835	-0.148	-0.148	0.000	0.000	0.000	0.000
568	A	636	PHE	0	0.014	0.007	42.843	0.006	0.006	0.000	0.000	0.000	0.000
569	A	637	GLY	0	0.005	0.005	45.837	-0.004	-0.004	0.000	0.000	0.000	0.000
570	A	638	THR	0	-0.076	-0.051	49.685	-0.006	-0.006	0.000	0.000	0.000	0.000
571	A	639	LEU	0	-0.018	0.006	45.211	0.004	0.004	0.000	0.000	0.000	0.000
572	A	640	HIS	0	-0.023	-0.040	48.849	-0.006	-0.006	0.000	0.000	0.000	0.000
573	A	641	LEU	0	-0.029	-0.021	48.113	0.004	0.004	0.000	0.000	0.000	0.000
574	A	642	GLU	-1	-0.806	-0.886	51.644	0.074	0.074	0.000	0.000	0.000	0.000
575	A	643	ASN	0	-0.017	-0.005	52.589	0.002	0.002	0.000	0.000	0.000	0.000
576	A	644	SER	0	-0.030	-0.033	48.406	0.004	0.004	0.000	0.000	0.000	0.000
577	A	645	ASP	-1	-0.824	-0.880	45.984	0.080	0.080	0.000	0.000	0.000	0.000
578	A	646	PHE	0	0.014	-0.002	42.341	0.005	0.005	0.000	0.000	0.000	0.000
579	A	647	SER	0	-0.026	-0.031	40.965	-0.006	-0.006	0.000	0.000	0.000	0.000
580	A	648	VAL	0	0.011	0.009	40.041	0.008	0.008	0.000	0.000	0.000	0.000
581	A	649	GLY	0	0.056	0.034	37.003	-0.007	-0.007	0.000	0.000	0.000	0.000
582	A	650	ARG	1	0.841	0.933	29.370	-0.144	-0.144	0.000	0.000	0.000	0.000
583	A	651	ASN	0	0.003	0.002	31.206	0.006	0.006	0.000	0.000	0.000	0.000
584	A	652	ALA	0	0.047	0.036	33.714	0.014	0.014	0.000	0.000	0.000	0.000
585	A	653	ASN	0	-0.016	-0.015	36.455	-0.016	-0.016	0.000	0.000	0.000	0.000
586	A	654	VAL	0	-0.023	-0.007	38.827	0.006	0.006	0.000	0.000	0.000	0.000
587	A	655	ILE	0	-0.024	-0.021	41.219	-0.006	-0.006	0.000	0.000	0.000	0.000
588	A	656	GLY	0	0.073	0.030	44.430	0.004	0.004	0.000	0.000	0.000	0.000
589	A	657	ASP	-1	-0.827	-0.887	47.593	0.080	0.080	0.000	0.000	0.000	0.000
590	A	658	ILE	0	-0.024	-0.017	47.591	0.004	0.004	0.000	0.000	0.000	0.000
591	A	659	GLN	0	-0.022	-0.003	51.353	-0.007	-0.007	0.000	0.000	0.000	0.000
592	A	660	ALA	0	-0.004	-0.006	52.667	0.003	0.003	0.000	0.000	0.000	0.000
593	A	661	SER	0	0.015	-0.022	54.466	-0.004	-0.004	0.000	0.000	0.000	0.000
594	A	662	LYS	1	0.801	0.895	55.668	-0.057	-0.057	0.000	0.000	0.000	0.000
595	A	663	SER	0	-0.027	-0.020	51.583	0.003	0.003	0.000	0.000	0.000	0.000
596	A	664	ASN	0	-0.032	-0.009	49.330	-0.006	-0.006	0.000	0.000	0.000	0.000
597	A	665	ILE	0	0.044	0.024	47.562	0.005	0.005	0.000	0.000	0.000	0.000
598	A	666	THR	0	-0.048	-0.026	43.812	-0.006	-0.006	0.000	0.000	0.000	0.000
599	A	667	ILE	0	0.026	0.012	43.731	0.007	0.007	0.000	0.000	0.000	0.000
600	A	668	GLY	0	0.070	0.009	40.913	-0.006	-0.006	0.000	0.000	0.000	0.000
601	A	669	ASP	-1	-0.840	-0.884	39.922	0.094	0.094	0.000	0.000	0.000	0.000
602	A	670	THR	0	-0.005	-0.012	37.915	0.006	0.006	0.000	0.000	0.000	0.000
603	A	671	THR	0	-0.087	-0.042	36.515	0.002	0.002	0.000	0.000	0.000	0.000
604	A	672	ALA	0	-0.001	0.007	32.448	0.006	0.006	0.000	0.000	0.000	0.000
605	A	673	TYR	0	-0.003	-0.030	32.024	-0.005	-0.005	0.000	0.000	0.000	0.000
606	A	674	ILE	0	0.020	0.021	25.073	0.011	0.011	0.000	0.000	0.000	0.000
607	A	675	ASP	-1	-0.703	-0.837	26.440	0.298	0.298	0.000	0.000	0.000	0.000
608	A	676	LEU	0	-0.017	-0.002	22.288	0.030	0.030	0.000	0.000	0.000	0.000
609	A	677	HIS	0	-0.035	-0.029	21.653	0.068	0.068	0.000	0.000	0.000	0.000
610	A	678	ALA	0	0.059	0.047	22.938	0.019	0.019	0.000	0.000	0.000	0.000
611	A	679	GLY	0	0.063	0.031	20.354	0.040	0.040	0.000	0.000	0.000	0.000
612	A	680	LYS	1	0.687	0.840	17.928	-0.455	-0.455	0.000	0.000	0.000	0.000
613	A	681	ASN	0	0.009	-0.032	20.995	-0.011	-0.011	0.000	0.000	0.000	0.000
614	A	682	ILE	0	-0.005	0.020	24.077	-0.031	-0.031	0.000	0.000	0.000	0.000
615	A	683	THR	0	-0.024	-0.008	23.359	0.037	0.037	0.000	0.000	0.000	0.000
616	A	684	GLY	0	0.020	-0.001	24.595	-0.018	-0.018	0.000	0.000	0.000	0.000
617	A	685	ASP	-1	-0.815	-0.918	23.864	0.415	0.415	0.000	0.000	0.000	0.000
618	A	686	GLY	0	0.020	0.009	25.501	0.014	0.014	0.000	0.000	0.000	0.000
619	A	687	PHE	0	-0.034	-0.021	26.436	-0.008	-0.008	0.000	0.000	0.000	0.000
620	A	688	GLY	0	0.038	0.025	28.519	-0.026	-0.026	0.000	0.000	0.000	0.000
621	A	689	PHE	0	0.010	0.004	28.037	0.026	0.026	0.000	0.000	0.000	0.000
622	A	690	ARG	1	0.752	0.876	20.394	-0.486	-0.486	0.000	0.000	0.000	0.000
623	A	691	GLN	0	0.016	-0.002	27.026	0.005	0.005	0.000	0.000	0.000	0.000
624	A	692	ASN	0	-0.067	-0.034	25.392	-0.030	-0.030	0.000	0.000	0.000	0.000
625	A	693	ILE	0	0.023	0.025	27.651	0.009	0.009	0.000	0.000	0.000	0.000
626	A	694	VAL	0	-0.003	0.015	26.896	-0.016	-0.016	0.000	0.000	0.000	0.000
627	A	695	ARG	1	0.856	0.899	29.890	-0.126	-0.126	0.000	0.000	0.000	0.000
628	A	696	GLY	0	0.006	-0.007	32.832	-0.008	-0.008	0.000	0.000	0.000	0.000
629	A	697	ASN	0	-0.010	0.007	34.264	0.004	0.004	0.000	0.000	0.000	0.000
630	A	698	SER	0	-0.044	-0.036	30.489	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	699	GLN	0	-0.052	-0.038	33.395	0.003	0.003	0.000	0.000	0.000	0.000
632	A	700	GLY	0	0.002	-0.009	33.835	0.001	0.001	0.000	0.000	0.000	0.000
633	A	701	GLU	-1	-0.943	-0.963	35.038	0.086	0.086	0.000	0.000	0.000	0.000
634	A	702	THR	0	-0.062	-0.049	36.209	0.012	0.012	0.000	0.000	0.000	0.000
635	A	703	LEU	0	0.022	0.011	38.686	-0.009	-0.009	0.000	0.000	0.000	0.000
636	A	704	PHE	0	0.015	0.019	41.378	0.006	0.006	0.000	0.000	0.000	0.000
637	A	705	THR	0	-0.045	-0.032	44.448	-0.005	-0.005	0.000	0.000	0.000	0.000
638	A	706	GLY	0	0.079	0.050	46.835	0.005	0.005	0.000	0.000	0.000	0.000
639	A	707	GLY	0	0.001	0.003	49.975	-0.004	-0.004	0.000	0.000	0.000	0.000
640	A	708	ILE	0	-0.005	-0.017	50.145	0.004	0.004	0.000	0.000	0.000	0.000
641	A	709	THR	0	0.003	0.017	53.976	-0.005	-0.005	0.000	0.000	0.000	0.000
642	A	710	ALA	0	-0.023	-0.018	55.491	0.003	0.003	0.000	0.000	0.000	0.000
643	A	711	GLU	-1	-0.816	-0.875	57.273	0.057	0.057	0.000	0.000	0.000	0.000
644	A	712	ASP	-1	-0.881	-0.915	58.384	0.056	0.056	0.000	0.000	0.000	0.000
645	A	713	SER	0	-0.020	-0.023	54.542	0.002	0.002	0.000	0.000	0.000	0.000
646	A	714	THR	0	-0.090	-0.063	52.232	-0.003	-0.003	0.000	0.000	0.000	0.000
647	A	715	ILE	0	0.035	0.011	50.656	0.004	0.004	0.000	0.000	0.000	0.000
648	A	716	VAL	0	-0.023	-0.008	48.138	-0.004	-0.004	0.000	0.000	0.000	0.000
649	A	717	ILE	0	-0.004	0.004	46.264	0.005	0.005	0.000	0.000	0.000	0.000
650	A	718	LYS	1	0.827	0.897	43.177	-0.072	-0.072	0.000	0.000	0.000	0.000
651	A	719	ASP	-1	-0.732	-0.855	41.892	0.059	0.059	0.000	0.000	0.000	0.000
652	A	720	LYS	1	0.782	0.876	38.660	-0.052	-0.052	0.000	0.000	0.000	0.000
653	A	721	ALA	0	-0.006	0.020	40.546	0.006	0.006	0.000	0.000	0.000	0.000
654	A	722	LYS	1	0.829	0.899	42.420	-0.076	-0.076	0.000	0.000	0.000	0.000
655	A	723	ALA	0	-0.009	-0.005	44.327	0.005	0.005	0.000	0.000	0.000	0.000
656	A	724	LEU	0	-0.016	-0.003	47.088	-0.005	-0.005	0.000	0.000	0.000	0.000
657	A	725	PHE	0	0.013	-0.007	48.932	0.003	0.003	0.000	0.000	0.000	0.000
658	A	726	SER	0	0.041	-0.003	50.749	-0.003	-0.003	0.000	0.000	0.000	0.000
659	A	727	ASN	0	-0.071	-0.036	52.661	-0.002	-0.002	0.000	0.000	0.000	0.000
660	A	728	TYR	0	-0.011	-0.008	54.814	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	729	VAL	0	-0.013	-0.004	54.374	0.003	0.003	0.000	0.000	0.000	0.000
662	A	730	TYR	0	-0.006	-0.005	57.260	-0.004	-0.004	0.000	0.000	0.000	0.000
663	A	731	LEU	0	0.010	-0.009	56.209	0.003	0.003	0.000	0.000	0.000	0.000
664	A	732	LEU	0	0.043	0.025	59.946	-0.003	-0.003	0.000	0.000	0.000	0.000
665	A	733	ASN	0	0.007	0.003	61.174	0.001	0.001	0.000	0.000	0.000	0.000
666	A	734	THR	0	-0.001	0.004	56.306	0.002	0.002	0.000	0.000	0.000	0.000
667	A	735	LYS	1	0.951	0.988	54.651	-0.050	-0.050	0.000	0.000	0.000	0.000
668	A	736	ALA	0	0.071	0.034	54.621	0.003	0.003	0.000	0.000	0.000	0.000
669	A	737	THR	0	-0.080	-0.058	51.631	-0.004	-0.004	0.000	0.000	0.000	0.000
670	A	738	ILE	0	0.030	0.028	50.195	0.004	0.004	0.000	0.000	0.000	0.000
671	A	739	GLU	-1	-0.753	-0.871	46.332	0.057	0.057	0.000	0.000	0.000	0.000
672	A	740	ASN	0	0.027	-0.003	48.147	0.002	0.002	0.000	0.000	0.000	0.000
673	A	741	GLY	0	-0.005	-0.001	45.322	0.002	0.002	0.000	0.000	0.000	0.000
674	A	742	ALA	0	-0.010	0.024	44.766	0.004	0.004	0.000	0.000	0.000	0.000
675	A	743	ASP	-1	-0.875	-0.924	46.189	0.053	0.053	0.000	0.000	0.000	0.000
676	A	744	VAL	0	0.029	0.019	47.372	0.005	0.005	0.000	0.000	0.000	0.000
677	A	745	THR	0	0.001	-0.002	50.103	-0.005	-0.005	0.000	0.000	0.000	0.000
678	A	746	THR	0	0.003	0.000	51.705	0.004	0.004	0.000	0.000	0.000	0.000
679	A	747	GLN	0	-0.005	0.000	52.209	0.000	0.000	0.000	0.000	0.000	0.000
680	A	748	SER	0	0.010	0.020	56.180	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	749	GLY	0	-0.010	0.004	57.979	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	750	MET	0	-0.060	-0.042	55.694	0.001	0.001	0.000	0.000	0.000	0.000
683	A	751	PHE	0	-0.005	0.009	60.618	-0.002	-0.002	0.000	0.000	0.000	0.000
684	A	752	SER	0	0.000	-0.002	61.262	0.003	0.003	0.000	0.000	0.000	0.000
685	A	753	THR	0	0.044	0.031	62.989	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	754	SER	0	-0.056	-0.039	61.636	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	755	ASP	-1	-0.816	-0.887	62.070	0.038	0.038	0.000	0.000	0.000	0.000
688	A	756	ILE	0	-0.016	0.005	56.991	0.002	0.002	0.000	0.000	0.000	0.000
689	A	757	SER	0	-0.056	-0.023	56.018	-0.003	-0.003	0.000	0.000	0.000	0.000
690	A	758	ILE	0	-0.039	-0.029	54.111	0.003	0.003	0.000	0.000	0.000	0.000
691	A	759	SER	0	-0.038	-0.041	51.767	-0.002	-0.002	0.000	0.000	0.000	0.000
692	A	760	GLY	0	0.041	0.029	50.175	-0.002	-0.002	0.000	0.000	0.000	0.000
693	A	761	ASN	0	-0.050	-0.029	48.937	-0.006	-0.006	0.000	0.000	0.000	0.000
694	A	762	LEU	0	0.023	0.012	51.501	0.003	0.003	0.000	0.000	0.000	0.000
695	A	763	SER	0	-0.011	0.001	52.792	-0.004	-0.004	0.000	0.000	0.000	0.000
696	A	764	MET	0	-0.016	-0.016	55.035	0.003	0.003	0.000	0.000	0.000	0.000
697	A	765	THR	0	-0.041	-0.031	56.166	-0.002	-0.002	0.000	0.000	0.000	0.000
698	A	766	GLY	0	0.072	0.046	58.663	0.001	0.001	0.000	0.000	0.000	0.000
699	A	767	ASN	0	0.002	-0.003	56.994	0.003	0.003	0.000	0.000	0.000	0.000
700	A	768	PRO	0	-0.020	0.004	54.193	-0.002	-0.002	0.000	0.000	0.000	0.000
701	A	769	ASP	-1	-0.761	-0.875	56.472	0.054	0.054	0.000	0.000	0.000	0.000
702	A	770	LYS	1	0.918	0.947	55.114	-0.066	-0.066	0.000	0.000	0.000	0.000
703	A	771	ASP	-1	-0.851	-0.893	55.900	0.052	0.052	0.000	0.000	0.000	0.000
704	A	772	ASN	0	-0.069	-0.041	54.893	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	773	LYS	1	0.758	0.883	57.305	-0.048	-0.048	0.000	0.000	0.000	0.000
706	A	774	PHE	0	0.041	0.007	56.211	0.002	0.002	0.000	0.000	0.000	0.000
707	A	775	GLU	-1	-0.813	-0.883	61.029	0.051	0.051	0.000	0.000	0.000	0.000
708	A	776	PRO	0	-0.038	-0.029	62.449	0.001	0.001	0.000	0.000	0.000	0.000
709	A	777	SER	0	-0.034	-0.001	59.993	0.001	0.001	0.000	0.000	0.000	0.000
710	A	778	ILE	0	-0.019	-0.014	63.057	-0.002	-0.002	0.000	0.000	0.000	0.000
711	A	779	TYR	0	-0.044	-0.027	58.377	0.003	0.003	0.000	0.000	0.000	0.000
712	A	780	LEU	0	-0.016	-0.001	63.295	-0.002	-0.002	0.000	0.000	0.000	0.000
713	A	781	ASN	0	-0.005	-0.011	63.142	0.002	0.002	0.000	0.000	0.000	0.000
714	A	782	ASP	-1	-0.896	-0.954	65.457	0.038	0.038	0.000	0.000	0.000	0.000
715	A	783	ALA	0	-0.058	-0.020	65.035	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	784	SER	0	-0.038	-0.031	64.563	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	785	TYR	0	-0.076	-0.044	60.583	0.003	0.003	0.000	0.000	0.000	0.000
718	A	786	LEU	0	0.006	0.000	60.261	-0.002	-0.002	0.000	0.000	0.000	0.000
719	A	787	LEU	0	0.034	0.014	58.424	0.002	0.002	0.000	0.000	0.000	0.000
720	A	788	THR	0	0.001	0.017	55.925	-0.002	-0.002	0.000	0.000	0.000	0.000
721	A	789	ASP	-1	-0.768	-0.888	53.259	0.028	0.028	0.000	0.000	0.000	0.000
722	A	790	ASP	-1	-0.797	-0.860	55.705	0.021	0.021	0.000	0.000	0.000	0.000
723	A	791	SER	0	-0.069	-0.048	51.583	0.000	0.000	0.000	0.000	0.000	0.000
724	A	792	ALA	0	-0.015	0.013	52.987	0.002	0.002	0.000	0.000	0.000	0.000
725	A	793	ARG	1	0.869	0.917	51.750	-0.039	-0.039	0.000	0.000	0.000	0.000
726	A	794	LEU	0	0.034	0.028	55.185	0.003	0.003	0.000	0.000	0.000	0.000
727	A	795	VAL	0	-0.026	-0.024	55.385	-0.002	-0.002	0.000	0.000	0.000	0.000
728	A	796	ALA	0	0.026	0.014	58.118	0.002	0.002	0.000	0.000	0.000	0.000
729	A	797	LYS	1	0.896	0.939	56.057	-0.041	-0.041	0.000	0.000	0.000	0.000
730	A	798	ASN	0	-0.014	-0.016	57.949	0.000	0.000	0.000	0.000	0.000	0.000
731	A	799	LYS	1	0.798	0.893	61.175	-0.035	-0.035	0.000	0.000	0.000	0.000
732	A	800	ALA	0	0.037	0.034	61.526	0.002	0.002	0.000	0.000	0.000	0.000
733	A	801	SER	0	-0.017	-0.032	63.536	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	802	VAL	0	-0.009	-0.005	63.230	0.002	0.002	0.000	0.000	0.000	0.000
735	A	803	VAL	0	0.005	-0.007	65.876	-0.002	-0.002	0.000	0.000	0.000	0.000
736	A	804	GLY	0	0.104	0.066	66.415	0.002	0.002	0.000	0.000	0.000	0.000
737	A	805	ASP	-1	-0.820	-0.863	67.227	0.028	0.028	0.000	0.000	0.000	0.000
738	A	806	ILE	0	-0.003	0.010	63.379	0.002	0.002	0.000	0.000	0.000	0.000
739	A	807	HIS	0	-0.010	-0.003	64.353	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	808	SER	0	0.004	-0.023	60.803	0.001	0.001	0.000	0.000	0.000	0.000
741	A	809	THR	0	-0.014	-0.014	62.666	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	810	LYS	1	0.785	0.903	55.960	-0.027	-0.027	0.000	0.000	0.000	0.000
743	A	811	SER	0	-0.054	-0.072	59.302	0.000	0.000	0.000	0.000	0.000	0.000
744	A	812	ALA	0	0.020	0.033	58.099	0.000	0.000	0.000	0.000	0.000	0.000
745	A	813	SER	0	-0.042	-0.019	57.552	-0.002	-0.002	0.000	0.000	0.000	0.000
746	A	814	ILE	0	0.003	0.008	59.001	0.002	0.002	0.000	0.000	0.000	0.000
747	A	815	MET	0	-0.064	-0.036	56.012	-0.002	-0.002	0.000	0.000	0.000	0.000
748	A	816	PHE	0	0.000	-0.007	60.880	0.002	0.002	0.000	0.000	0.000	0.000
749	A	817	GLY	0	0.053	0.037	62.864	-0.002	-0.002	0.000	0.000	0.000	0.000
750	A	818	HIS	0	-0.047	-0.035	60.417	0.001	0.001	0.000	0.000	0.000	0.000
751	A	819	ASP	-1	-0.836	-0.910	59.090	0.024	0.024	0.000	0.000	0.000	0.000
752	A	820	GLU	-1	-0.842	-0.910	61.261	0.021	0.021	0.000	0.000	0.000	0.000
753	A	821	SER	0	-0.009	-0.011	60.713	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	822	ASP	-1	-0.932	-0.947	57.961	0.037	0.037	0.000	0.000	0.000	0.000
755	A	823	LEU	0	-0.006	0.005	60.756	0.001	0.001	0.000	0.000	0.000	0.000
756	A	824	SER	0	0.037	0.010	60.579	0.001	0.001	0.000	0.000	0.000	0.000
757	A	825	GLN	0	-0.027	-0.021	62.228	0.000	0.000	0.000	0.000	0.000	0.000
758	A	826	LEU	0	0.029	0.003	63.239	0.001	0.001	0.000	0.000	0.000	0.000
759	A	827	SER	0	-0.026	-0.024	62.446	0.000	0.000	0.000	0.000	0.000	0.000
760	A	828	ASP	-1	-0.884	-0.942	64.361	0.045	0.045	0.000	0.000	0.000	0.000
761	A	829	ARG	1	0.774	0.862	60.514	-0.053	-0.053	0.000	0.000	0.000	0.000
762	A	830	THR	0	-0.018	-0.001	65.938	0.000	0.000	0.000	0.000	0.000	0.000
763	A	831	SER	0	0.013	0.004	68.244	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	832	LYS	1	1.015	0.977	72.057	-0.032	-0.032	0.000	0.000	0.000	0.000
765	A	833	GLY	0	0.024	0.022	73.468	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	834	LEU	0	0.031	0.023	69.067	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	835	ALA	0	0.025	0.009	70.058	0.000	0.000	0.000	0.000	0.000	0.000
768	A	836	LEU	0	-0.035	-0.017	71.143	0.000	0.000	0.000	0.000	0.000	0.000
769	A	837	GLY	0	-0.013	-0.005	74.478	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	838	LEU	0	-0.003	0.000	68.112	0.000	0.000	0.000	0.000	0.000	0.000
771	A	839	LEU	0	-0.008	0.001	66.803	0.000	0.000	0.000	0.000	0.000	0.000
772	A	840	GLY	0	0.028	0.031	70.908	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	841	GLY	0	-0.004	-0.013	72.973	-0.001	-0.001	0.000	0.000	0.000	0.000
774	A	842	PHE	0	-0.079	-0.029	69.830	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	843	ASP	-1	-0.769	-0.876	63.381	0.037	0.037	0.000	0.000	0.000	0.000
776	A	844	VAL	0	-0.042	-0.010	63.597	0.002	0.002	0.000	0.000	0.000	0.000
777	A	845	SER	0	-0.028	0.002	66.584	-0.002	-0.002	0.000	0.000	0.000	0.000
778	A	846	TYR	0	-0.002	-0.028	66.259	0.001	0.001	0.000	0.000	0.000	0.000
779	A	847	ARG	1	0.847	0.902	68.678	-0.030	-0.030	0.000	0.000	0.000	0.000
780	A	848	GLY	0	0.064	0.026	70.171	0.001	0.001	0.000	0.000	0.000	0.000
781	A	849	SER	0	-0.092	-0.058	71.280	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	850	VAL	0	0.038	0.008	66.759	0.001	0.001	0.000	0.000	0.000	0.000
783	A	851	ASN	0	-0.040	-0.036	68.492	-0.002	-0.002	0.000	0.000	0.000	0.000
784	A	852	ALA	0	0.026	0.007	64.705	0.001	0.001	0.000	0.000	0.000	0.000
785	A	853	PRO	0	0.019	0.004	66.696	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	854	SER	0	-0.037	-0.018	63.762	-0.002	-0.002	0.000	0.000	0.000	0.000
787	A	855	ALA	0	-0.025	0.002	62.760	-0.001	-0.001	0.000	0.000	0.000	0.000
788	A	856	SER	0	-0.067	-0.034	61.116	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	857	ALA	0	0.045	0.019	62.824	0.002	0.002	0.000	0.000	0.000	0.000
790	A	858	THR	0	-0.037	-0.027	62.251	-0.002	-0.002	0.000	0.000	0.000	0.000
791	A	859	MET	0	-0.013	0.007	64.254	0.002	0.002	0.000	0.000	0.000	0.000
792	A	860	ASN	0	0.091	0.061	64.402	-0.002	-0.002	0.000	0.000	0.000	0.000
793	A	861	ASN	0	-0.037	-0.021	66.527	0.001	0.001	0.000	0.000	0.000	0.000
794	A	862	THR	0	0.013	-0.019	66.769	0.002	0.002	0.000	0.000	0.000	0.000
795	A	863	TRP	0	-0.004	0.000	69.101	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	864	TRP	0	0.016	-0.011	70.788	0.001	0.001	0.000	0.000	0.000	0.000
797	A	865	GLN	0	0.007	0.012	72.033	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	866	LEU	0	0.011	0.021	73.811	0.001	0.001	0.000	0.000	0.000	0.000
799	A	867	THR	0	0.014	-0.002	74.470	0.000	0.000	0.000	0.000	0.000	0.000
800	A	868	GLY	0	-0.011	-0.016	75.928	0.000	0.000	0.000	0.000	0.000	0.000
801	A	869	ASP	-1	-0.821	-0.892	75.695	0.019	0.019	0.000	0.000	0.000	0.000
802	A	870	SER	0	-0.003	0.004	72.377	0.001	0.001	0.000	0.000	0.000	0.000
803	A	871	ALA	0	-0.012	-0.007	71.658	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	872	LEU	0	-0.007	0.003	66.465	0.001	0.001	0.000	0.000	0.000	0.000
805	A	873	LYS	1	0.981	1.010	64.203	-0.014	-0.014	0.000	0.000	0.000	0.000
806	A	874	THR	0	-0.011	-0.023	65.182	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	875	LEU	0	0.040	0.018	67.050	0.001	0.001	0.000	0.000	0.000	0.000
808	A	876	LYS	1	0.895	0.949	63.927	-0.021	-0.021	0.000	0.000	0.000	0.000
809	A	877	SER	0	0.003	0.010	67.870	0.001	0.001	0.000	0.000	0.000	0.000
810	A	878	THR	0	0.021	-0.013	67.511	-0.001	-0.001	0.000	0.000	0.000	0.000
811	A	879	ASN	0	-0.016	0.010	68.700	0.001	0.001	0.000	0.000	0.000	0.000
812	A	880	SER	0	0.014	-0.021	69.884	0.002	0.002	0.000	0.000	0.000	0.000
813	A	881	MET	0	-0.043	-0.020	72.395	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	882	VAL	0	-0.010	0.013	73.127	0.001	0.001	0.000	0.000	0.000	0.000
815	A	883	TYR	0	0.013	-0.015	75.430	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	884	PHE	0	0.014	0.009	77.452	0.001	0.001	0.000	0.000	0.000	0.000
817	A	885	THR	0	0.002	0.005	77.421	0.000	0.000	0.000	0.000	0.000	0.000
818	A	886	ASP	-1	-0.862	-0.921	79.675	0.023	0.023	0.000	0.000	0.000	0.000
819	A	887	SER	0	0.085	0.032	75.948	0.001	0.001	0.000	0.000	0.000	0.000
820	A	888	ALA	0	-0.002	-0.004	78.935	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	889	ASN	0	0.003	0.001	79.528	0.000	0.000	0.000	0.000	0.000	0.000
822	A	890	ASN	0	0.020	0.020	78.463	-0.001	-0.001	0.000	0.000	0.000	0.000
823	A	891	LYS	1	0.845	0.903	81.355	-0.025	-0.025	0.000	0.000	0.000	0.000
824	A	892	LYS	1	0.935	0.994	81.210	-0.022	-0.022	0.000	0.000	0.000	0.000
825	A	893	PHE	0	-0.011	-0.003	83.505	0.001	0.001	0.000	0.000	0.000	0.000
826	A	894	HIS	0	-0.024	-0.021	79.038	0.000	0.000	0.000	0.000	0.000	0.000
827	A	895	THR	0	-0.020	-0.017	79.079	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	896	LEU	0	-0.045	-0.009	73.246	0.001	0.001	0.000	0.000	0.000	0.000
829	A	897	THR	0	0.006	0.004	74.849	-0.001	-0.001	0.000	0.000	0.000	0.000
830	A	898	VAL	0	0.026	0.005	70.994	0.001	0.001	0.000	0.000	0.000	0.000
831	A	899	ASP	-1	-0.843	-0.878	70.643	0.011	0.011	0.000	0.000	0.000	0.000
832	A	900	GLU	-1	-0.952	-0.982	68.356	0.010	0.010	0.000	0.000	0.000	0.000
833	A	901	LEU	0	-0.010	-0.012	70.612	0.001	0.001	0.000	0.000	0.000	0.000
834	A	902	ALA	0	0.002	0.016	69.576	-0.001	-0.001	0.000	0.000	0.000	0.000
835	A	903	THR	0	-0.010	-0.032	71.064	0.002	0.002	0.000	0.000	0.000	0.000
836	A	904	SER	0	0.006	0.004	72.627	-0.001	-0.001	0.000	0.000	0.000	0.000
837	A	905	ASN	0	-0.002	0.010	73.468	0.001	0.001	0.000	0.000	0.000	0.000
838	A	906	SER	0	0.001	-0.002	73.466	0.002	0.002	0.000	0.000	0.000	0.000
839	A	907	ALA	0	-0.015	-0.013	75.816	-0.001	-0.001	0.000	0.000	0.000	0.000
840	A	908	TYR	0	-0.012	-0.013	73.542	0.001	0.001	0.000	0.000	0.000	0.000
841	A	909	ALA	0	-0.002	-0.001	79.243	-0.001	-0.001	0.000	0.000	0.000	0.000
842	A	910	MET	0	-0.021	-0.002	80.910	0.001	0.001	0.000	0.000	0.000	0.000
843	A	911	ARG	1	0.799	0.869	82.581	-0.021	-0.021	0.000	0.000	0.000	0.000
844	A	912	THR	0	-0.026	-0.046	86.233	-0.001	-0.001	0.000	0.000	0.000	0.000
845	A	913	ASN	0	0.010	-0.012	89.676	0.000	0.000	0.000	0.000	0.000	0.000
846	A	914	LEU	0	-0.059	-0.027	92.824	0.000	0.000	0.000	0.000	0.000	0.000
847	A	915	SER	0	-0.054	-0.048	93.902	-0.001	-0.001	0.000	0.000	0.000	0.000
848	A	916	GLU	-1	-0.845	-0.880	89.236	0.014	0.014	0.000	0.000	0.000	0.000
849	A	917	SER	0	0.004	-0.018	86.390	0.000	0.000	0.000	0.000	0.000	0.000
850	A	918	ASP	-1	-0.727	-0.814	82.123	0.019	0.019	0.000	0.000	0.000	0.000
851	A	919	LYS	1	0.784	0.902	82.109	-0.015	-0.015	0.000	0.000	0.000	0.000
852	A	920	LEU	0	0.005	0.010	76.367	0.001	0.001	0.000	0.000	0.000	0.000
853	A	921	GLU	-1	-0.889	-0.941	78.544	0.011	0.011	0.000	0.000	0.000	0.000
854	A	922	VAL	0	-0.030	-0.017	74.732	0.001	0.001	0.000	0.000	0.000	0.000
855	A	923	LYS	1	0.854	0.887	73.694	-0.014	-0.014	0.000	0.000	0.000	0.000
856	A	924	LYS	1	0.798	0.891	71.740	-0.010	-0.010	0.000	0.000	0.000	0.000
857	A	925	HIS	0	0.050	0.033	71.262	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	926	LEU	0	0.032	0.021	74.298	0.001	0.001	0.000	0.000	0.000	0.000
859	A	927	SER	0	-0.033	-0.008	72.813	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	928	GLY	0	0.051	0.029	74.257	0.001	0.001	0.000	0.000	0.000	0.000
861	A	929	GLU	-1	-0.957	-0.988	74.810	0.010	0.010	0.000	0.000	0.000	0.000
862	A	930	ASN	0	-0.012	-0.011	77.021	0.000	0.000	0.000	0.000	0.000	0.000
863	A	931	ASN	0	0.033	0.021	76.397	0.002	0.002	0.000	0.000	0.000	0.000
864	A	932	ILE	0	-0.041	-0.019	79.516	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	933	LEU	0	0.018	0.012	81.221	0.001	0.001	0.000	0.000	0.000	0.000
866	A	934	LEU	0	-0.019	-0.012	81.491	0.000	0.000	0.000	0.000	0.000	0.000
867	A	935	VAL	0	-0.006	-0.020	84.869	0.000	0.000	0.000	0.000	0.000	0.000
868	A	936	ASP	-1	-0.872	-0.927	85.798	0.019	0.019	0.000	0.000	0.000	0.000
869	A	937	PHE	0	0.017	-0.022	87.829	0.000	0.000	0.000	0.000	0.000	0.000
870	A	938	LEU	0	-0.006	0.000	87.416	0.000	0.000	0.000	0.000	0.000	0.000
871	A	939	GLN	0	-0.042	-0.016	91.565	0.000	0.000	0.000	0.000	0.000	0.000
872	A	940	LYS	1	0.890	0.921	95.296	-0.016	-0.016	0.000	0.000	0.000	0.000
873	A	941	PRO	0	-0.020	0.009	95.888	0.000	0.000	0.000	0.000	0.000	0.000
874	A	942	THR	0	-0.047	-0.043	98.792	0.000	0.000	0.000	0.000	0.000	0.000
875	A	943	PRO	0	0.021	0.002	102.338	0.000	0.000	0.000	0.000	0.000	0.000
876	A	944	GLU	-1	-0.864	-0.895	104.352	0.011	0.011	0.000	0.000	0.000	0.000
877	A	945	LYS	1	0.810	0.893	99.839	-0.012	-0.012	0.000	0.000	0.000	0.000
878	A	946	GLN	0	0.016	0.013	99.484	0.000	0.000	0.000	0.000	0.000	0.000
879	A	947	LEU	0	0.006	0.011	94.917	0.000	0.000	0.000	0.000	0.000	0.000
880	A	948	ASN	0	0.036	0.009	95.256	-0.001	-0.001	0.000	0.000	0.000	0.000
881	A	949	ILE	0	-0.004	0.019	89.658	0.000	0.000	0.000	0.000	0.000	0.000
882	A	950	GLU	-1	-0.803	-0.859	86.306	0.011	0.011	0.000	0.000	0.000	0.000
883	A	951	LEU	0	0.006	-0.005	85.086	0.001	0.001	0.000	0.000	0.000	0.000
884	A	952	VAL	0	-0.006	-0.002	80.801	0.001	0.001	0.000	0.000	0.000	0.000
885	A	953	SER	0	0.040	-0.005	81.969	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	954	ALA	0	-0.001	0.008	80.057	0.001	0.001	0.000	0.000	0.000	0.000
887	A	955	PRO	0	0.048	0.037	78.014	0.000	0.000	0.000	0.000	0.000	0.000
888	A	956	LYS	1	0.807	0.881	81.327	-0.005	-0.005	0.000	0.000	0.000	0.000
889	A	957	ASP	-1	-0.935	-0.961	78.751	0.006	0.006	0.000	0.000	0.000	0.000
890	A	958	THR	0	-0.056	-0.027	79.519	0.000	0.000	0.000	0.000	0.000	0.000
891	A	959	ASN	0	0.001	-0.008	80.725	0.000	0.000	0.000	0.000	0.000	0.000
892	A	960	GLU	-1	-0.802	-0.892	82.264	0.010	0.010	0.000	0.000	0.000	0.000
893	A	961	ASN	0	-0.017	-0.007	82.109	0.001	0.001	0.000	0.000	0.000	0.000
894	A	962	VAL	0	-0.013	0.005	78.018	0.001	0.001	0.000	0.000	0.000	0.000
895	A	963	PHE	0	-0.002	0.000	77.892	0.001	0.001	0.000	0.000	0.000	0.000
896	A	964	LYS	1	0.928	0.972	82.550	-0.012	-0.012	0.000	0.000	0.000	0.000
897	A	965	ALA	0	0.034	0.012	85.224	0.001	0.001	0.000	0.000	0.000	0.000
898	A	966	SER	0	-0.027	-0.033	85.075	0.000	0.000	0.000	0.000	0.000	0.000
899	A	967	LYS	1	0.787	0.860	86.827	-0.014	-0.014	0.000	0.000	0.000	0.000
900	A	968	GLN	0	-0.049	-0.030	83.056	0.001	0.001	0.000	0.000	0.000	0.000
901	A	969	THR	0	-0.051	-0.006	88.323	0.000	0.000	0.000	0.000	0.000	0.000
902	A	970	ILE	0	0.017	-0.003	82.171	0.001	0.001	0.000	0.000	0.000	0.000
903	A	971	GLY	0	0.062	0.049	85.746	0.000	0.000	0.000	0.000	0.000	0.000
904	A	972	PHE	0	-0.069	-0.038	86.788	0.000	0.000	0.000	0.000	0.000	0.000
905	A	973	SER	0	-0.021	-0.009	90.190	-0.001	-0.001	0.000	0.000	0.000	0.000
906	A	974	ASP	-1	-0.813	-0.885	91.881	0.016	0.016	0.000	0.000	0.000	0.000
907	A	975	VAL	0	-0.039	-0.026	93.163	-0.001	-0.001	0.000	0.000	0.000	0.000
908	A	976	THR	0	0.010	0.005	90.784	0.001	0.001	0.000	0.000	0.000	0.000
909	A	977	PRO	0	0.006	-0.004	88.497	-0.001	-0.001	0.000	0.000	0.000	0.000
910	A	978	VAL	0	-0.025	-0.001	91.847	0.000	0.000	0.000	0.000	0.000	0.000
911	A	979	ILE	0	0.011	-0.001	87.517	0.000	0.000	0.000	0.000	0.000	0.000
912	A	980	THR	0	-0.056	-0.019	90.867	0.000	0.000	0.000	0.000	0.000	0.000
913	A	981	THR	0	0.029	-0.015	88.099	0.000	0.000	0.000	0.000	0.000	0.000
914	A	982	ARG	1	0.836	0.908	89.507	-0.010	-0.010	0.000	0.000	0.000	0.000
915	A	983	GLU	-1	-0.825	-0.898	88.438	0.006	0.006	0.000	0.000	0.000	0.000
916	A	984	THR	0	-0.046	-0.023	88.393	0.000	0.000	0.000	0.000	0.000	0.000
917	A	985	ASP	-1	-0.927	-0.984	89.451	0.005	0.005	0.000	0.000	0.000	0.000
918	A	986	ASP	-1	-0.966	-0.974	84.073	0.006	0.006	0.000	0.000	0.000	0.000
919	A	987	LYS	1	0.872	0.922	82.503	-0.010	-0.010	0.000	0.000	0.000	0.000
920	A	988	ILE	0	-0.004	0.026	83.420	0.000	0.000	0.000	0.000	0.000	0.000
921	A	989	THR	0	-0.084	-0.048	84.879	0.000	0.000	0.000	0.000	0.000	0.000
922	A	990	TRP	0	0.006	0.008	81.738	0.000	0.000	0.000	0.000	0.000	0.000
923	A	991	SER	0	-0.005	-0.016	87.520	0.000	0.000	0.000	0.000	0.000	0.000
924	A	992	LEU	0	-0.006	0.007	90.325	0.000	0.000	0.000	0.000	0.000	0.000
925	A	993	THR	0	-0.026	-0.034	91.900	0.000	0.000	0.000	0.000	0.000	0.000
926	A	994	GLY	0	0.005	-0.003	95.215	0.000	0.000	0.000	0.000	0.000	0.000
927	A	995	TYR	0	-0.042	-0.026	95.060	0.000	0.000	0.000	0.000	0.000	0.000
928	A	996	ASN	0	-0.002	0.008	95.061	-0.001	-0.001	0.000	0.000	0.000	0.000
929	A	997	THR	0	0.031	0.004	96.122	0.000	0.000	0.000	0.000	0.000	0.000
930	A	998	VAL	0	0.013	0.019	93.419	0.000	0.000	0.000	0.000	0.000	0.000
931	A	999	ALA	0	-0.041	-0.022	96.719	0.001	0.001	0.000	0.000	0.000	0.000
932	A	1012	SER	0	-0.037	-0.035	77.688	0.000	0.000	0.000	0.000	0.000	0.000
933	A	1013	VAL	0	0.004	0.008	79.800	0.000	0.000	0.000	0.000	0.000	0.000
934	A	1014	ASP	-1	-0.851	-0.926	76.765	0.027	0.027	0.000	0.000	0.000	0.000
935	A	1015	TYR	0	0.027	-0.013	76.485	-0.001	-0.001	0.000	0.000	0.000	0.000
936	A	1016	LYS	1	0.853	0.957	71.290	-0.026	-0.026	0.000	0.000	0.000	0.000
937	A	1017	ALA	0	-0.014	-0.010	75.998	-0.001	-0.001	0.000	0.000	0.000	0.000
938	A	1018	PHE	0	0.030	0.017	79.149	-0.001	-0.001	0.000	0.000	0.000	0.000
939	A	1019	LEU	0	-0.001	0.000	74.530	-0.001	-0.001	0.000	0.000	0.000	0.000
940	A	1020	ASN	0	-0.046	-0.026	78.551	-0.001	-0.001	0.000	0.000	0.000	0.000
941	A	1021	GLU	-1	-0.788	-0.838	80.233	0.015	0.015	0.000	0.000	0.000	0.000
942	A	1022	VAL	0	-0.066	-0.020	77.819	-0.001	-0.001	0.000	0.000	0.000	0.000
943	A	1023	ASN	0	0.005	0.013	75.664	-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:56:SER)