FMO DATABASE

FMODB ID: 5N31Z

Calculation Name: 3SYJ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3SYJ

Chain ID: A

ChEMBL ID:

UniProt ID: P45387

Base Structure: X-ray

Registration Date: 2023-09-26

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	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	919
LigandCharge	DLY=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24343877.489164
FMO2-HF: Nuclear repulsion	23988811.369344
FMO2-HF: Total energy	-355066.11982
FMO2-MP2: Total energy	-356117.363468

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:26:GLY)

Summations of interaction energy for fragment #1(A:26:GLY)

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.
-4.945	-2.768	23.25	-13.161	-12.266	-0.07

Interaction energy analysis for fragmet #1(A:26:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.036 / q_NPA : 0.016

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	28	THR	0	0.019	0.004	3.792	0.075	2.220	-0.016	-1.147	-0.982	0.006
4	A	29	TYR	0	-0.014	-0.028	6.435	0.034	0.034	0.000	0.000	0.000	0.000
5	A	30	PHE	0	0.018	0.001	10.170	0.076	0.076	0.000	0.000	0.000	0.000
6	A	31	GLY	0	0.051	0.031	12.408	0.101	0.101	0.000	0.000	0.000	0.000
7	A	32	ILE	0	-0.064	-0.036	12.506	0.125	0.125	0.000	0.000	0.000	0.000
8	A	33	ASP	-1	-0.870	-0.935	12.822	-0.581	-0.581	0.000	0.000	0.000	0.000
9	A	34	TYR	0	0.041	0.004	5.036	0.362	0.362	0.000	0.000	0.000	0.000
10	A	35	GLN	0	-0.042	-0.039	10.501	-0.069	-0.069	0.000	0.000	0.000	0.000
11	A	36	TYR	0	0.002	0.017	12.435	0.110	0.110	0.000	0.000	0.000	0.000
12	A	37	TYR	0	0.059	0.017	7.102	-0.042	-0.042	0.000	0.000	0.000	0.000
13	A	38	ARG	1	0.782	0.882	7.744	0.629	0.629	0.000	0.000	0.000	0.000
14	A	39	ASP	-1	-0.749	-0.865	10.181	-0.099	-0.099	0.000	0.000	0.000	0.000
15	A	40	PHE	0	-0.005	0.004	10.342	0.096	0.096	0.000	0.000	0.000	0.000
16	A	41	ALA	0	-0.006	-0.011	8.759	0.115	0.115	0.000	0.000	0.000	0.000
17	A	42	GLU	-1	-0.819	-0.885	10.886	0.177	0.177	0.000	0.000	0.000	0.000
18	A	43	ASN	0	-0.061	-0.024	13.827	0.036	0.036	0.000	0.000	0.000	0.000
19	A	44	LYS	1	0.830	0.912	15.770	0.061	0.061	0.000	0.000	0.000	0.000
20	A	45	GLY	0	0.042	0.022	17.445	-0.012	-0.012	0.000	0.000	0.000	0.000
21	A	46	LYS	1	0.927	0.946	18.851	0.141	0.141	0.000	0.000	0.000	0.000
22	A	47	PHE	0	-0.020	-0.005	14.709	0.014	0.014	0.000	0.000	0.000	0.000
23	A	48	THR	0	0.059	0.047	17.587	0.029	0.029	0.000	0.000	0.000	0.000
24	A	49	VAL	0	0.014	-0.009	19.401	0.002	0.002	0.000	0.000	0.000	0.000
25	A	50	GLY	0	-0.023	-0.011	20.874	-0.017	-0.017	0.000	0.000	0.000	0.000
26	A	51	ALA	0	-0.034	-0.003	20.757	-0.009	-0.009	0.000	0.000	0.000	0.000
27	A	52	GLN	0	0.030	-0.003	21.407	0.013	0.013	0.000	0.000	0.000	0.000
28	A	53	ASN	0	-0.068	-0.040	22.212	-0.017	-0.017	0.000	0.000	0.000	0.000
29	A	54	ILE	0	0.000	0.014	18.364	-0.015	-0.015	0.000	0.000	0.000	0.000
30	A	55	LYS	1	0.908	0.969	19.469	0.071	0.071	0.000	0.000	0.000	0.000
31	A	56	VAL	0	0.026	0.014	14.845	-0.009	-0.009	0.000	0.000	0.000	0.000
32	A	57	TYR	0	-0.009	-0.017	18.189	0.023	0.023	0.000	0.000	0.000	0.000
33	A	58	ASN	0	0.046	0.017	17.333	-0.026	-0.026	0.000	0.000	0.000	0.000
34	A	59	LYS	1	0.873	0.935	14.188	0.777	0.777	0.000	0.000	0.000	0.000
35	A	60	GLN	0	-0.055	-0.017	19.491	0.016	0.016	0.000	0.000	0.000	0.000
36	A	61	GLY	0	0.010	0.010	21.742	0.029	0.029	0.000	0.000	0.000	0.000
37	A	62	GLN	0	-0.007	-0.006	22.205	0.014	0.014	0.000	0.000	0.000	0.000
38	A	63	LEU	0	-0.078	-0.036	21.117	-0.020	-0.020	0.000	0.000	0.000	0.000
39	A	64	VAL	0	0.011	0.012	15.863	0.009	0.009	0.000	0.000	0.000	0.000
40	A	65	GLY	0	0.015	-0.006	18.867	0.022	0.022	0.000	0.000	0.000	0.000
41	A	66	THR	0	-0.075	-0.035	19.605	-0.016	-0.016	0.000	0.000	0.000	0.000
42	A	67	SER	0	0.000	-0.011	15.475	0.025	0.025	0.000	0.000	0.000	0.000
43	A	68	MET	0	0.019	0.020	15.226	0.005	0.005	0.000	0.000	0.000	0.000
44	A	69	THR	0	-0.012	-0.002	19.443	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	70	LYS	1	0.934	0.963	21.652	-0.064	-0.064	0.000	0.000	0.000	0.000
46	A	71	ALA	0	0.025	0.025	20.014	0.015	0.015	0.000	0.000	0.000	0.000
47	A	72	PRO	0	-0.006	0.013	21.309	-0.014	-0.014	0.000	0.000	0.000	0.000
48	A	73	MET	0	-0.060	-0.014	13.741	0.024	0.024	0.000	0.000	0.000	0.000
49	A	74	ILE	0	0.025	0.024	14.213	-0.007	-0.007	0.000	0.000	0.000	0.000
50	A	75	ASP	-1	-0.727	-0.804	17.381	0.190	0.190	0.000	0.000	0.000	0.000
51	A	76	PHE	0	0.049	-0.007	11.198	0.072	0.072	0.000	0.000	0.000	0.000
52	A	77	SER	0	-0.080	-0.053	15.506	0.048	0.048	0.000	0.000	0.000	0.000
53	A	78	VAL	0	0.019	0.018	16.765	0.008	0.008	0.000	0.000	0.000	0.000
54	A	79	VAL	0	-0.048	-0.025	11.477	0.059	0.059	0.000	0.000	0.000	0.000
55	A	80	SER	0	-0.013	-0.013	14.232	-0.040	-0.040	0.000	0.000	0.000	0.000
56	A	81	ARG	1	0.842	0.900	12.973	-0.122	-0.122	0.000	0.000	0.000	0.000
57	A	82	ASN	0	0.019	0.017	11.616	0.098	0.098	0.000	0.000	0.000	0.000
58	A	83	GLY	0	0.006	0.008	9.169	0.217	0.217	0.000	0.000	0.000	0.000
59	A	84	VAL	0	-0.016	-0.007	10.013	0.299	0.299	0.000	0.000	0.000	0.000
60	A	85	ALA	0	0.006	0.024	11.776	-0.077	-0.077	0.000	0.000	0.000	0.000
61	A	86	ALA	0	0.014	0.012	14.764	0.008	0.008	0.000	0.000	0.000	0.000
62	A	87	LEU	0	-0.003	0.001	16.543	-0.022	-0.022	0.000	0.000	0.000	0.000
63	A	88	VAL	0	-0.022	-0.014	19.812	-0.005	-0.005	0.000	0.000	0.000	0.000
64	A	89	GLU	-1	-0.823	-0.905	22.214	0.184	0.184	0.000	0.000	0.000	0.000
65	A	90	ASN	0	-0.014	-0.026	24.901	0.012	0.012	0.000	0.000	0.000	0.000
66	A	91	GLN	0	-0.034	-0.028	26.451	-0.009	-0.009	0.000	0.000	0.000	0.000
67	A	92	TYR	0	-0.051	-0.057	24.590	0.003	0.003	0.000	0.000	0.000	0.000
68	A	93	ILE	0	0.023	0.016	18.581	0.015	0.015	0.000	0.000	0.000	0.000
69	A	94	VAL	0	-0.030	-0.006	16.943	-0.029	-0.029	0.000	0.000	0.000	0.000
70	A	95	SER	0	0.025	-0.014	14.351	0.086	0.086	0.000	0.000	0.000	0.000
71	A	96	VAL	0	-0.004	-0.005	13.622	-0.067	-0.067	0.000	0.000	0.000	0.000
72	A	97	ALA	0	0.007	0.004	16.389	-0.017	-0.017	0.000	0.000	0.000	0.000
73	A	98	HIS	0	-0.040	-0.049	13.188	0.061	0.061	0.000	0.000	0.000	0.000
74	A	99	ASN	0	-0.046	-0.007	12.415	-0.021	-0.021	0.000	0.000	0.000	0.000
75	A	100	VAL	0	-0.009	-0.017	16.167	-0.037	-0.037	0.000	0.000	0.000	0.000
76	A	101	GLY	0	-0.035	-0.022	17.788	-0.050	-0.050	0.000	0.000	0.000	0.000
77	A	102	TYR	0	-0.042	-0.015	16.432	-0.033	-0.033	0.000	0.000	0.000	0.000
78	A	103	THR	0	0.018	-0.013	18.549	-0.003	-0.003	0.000	0.000	0.000	0.000
79	A	104	ASP	-1	-0.908	-0.940	20.176	0.233	0.233	0.000	0.000	0.000	0.000
80	A	105	VAL	0	-0.037	-0.008	17.158	0.053	0.053	0.000	0.000	0.000	0.000
81	A	106	ASP	-1	-0.832	-0.920	17.381	0.247	0.247	0.000	0.000	0.000	0.000
82	A	107	PHE	0	0.043	0.010	17.535	0.048	0.048	0.000	0.000	0.000	0.000
83	A	108	GLY	0	0.030	0.021	18.530	-0.036	-0.036	0.000	0.000	0.000	0.000
84	A	109	ALA	0	-0.011	-0.005	17.586	0.023	0.023	0.000	0.000	0.000	0.000
85	A	110	GLU	-1	-0.760	-0.864	13.741	-0.132	-0.132	0.000	0.000	0.000	0.000
86	A	111	GLY	0	0.017	-0.005	16.512	-0.018	-0.018	0.000	0.000	0.000	0.000
87	A	112	ASN	0	-0.043	-0.032	18.902	0.044	0.044	0.000	0.000	0.000	0.000
88	A	113	ASN	0	0.032	0.030	22.051	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	114	PRO	0	0.055	0.024	24.874	0.014	0.014	0.000	0.000	0.000	0.000
90	A	115	ASP	-1	-0.741	-0.865	27.315	0.023	0.023	0.000	0.000	0.000	0.000
91	A	116	GLN	0	-0.034	-0.020	20.813	0.029	0.029	0.000	0.000	0.000	0.000
92	A	117	HIS	1	0.805	0.904	25.914	-0.047	-0.047	0.000	0.000	0.000	0.000
93	A	118	ARG	1	0.829	0.920	19.241	-0.118	-0.118	0.000	0.000	0.000	0.000
94	A	119	PHE	0	0.030	0.015	23.724	-0.009	-0.009	0.000	0.000	0.000	0.000
95	A	120	THR	0	0.002	0.007	22.460	0.014	0.014	0.000	0.000	0.000	0.000
96	A	121	TYR	0	-0.069	-0.062	22.600	-0.020	-0.020	0.000	0.000	0.000	0.000
97	A	122	LYS	1	0.956	0.964	23.009	-0.126	-0.126	0.000	0.000	0.000	0.000
98	A	123	ILE	0	0.001	0.010	20.205	-0.006	-0.006	0.000	0.000	0.000	0.000
99	A	124	VAL	0	-0.030	-0.022	24.781	-0.017	-0.017	0.000	0.000	0.000	0.000
100	A	125	LYS	1	0.832	0.907	26.883	-0.212	-0.212	0.000	0.000	0.000	0.000
101	A	126	ARG	1	0.852	0.924	20.362	-0.328	-0.328	0.000	0.000	0.000	0.000
102	A	127	ASN	0	-0.024	-0.012	23.928	0.007	0.007	0.000	0.000	0.000	0.000
103	A	128	ASN	0	0.003	-0.007	23.044	0.055	0.055	0.000	0.000	0.000	0.000
104	A	129	TYR	0	0.020	0.011	23.700	-0.027	-0.027	0.000	0.000	0.000	0.000
105	A	130	LYS	1	0.929	0.967	25.346	-0.184	-0.184	0.000	0.000	0.000	0.000
106	A	131	LYS	1	0.833	0.907	25.399	-0.253	-0.253	0.000	0.000	0.000	0.000
107	A	132	ASP	-1	-0.850	-0.921	28.452	0.169	0.169	0.000	0.000	0.000	0.000
108	A	133	ASN	0	0.014	0.002	31.879	0.004	0.004	0.000	0.000	0.000	0.000
109	A	134	LEU	0	0.003	0.009	33.824	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	135	HIS	1	0.691	0.828	28.846	-0.191	-0.191	0.000	0.000	0.000	0.000
111	A	136	PRO	0	0.086	0.029	28.309	0.009	0.009	0.000	0.000	0.000	0.000
112	A	137	TYR	0	-0.029	-0.024	23.326	0.004	0.004	0.000	0.000	0.000	0.000
113	A	138	GLU	-1	-0.804	-0.894	20.790	0.275	0.275	0.000	0.000	0.000	0.000
114	A	139	ASP	-1	-0.778	-0.876	22.149	0.335	0.335	0.000	0.000	0.000	0.000
115	A	140	ASP	-1	-0.794	-0.851	16.728	0.613	0.613	0.000	0.000	0.000	0.000
116	A	141	TYR	0	-0.035	-0.022	18.042	0.071	0.071	0.000	0.000	0.000	0.000
117	A	142	HIS	0	-0.016	0.009	18.992	-0.015	-0.015	0.000	0.000	0.000	0.000
118	A	143	ASN	0	0.027	0.002	20.531	0.038	0.038	0.000	0.000	0.000	0.000
119	A	144	PRO	0	-0.009	0.006	20.287	-0.042	-0.042	0.000	0.000	0.000	0.000
120	A	145	ARG	1	0.877	0.966	23.451	-0.173	-0.173	0.000	0.000	0.000	0.000
121	A	146	LEU	0	-0.031	-0.026	22.084	0.000	0.000	0.000	0.000	0.000	0.000
122	A	147	HIS	0	0.004	-0.002	26.205	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	148	LYS	1	0.755	0.871	28.031	-0.138	-0.138	0.000	0.000	0.000	0.000
124	A	149	PHE	0	-0.026	-0.011	27.791	0.018	0.018	0.000	0.000	0.000	0.000
125	A	150	VAL	0	0.012	0.005	22.857	-0.011	-0.011	0.000	0.000	0.000	0.000
126	A	151	THR	0	-0.035	-0.026	26.264	0.001	0.001	0.000	0.000	0.000	0.000
127	A	152	GLU	-1	-0.786	-0.869	23.109	0.168	0.168	0.000	0.000	0.000	0.000
128	A	153	ALA	0	0.006	-0.010	21.723	-0.008	-0.008	0.000	0.000	0.000	0.000
129	A	154	ALA	0	-0.032	0.000	23.693	0.000	0.000	0.000	0.000	0.000	0.000
130	A	155	PRO	0	0.017	0.011	22.550	0.020	0.020	0.000	0.000	0.000	0.000
131	A	156	ILE	0	-0.042	-0.015	18.140	-0.013	-0.013	0.000	0.000	0.000	0.000
132	A	157	ASP	-1	-0.845	-0.931	21.804	0.235	0.235	0.000	0.000	0.000	0.000
133	A	158	MET	0	-0.036	-0.018	21.389	0.030	0.030	0.000	0.000	0.000	0.000
134	A	159	THR	0	0.002	0.012	20.614	-0.019	-0.019	0.000	0.000	0.000	0.000
135	A	160	SER	0	0.001	-0.012	22.981	0.012	0.012	0.000	0.000	0.000	0.000
136	A	161	ASN	0	0.022	0.028	25.215	-0.003	-0.003	0.000	0.000	0.000	0.000
137	A	162	MET	0	0.078	0.060	22.584	0.028	0.028	0.000	0.000	0.000	0.000
138	A	163	ASN	0	0.022	0.017	23.919	0.024	0.024	0.000	0.000	0.000	0.000
139	A	164	GLY	0	0.051	0.018	21.226	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	165	SER	0	-0.019	-0.029	21.605	0.003	0.003	0.000	0.000	0.000	0.000
141	A	166	THR	0	-0.088	-0.050	23.953	-0.022	-0.022	0.000	0.000	0.000	0.000
142	A	167	TYR	0	-0.027	-0.041	19.975	-0.013	-0.013	0.000	0.000	0.000	0.000
143	A	168	SER	0	-0.034	-0.026	20.807	0.004	0.004	0.000	0.000	0.000	0.000
144	A	169	ASP	-1	-0.832	-0.907	21.978	0.115	0.115	0.000	0.000	0.000	0.000
145	A	170	ARG	1	0.900	0.937	19.373	-0.102	-0.102	0.000	0.000	0.000	0.000
146	A	171	THR	0	-0.046	-0.015	23.030	-0.012	-0.012	0.000	0.000	0.000	0.000
147	A	172	LYS	1	0.811	0.903	25.702	-0.158	-0.158	0.000	0.000	0.000	0.000
148	A	173	TYR	0	-0.057	-0.045	20.542	0.010	0.010	0.000	0.000	0.000	0.000
149	A	174	PRO	0	-0.012	0.012	20.723	0.009	0.009	0.000	0.000	0.000	0.000
150	A	175	GLU	-1	-0.835	-0.936	17.367	0.101	0.101	0.000	0.000	0.000	0.000
151	A	176	ARG	1	0.899	0.935	13.566	-0.362	-0.362	0.000	0.000	0.000	0.000
152	A	177	VAL	0	0.000	0.010	11.138	-0.041	-0.041	0.000	0.000	0.000	0.000
153	A	178	ARG	1	0.818	0.916	2.751	-7.399	-6.969	0.111	-0.253	-0.289	0.000
154	A	179	ILE	0	0.010	0.010	6.699	-0.152	-0.152	0.000	0.000	0.000	0.000
155	A	180	GLY	0	0.012	-0.002	5.943	0.172	0.172	0.000	0.000	0.000	0.000
156	A	181	SER	0	0.014	-0.005	5.089	-0.319	-0.319	0.000	0.000	0.000	0.000
157	A	182	GLY	0	0.002	0.019	4.016	-1.985	-1.778	0.007	-0.082	-0.132	0.000
158	A	183	ARG	1	0.914	0.945	2.940	-3.585	-1.430	0.482	-1.388	-1.249	-0.010
159	A	184	GLN	0	0.059	0.084	1.812	-11.558	-17.202	16.180	-6.171	-4.366	-0.044
160	A	185	PHE	0	-0.040	-0.034	3.439	3.103	3.478	0.010	0.032	-0.416	0.001
161	A	186	TRP	0	0.027	0.024	5.632	-0.862	-0.925	-0.001	-0.011	0.076	0.000
162	A	187	ARG	1	0.819	0.895	7.374	1.392	1.392	0.000	0.000	0.000	0.000
163	A	188	ASN	0	0.088	0.043	10.489	0.071	0.071	0.000	0.000	0.000	0.000
164	A	189	ASP	-1	-0.755	-0.870	14.179	-0.461	-0.461	0.000	0.000	0.000	0.000
165	A	190	GLN	0	-0.082	-0.037	16.757	0.034	0.034	0.000	0.000	0.000	0.000
166	A	191	ASP	-1	-0.880	-0.938	11.731	-0.632	-0.632	0.000	0.000	0.000	0.000
167	A	192	LYS	1	0.912	0.964	13.199	0.415	0.415	0.000	0.000	0.000	0.000
168	A	193	GLY	0	0.000	-0.004	10.144	-0.092	-0.092	0.000	0.000	0.000	0.000
169	A	194	ASP	-1	-0.767	-0.883	10.189	-0.718	-0.718	0.000	0.000	0.000	0.000
170	A	195	GLN	0	-0.061	-0.040	6.479	-0.244	-0.244	0.000	0.000	0.000	0.000
171	A	196	VAL	0	0.017	0.009	6.841	0.326	0.326	0.000	0.000	0.000	0.000
172	A	197	ALA	0	0.008	0.003	6.757	0.364	0.364	0.000	0.000	0.000	0.000
173	A	198	GLY	0	0.016	0.014	6.447	-0.381	-0.381	0.000	0.000	0.000	0.000
174	A	199	ALA	0	-0.039	-0.027	6.096	-0.111	-0.111	0.000	0.000	0.000	0.000
175	A	200	TYR	0	-0.034	-0.023	7.106	-0.257	-0.257	0.000	0.000	0.000	0.000
176	A	201	HIS	0	-0.042	-0.011	7.986	-0.189	-0.189	0.000	0.000	0.000	0.000
177	A	202	TYR	0	0.015	-0.026	6.161	0.138	0.138	0.000	0.000	0.000	0.000
178	A	203	LEU	0	0.003	0.014	6.311	0.230	0.230	0.000	0.000	0.000	0.000
179	A	204	THR	0	-0.046	-0.039	2.695	0.541	1.076	0.054	-0.239	-0.350	0.000
180	A	205	ALA	0	-0.014	-0.014	5.689	1.024	1.024	0.000	0.000	0.000	0.000
181	A	206	GLY	0	0.069	0.031	6.909	-0.426	-0.426	0.000	0.000	0.000	0.000
182	A	207	ASN	0	0.021	0.014	8.924	0.162	0.162	0.000	0.000	0.000	0.000
183	A	208	THR	0	0.005	-0.002	9.043	0.033	0.033	0.000	0.000	0.000	0.000
184	A	209	HIS	0	-0.039	-0.011	7.408	-0.093	-0.093	0.000	0.000	0.000	0.000
185	A	210	ASN	0	0.058	0.025	11.183	0.038	0.038	0.000	0.000	0.000	0.000
186	A	211	GLN	0	0.035	0.014	14.562	0.054	0.054	0.000	0.000	0.000	0.000
187	A	212	ARG	1	0.793	0.866	14.141	-0.221	-0.221	0.000	0.000	0.000	0.000
188	A	213	GLY	0	0.047	0.039	17.303	0.004	0.004	0.000	0.000	0.000	0.000
189	A	214	ALA	0	-0.047	-0.029	18.250	0.053	0.053	0.000	0.000	0.000	0.000
190	A	215	GLY	0	0.075	0.045	20.500	-0.033	-0.033	0.000	0.000	0.000	0.000
191	A	216	ASN	0	0.020	0.027	22.848	0.023	0.023	0.000	0.000	0.000	0.000
192	A	217	GLY	0	0.045	0.011	22.145	0.002	0.002	0.000	0.000	0.000	0.000
193	A	218	TYR	0	-0.069	-0.029	17.795	0.045	0.045	0.000	0.000	0.000	0.000
194	A	219	SER	0	0.077	0.017	15.871	-0.078	-0.078	0.000	0.000	0.000	0.000
195	A	220	TYR	0	0.001	0.018	13.675	0.118	0.118	0.000	0.000	0.000	0.000
196	A	221	LEU	0	-0.056	-0.019	11.240	-0.067	-0.067	0.000	0.000	0.000	0.000
197	A	222	GLY	0	0.019	-0.011	10.726	0.119	0.119	0.000	0.000	0.000	0.000
198	A	223	GLY	0	0.004	0.003	11.356	-0.020	-0.020	0.000	0.000	0.000	0.000
199	A	224	ASP	-1	-0.780	-0.867	11.520	-0.385	-0.385	0.000	0.000	0.000	0.000
200	A	225	VAL	0	0.014	0.003	7.361	0.048	0.048	0.000	0.000	0.000	0.000
201	A	226	ARG	1	0.799	0.877	10.425	0.354	0.354	0.000	0.000	0.000	0.000
202	A	227	LYS	1	0.873	0.948	13.525	0.248	0.248	0.000	0.000	0.000	0.000
203	A	228	ALA	0	0.034	0.022	13.782	0.002	0.002	0.000	0.000	0.000	0.000
204	A	229	GLY	0	0.015	0.006	14.616	0.014	0.014	0.000	0.000	0.000	0.000
205	A	230	GLU	-1	-0.885	-0.946	15.545	0.152	0.152	0.000	0.000	0.000	0.000
206	A	231	TYR	0	-0.031	-0.011	14.020	0.030	0.030	0.000	0.000	0.000	0.000
207	A	232	GLY	0	0.034	0.028	15.279	0.015	0.015	0.000	0.000	0.000	0.000
208	A	233	PRO	0	-0.022	-0.021	14.377	-0.007	-0.007	0.000	0.000	0.000	0.000
209	A	234	LEU	0	-0.028	-0.005	10.202	-0.082	-0.082	0.000	0.000	0.000	0.000
210	A	235	PRO	0	0.016	0.018	9.383	0.091	0.091	0.000	0.000	0.000	0.000
211	A	236	ILE	0	-0.031	-0.005	2.991	-0.586	-0.250	0.112	-0.151	-0.298	0.000
212	A	237	ALA	0	-0.023	-0.007	4.490	0.414	0.549	-0.001	-0.051	-0.082	0.000
213	A	238	GLY	0	0.000	-0.015	2.487	2.222	1.469	5.206	-2.574	-1.880	-0.020
214	A	239	SER	0	-0.068	-0.061	2.387	-3.063	-1.972	0.522	-0.635	-0.978	0.000
215	A	240	LYS	1	1.004	0.988	4.089	0.135	0.252	0.000	-0.007	-0.110	0.000
216	A	241	GLY	0	0.052	0.028	5.533	-0.104	-0.104	0.000	0.000	0.000	0.000
217	A	242	ASP	-1	-0.705	-0.844	3.025	15.124	16.235	0.584	-0.484	-1.210	-0.003
218	A	243	SER	0	-0.049	0.001	6.485	-0.354	-0.354	0.000	0.000	0.000	0.000
219	A	244	GLY	0	-0.034	-0.010	9.773	-0.095	-0.095	0.000	0.000	0.000	0.000
220	A	245	SER	0	-0.036	-0.014	7.785	0.007	0.007	0.000	0.000	0.000	0.000
221	A	246	PRO	0	0.016	0.021	10.073	-0.067	-0.067	0.000	0.000	0.000	0.000
222	A	247	MET	0	-0.064	-0.010	10.210	0.151	0.151	0.000	0.000	0.000	0.000
223	A	248	PHE	0	0.021	-0.003	11.987	-0.111	-0.111	0.000	0.000	0.000	0.000
224	A	249	ILE	0	-0.009	-0.016	14.729	-0.004	-0.004	0.000	0.000	0.000	0.000
225	A	250	TYR	0	0.060	0.023	17.450	-0.014	-0.014	0.000	0.000	0.000	0.000
226	A	251	ASP	-1	-0.766	-0.871	20.187	0.178	0.178	0.000	0.000	0.000	0.000
227	A	252	ALA	0	0.045	0.002	23.714	-0.009	-0.009	0.000	0.000	0.000	0.000
228	A	253	GLU	-1	-0.853	-0.901	25.856	0.131	0.131	0.000	0.000	0.000	0.000
229	A	254	LYS	1	0.809	0.881	26.745	-0.181	-0.181	0.000	0.000	0.000	0.000
230	A	255	GLN	0	-0.049	-0.004	25.945	-0.009	-0.009	0.000	0.000	0.000	0.000
231	A	256	LYS	1	0.944	0.981	24.002	-0.185	-0.185	0.000	0.000	0.000	0.000
232	A	257	TRP	0	-0.026	-0.014	16.015	0.028	0.028	0.000	0.000	0.000	0.000
233	A	258	LEU	0	-0.006	0.000	19.573	-0.012	-0.012	0.000	0.000	0.000	0.000
234	A	259	ILE	0	-0.004	-0.004	15.359	0.039	0.039	0.000	0.000	0.000	0.000
235	A	260	ASN	0	-0.040	-0.042	16.190	-0.032	-0.032	0.000	0.000	0.000	0.000
236	A	261	GLY	0	0.042	0.003	15.411	-0.053	-0.053	0.000	0.000	0.000	0.000
237	A	262	ILE	0	-0.029	0.002	12.910	0.080	0.080	0.000	0.000	0.000	0.000
238	A	263	LEU	0	-0.049	-0.014	6.322	-0.092	-0.092	0.000	0.000	0.000	0.000
239	A	264	ARG	1	0.853	0.911	10.537	-0.570	-0.570	0.000	0.000	0.000	0.000
240	A	273	GLU	-1	-0.818	-0.885	8.156	0.192	0.192	0.000	0.000	0.000	0.000
241	A	274	ASN	0	-0.080	-0.041	5.703	0.316	0.316	0.000	0.000	0.000	0.000
242	A	275	GLY	0	0.070	0.039	9.599	-0.136	-0.136	0.000	0.000	0.000	0.000
243	A	276	PHE	0	-0.030	-0.024	8.710	0.212	0.212	0.000	0.000	0.000	0.000
244	A	277	GLN	0	0.012	0.002	13.651	-0.160	-0.160	0.000	0.000	0.000	0.000
245	A	278	LEU	0	-0.001	0.010	16.695	0.053	0.053	0.000	0.000	0.000	0.000
246	A	279	VAL	0	-0.014	-0.006	17.893	0.000	0.000	0.000	0.000	0.000	0.000
247	A	280	ARG	1	0.801	0.885	20.225	-0.437	-0.437	0.000	0.000	0.000	0.000
248	A	281	LYS	1	0.995	0.990	23.796	-0.238	-0.238	0.000	0.000	0.000	0.000
249	A	282	SER	0	0.043	0.021	26.144	-0.007	-0.007	0.000	0.000	0.000	0.000
250	A	283	TYR	0	-0.020	-0.015	24.819	-0.014	-0.014	0.000	0.000	0.000	0.000
251	A	284	PHE	0	-0.016	-0.017	25.144	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	285	ASP	-1	-0.821	-0.923	27.168	0.207	0.207	0.000	0.000	0.000	0.000
253	A	286	GLU	-1	-0.839	-0.895	30.632	0.192	0.192	0.000	0.000	0.000	0.000
254	A	287	ILE	0	-0.129	-0.071	27.329	-0.009	-0.009	0.000	0.000	0.000	0.000
255	A	288	PHE	0	0.010	0.006	29.773	-0.009	-0.009	0.000	0.000	0.000	0.000
256	A	289	GLU	-1	-0.899	-0.954	31.519	0.143	0.143	0.000	0.000	0.000	0.000
257	A	290	ARG	1	0.847	0.940	30.859	-0.201	-0.201	0.000	0.000	0.000	0.000
258	A	291	ASP	-1	-0.834	-0.889	31.510	0.186	0.186	0.000	0.000	0.000	0.000
259	A	292	LEU	0	-0.074	-0.029	34.868	-0.008	-0.008	0.000	0.000	0.000	0.000
260	A	293	HIS	0	0.022	0.021	36.831	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	294	THR	0	-0.024	-0.021	39.996	-0.008	-0.008	0.000	0.000	0.000	0.000
262	A	295	SER	0	-0.039	-0.028	42.202	0.002	0.002	0.000	0.000	0.000	0.000
263	A	296	LEU	0	-0.037	-0.017	44.039	-0.004	-0.004	0.000	0.000	0.000	0.000
264	A	297	TYR	0	0.002	-0.029	46.834	0.000	0.000	0.000	0.000	0.000	0.000
265	A	298	THR	0	0.026	0.003	49.180	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	299	ARG	1	0.961	0.973	52.839	-0.066	-0.066	0.000	0.000	0.000	0.000
267	A	300	ALA	0	-0.002	0.008	54.049	0.000	0.000	0.000	0.000	0.000	0.000
268	A	301	GLY	0	-0.021	-0.006	53.553	-0.002	-0.002	0.000	0.000	0.000	0.000
269	A	302	ASN	0	-0.045	-0.036	53.936	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	303	GLY	0	0.016	0.015	52.967	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	304	VAL	0	-0.047	-0.037	53.557	0.000	0.000	0.000	0.000	0.000	0.000
272	A	305	TYR	0	0.031	0.029	49.831	0.000	0.000	0.000	0.000	0.000	0.000
273	A	306	THR	0	-0.009	0.000	52.068	-0.002	-0.002	0.000	0.000	0.000	0.000
274	A	307	ILE	0	0.011	0.020	45.058	0.001	0.001	0.000	0.000	0.000	0.000
275	A	308	SER	0	-0.022	-0.009	49.446	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	309	GLY	0	0.051	0.004	47.004	0.004	0.004	0.000	0.000	0.000	0.000
277	A	310	ASN	0	-0.056	-0.023	47.203	-0.004	-0.004	0.000	0.000	0.000	0.000
278	A	311	ASP	-1	-0.812	-0.909	44.832	0.076	0.076	0.000	0.000	0.000	0.000
279	A	312	ASN	0	-0.044	-0.016	44.000	0.005	0.005	0.000	0.000	0.000	0.000
280	A	313	GLY	0	0.026	0.007	42.556	0.003	0.003	0.000	0.000	0.000	0.000
281	A	314	GLN	0	-0.058	-0.007	43.320	0.000	0.000	0.000	0.000	0.000	0.000
282	A	315	GLY	0	0.071	0.016	46.335	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	316	SER	0	-0.057	-0.059	47.215	0.002	0.002	0.000	0.000	0.000	0.000
284	A	317	ILE	0	-0.012	-0.008	45.459	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	318	THR	0	-0.002	0.000	50.037	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	319	GLN	0	-0.062	-0.049	52.408	0.001	0.001	0.000	0.000	0.000	0.000
287	A	320	LYS	1	0.958	0.985	54.339	-0.049	-0.049	0.000	0.000	0.000	0.000
288	A	321	SER	0	-0.050	-0.050	57.197	-0.003	-0.003	0.000	0.000	0.000	0.000
289	A	322	GLY	0	0.007	0.012	55.787	0.000	0.000	0.000	0.000	0.000	0.000
290	A	323	ILE	0	-0.052	0.033	56.274	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	324	PRO	0	0.045	-0.014	53.095	0.001	0.001	0.000	0.000	0.000	0.000
292	A	325	SER	0	0.068	0.022	54.563	0.001	0.001	0.000	0.000	0.000	0.000
293	A	326	GLU	-1	-0.886	-0.912	52.731	0.065	0.065	0.000	0.000	0.000	0.000
294	A	327	ILE	0	-0.003	0.004	47.599	0.001	0.001	0.000	0.000	0.000	0.000
295	A	328	LYS	1	0.879	0.951	48.142	-0.075	-0.075	0.000	0.000	0.000	0.000
296	A	329	ILE	0	0.021	0.015	43.644	0.002	0.002	0.000	0.000	0.000	0.000
297	A	330	THR	0	-0.032	-0.029	39.621	-0.004	-0.004	0.000	0.000	0.000	0.000
298	A	331	LEU	0	-0.050	-0.019	40.417	0.004	0.004	0.000	0.000	0.000	0.000
299	A	332	ALA	0	0.016	0.002	38.302	0.004	0.004	0.000	0.000	0.000	0.000
300	A	333	ASN	0	0.052	0.039	38.899	-0.010	-0.010	0.000	0.000	0.000	0.000
301	A	334	MET	0	-0.009	-0.021	39.683	0.006	0.006	0.000	0.000	0.000	0.000
302	A	335	SER	0	-0.079	-0.043	41.507	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	336	LEU	0	0.009	0.018	37.750	0.001	0.001	0.000	0.000	0.000	0.000
304	A	337	PRO	0	0.052	0.031	35.056	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	338	LEU	0	0.000	-0.004	32.280	0.007	0.007	0.000	0.000	0.000	0.000
306	A	339	LYS	1	0.925	0.966	28.111	-0.138	-0.138	0.000	0.000	0.000	0.000
307	A	340	GLU	-1	-0.826	-0.891	30.398	0.127	0.127	0.000	0.000	0.000	0.000
308	A	341	LYS	1	0.871	0.929	27.130	-0.172	-0.172	0.000	0.000	0.000	0.000
309	A	342	ASP	-1	-0.749	-0.862	26.988	0.220	0.220	0.000	0.000	0.000	0.000
310	A	343	LYS	1	0.925	0.946	28.847	-0.189	-0.189	0.000	0.000	0.000	0.000
311	A	344	VAL	0	0.015	0.012	25.388	0.023	0.023	0.000	0.000	0.000	0.000
312	A	345	HIS	0	-0.028	-0.015	26.492	-0.028	-0.028	0.000	0.000	0.000	0.000
313	A	346	ASN	0	-0.001	-0.024	23.620	-0.016	-0.016	0.000	0.000	0.000	0.000
314	A	347	PRO	0	0.031	0.012	24.753	0.016	0.016	0.000	0.000	0.000	0.000
315	A	348	ARG	1	0.935	0.975	18.971	-0.320	-0.320	0.000	0.000	0.000	0.000
316	A	349	TYR	0	-0.061	-0.036	19.412	0.033	0.033	0.000	0.000	0.000	0.000
317	A	350	ASP	-1	-0.742	-0.840	21.750	0.204	0.204	0.000	0.000	0.000	0.000
318	A	351	GLY	0	0.008	-0.007	22.199	0.021	0.021	0.000	0.000	0.000	0.000
319	A	352	PRO	0	-0.034	-0.032	21.750	-0.009	-0.009	0.000	0.000	0.000	0.000
320	A	353	ASN	0	0.003	-0.006	22.888	0.008	0.008	0.000	0.000	0.000	0.000
321	A	354	ILE	0	0.003	0.012	24.255	-0.013	-0.013	0.000	0.000	0.000	0.000
322	A	355	TYR	0	-0.041	-0.028	25.440	0.026	0.026	0.000	0.000	0.000	0.000
323	A	356	SER	0	-0.029	-0.041	28.040	-0.016	-0.016	0.000	0.000	0.000	0.000
324	A	357	PRO	0	0.025	0.015	31.099	0.001	0.001	0.000	0.000	0.000	0.000
325	A	358	ARG	1	0.872	0.947	34.204	-0.104	-0.104	0.000	0.000	0.000	0.000
326	A	359	LEU	0	0.017	-0.009	31.324	-0.004	-0.004	0.000	0.000	0.000	0.000
327	A	360	ASN	0	0.006	-0.015	31.494	0.008	0.008	0.000	0.000	0.000	0.000
328	A	361	ASN	0	-0.051	-0.020	33.311	0.002	0.002	0.000	0.000	0.000	0.000
329	A	362	GLY	0	0.012	0.031	36.503	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	363	GLU	-1	-0.768	-0.841	36.021	0.120	0.120	0.000	0.000	0.000	0.000
331	A	364	THR	0	-0.014	-0.028	34.186	-0.006	-0.006	0.000	0.000	0.000	0.000
332	A	365	LEU	0	-0.024	0.009	37.351	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	366	TYR	0	0.041	0.012	39.114	0.001	0.001	0.000	0.000	0.000	0.000
334	A	367	PHE	0	0.004	0.017	41.264	-0.005	-0.005	0.000	0.000	0.000	0.000
335	A	368	MET	0	0.023	0.018	43.830	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	369	ASP	-1	-0.813	-0.929	45.801	0.059	0.059	0.000	0.000	0.000	0.000
337	A	370	GLN	0	0.016	0.013	48.539	0.000	0.000	0.000	0.000	0.000	0.000
338	A	371	LYS	1	0.842	0.932	50.638	-0.054	-0.054	0.000	0.000	0.000	0.000
339	A	372	GLN	0	0.031	0.021	51.205	0.001	0.001	0.000	0.000	0.000	0.000
340	A	373	GLY	0	0.061	0.060	50.500	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	374	SER	0	-0.030	-0.020	51.346	-0.002	-0.002	0.000	0.000	0.000	0.000
342	A	375	LEU	0	-0.013	-0.007	45.728	0.002	0.002	0.000	0.000	0.000	0.000
343	A	376	ILE	0	-0.004	-0.005	50.001	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	377	PHE	0	0.026	0.003	44.297	0.002	0.002	0.000	0.000	0.000	0.000
345	A	378	ALA	0	0.009	-0.003	50.306	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	379	SER	0	0.002	-0.018	48.780	-0.002	-0.002	0.000	0.000	0.000	0.000
347	A	380	ASP	-1	-0.808	-0.882	46.220	0.063	0.063	0.000	0.000	0.000	0.000
348	A	381	ILE	0	-0.028	0.001	42.454	0.002	0.002	0.000	0.000	0.000	0.000
349	A	382	ASN	0	0.023	0.005	38.622	0.007	0.007	0.000	0.000	0.000	0.000
350	A	383	GLN	0	0.029	-0.017	38.135	-0.003	-0.003	0.000	0.000	0.000	0.000
351	A	384	GLY	0	0.006	0.010	36.084	0.006	0.006	0.000	0.000	0.000	0.000
352	A	385	ALA	0	-0.031	-0.016	31.408	0.002	0.002	0.000	0.000	0.000	0.000
353	A	386	GLY	0	0.033	0.038	33.054	0.010	0.010	0.000	0.000	0.000	0.000
354	A	387	GLY	0	-0.007	-0.006	35.187	-0.004	-0.004	0.000	0.000	0.000	0.000
355	A	388	LEU	0	-0.018	0.002	36.062	-0.004	-0.004	0.000	0.000	0.000	0.000
356	A	389	TYR	0	0.034	0.018	32.185	0.003	0.003	0.000	0.000	0.000	0.000
357	A	390	PHE	0	-0.011	-0.014	38.740	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	391	GLU	-1	-0.864	-0.904	40.855	0.097	0.097	0.000	0.000	0.000	0.000
359	A	392	GLY	0	0.094	0.032	42.883	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	393	ASN	0	-0.055	-0.038	45.544	0.003	0.003	0.000	0.000	0.000	0.000
361	A	394	PHE	0	0.009	0.004	46.237	0.000	0.000	0.000	0.000	0.000	0.000
362	A	395	THR	0	-0.027	-0.008	48.460	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	396	VAL	0	-0.019	-0.012	45.591	0.000	0.000	0.000	0.000	0.000	0.000
364	A	397	SER	0	0.021	0.003	48.829	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	398	PRO	0	-0.019	0.015	50.183	0.002	0.002	0.000	0.000	0.000	0.000
366	A	399	ASN	0	-0.014	-0.028	51.854	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	400	SER	0	-0.086	-0.061	53.964	-0.003	-0.003	0.000	0.000	0.000	0.000
368	A	401	ASN	0	0.031	0.034	51.103	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	402	GLN	0	-0.003	0.028	49.062	0.000	0.000	0.000	0.000	0.000	0.000
370	A	403	THR	0	-0.044	-0.035	44.336	0.001	0.001	0.000	0.000	0.000	0.000
371	A	404	TRP	0	0.006	-0.007	36.797	0.001	0.001	0.000	0.000	0.000	0.000
372	A	405	GLN	0	-0.047	-0.037	36.686	-0.004	-0.004	0.000	0.000	0.000	0.000
373	A	406	GLY	0	0.034	0.019	36.497	0.000	0.000	0.000	0.000	0.000	0.000
374	A	407	ALA	0	0.016	0.008	31.905	0.000	0.000	0.000	0.000	0.000	0.000
375	A	408	GLY	0	0.013	-0.012	32.347	0.005	0.005	0.000	0.000	0.000	0.000
376	A	409	ILE	0	-0.035	-0.012	34.524	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	410	HIS	0	0.008	0.002	32.871	-0.005	-0.005	0.000	0.000	0.000	0.000
378	A	411	VAL	0	-0.019	0.007	36.297	-0.004	-0.004	0.000	0.000	0.000	0.000
379	A	412	SER	0	0.019	-0.014	38.044	0.004	0.004	0.000	0.000	0.000	0.000
380	A	413	GLU	-1	-0.831	-0.910	38.169	0.086	0.086	0.000	0.000	0.000	0.000
381	A	414	ASN	0	-0.050	-0.031	39.932	-0.004	-0.004	0.000	0.000	0.000	0.000
382	A	415	SER	0	0.011	0.040	42.447	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	416	THR	0	-0.023	-0.022	43.339	0.001	0.001	0.000	0.000	0.000	0.000
384	A	417	VAL	0	-0.001	0.002	42.902	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	418	THR	0	0.000	0.000	45.095	0.000	0.000	0.000	0.000	0.000	0.000
386	A	419	TRP	0	0.001	-0.007	42.485	0.002	0.002	0.000	0.000	0.000	0.000
387	A	420	LYS	1	0.913	0.945	46.133	-0.050	-0.050	0.000	0.000	0.000	0.000
388	A	421	VAL	0	-0.007	0.009	44.925	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	422	ASN	0	0.007	-0.011	44.882	0.003	0.003	0.000	0.000	0.000	0.000
390	A	423	GLY	0	0.019	0.000	41.307	0.004	0.004	0.000	0.000	0.000	0.000
391	A	424	VAL	0	-0.011	-0.007	39.813	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	425	GLU	-1	-0.811	-0.902	39.377	0.054	0.054	0.000	0.000	0.000	0.000
393	A	426	HIS	0	-0.062	-0.038	35.809	0.006	0.006	0.000	0.000	0.000	0.000
394	A	427	ASP	-1	-0.843	-0.888	34.907	0.116	0.116	0.000	0.000	0.000	0.000
395	A	428	ARG	1	0.846	0.933	27.412	-0.143	-0.143	0.000	0.000	0.000	0.000
396	A	429	LEU	0	0.037	0.022	33.718	0.009	0.009	0.000	0.000	0.000	0.000
397	A	430	SER	0	-0.003	-0.021	29.832	-0.005	-0.005	0.000	0.000	0.000	0.000
398	A	431	LYS	1	0.794	0.912	32.839	-0.098	-0.098	0.000	0.000	0.000	0.000
399	A	432	ILE	0	0.012	-0.002	30.023	0.002	0.002	0.000	0.000	0.000	0.000
400	A	433	GLY	0	0.052	0.038	32.895	-0.006	-0.006	0.000	0.000	0.000	0.000
401	A	434	LYS	1	0.872	0.894	33.672	-0.103	-0.103	0.000	0.000	0.000	0.000
402	A	435	GLY	0	0.021	0.020	36.555	-0.007	-0.007	0.000	0.000	0.000	0.000
403	A	436	THR	0	-0.029	-0.036	39.205	0.001	0.001	0.000	0.000	0.000	0.000
404	A	437	LEU	0	-0.025	-0.010	39.956	0.001	0.001	0.000	0.000	0.000	0.000
405	A	438	HIS	0	-0.045	-0.038	42.130	0.000	0.000	0.000	0.000	0.000	0.000
406	A	439	VAL	0	0.005	0.002	42.052	0.000	0.000	0.000	0.000	0.000	0.000
407	A	440	GLN	0	-0.029	-0.024	45.237	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	441	ALA	0	0.025	0.027	47.231	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	442	LYS	1	0.863	0.926	49.017	-0.039	-0.039	0.000	0.000	0.000	0.000
410	A	443	GLY	0	0.032	0.028	50.364	0.002	0.002	0.000	0.000	0.000	0.000
411	A	444	GLU	-1	-0.934	-0.980	45.789	0.042	0.042	0.000	0.000	0.000	0.000
412	A	445	ASN	0	0.019	0.010	41.485	0.003	0.003	0.000	0.000	0.000	0.000
413	A	446	LYS	1	0.920	0.944	42.516	-0.048	-0.048	0.000	0.000	0.000	0.000
414	A	447	GLY	0	0.007	0.036	38.992	0.001	0.001	0.000	0.000	0.000	0.000
415	A	448	SER	0	-0.020	-0.002	34.456	-0.002	-0.002	0.000	0.000	0.000	0.000
416	A	449	ILE	0	-0.014	-0.014	35.225	0.005	0.005	0.000	0.000	0.000	0.000
417	A	450	SER	0	-0.008	0.007	29.184	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	451	VAL	0	0.016	-0.010	32.340	0.006	0.006	0.000	0.000	0.000	0.000
419	A	452	GLY	0	0.014	0.011	30.048	-0.002	-0.002	0.000	0.000	0.000	0.000
420	A	453	ASP	-1	-0.870	-0.942	30.649	0.124	0.124	0.000	0.000	0.000	0.000
421	A	454	GLY	0	0.040	0.049	32.972	-0.003	-0.003	0.000	0.000	0.000	0.000
422	A	455	LYS	1	0.828	0.908	36.588	-0.056	-0.056	0.000	0.000	0.000	0.000
423	A	456	VAL	0	0.021	0.024	37.784	0.002	0.002	0.000	0.000	0.000	0.000
424	A	457	ILE	0	-0.039	-0.014	40.431	-0.003	-0.003	0.000	0.000	0.000	0.000
425	A	458	LEU	0	-0.022	-0.016	40.985	0.002	0.002	0.000	0.000	0.000	0.000
426	A	459	GLU	-1	-0.808	-0.893	44.927	0.039	0.039	0.000	0.000	0.000	0.000
427	A	460	GLN	0	0.017	0.057	46.346	0.002	0.002	0.000	0.000	0.000	0.000
428	A	461	GLN	0	-0.025	-0.022	48.870	-0.004	-0.004	0.000	0.000	0.000	0.000
429	A	462	ALA	0	0.004	-0.004	52.121	0.001	0.001	0.000	0.000	0.000	0.000
430	A	463	ASP	-1	-0.786	-0.904	53.435	0.035	0.035	0.000	0.000	0.000	0.000
431	A	464	ASP	-1	-0.858	-0.923	55.268	0.032	0.032	0.000	0.000	0.000	0.000
432	A	465	GLN	0	-0.055	-0.027	56.374	0.000	0.000	0.000	0.000	0.000	0.000
433	A	466	GLY	0	-0.002	0.012	56.507	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	467	ASN	0	-0.100	-0.056	51.280	-0.002	-0.002	0.000	0.000	0.000	0.000
435	A	468	LYS	1	0.797	0.874	49.800	-0.031	-0.031	0.000	0.000	0.000	0.000
436	A	469	GLN	0	-0.080	-0.029	43.934	-0.004	-0.004	0.000	0.000	0.000	0.000
437	A	470	ALA	0	0.004	-0.029	43.338	0.002	0.002	0.000	0.000	0.000	0.000
438	A	471	PHE	0	-0.015	-0.017	39.052	0.005	0.005	0.000	0.000	0.000	0.000
439	A	472	SER	0	-0.009	-0.007	39.058	-0.003	-0.003	0.000	0.000	0.000	0.000
440	A	473	GLU	-1	-0.934	-0.990	33.120	0.065	0.065	0.000	0.000	0.000	0.000
441	A	474	ILE	0	-0.029	-0.004	35.852	0.005	0.005	0.000	0.000	0.000	0.000
442	A	475	GLY	0	0.047	0.027	31.844	-0.006	-0.006	0.000	0.000	0.000	0.000
443	A	476	LEU	0	-0.087	-0.023	32.084	0.005	0.005	0.000	0.000	0.000	0.000
444	A	477	VAL	0	-0.038	-0.016	26.672	-0.004	-0.004	0.000	0.000	0.000	0.000
445	A	478	SER	0	-0.010	-0.009	26.000	0.006	0.006	0.000	0.000	0.000	0.000
446	A	479	GLY	0	0.015	0.008	26.997	0.002	0.002	0.000	0.000	0.000	0.000
447	A	480	ARG	1	0.770	0.871	27.704	-0.156	-0.156	0.000	0.000	0.000	0.000
448	A	481	GLY	0	0.007	0.029	31.655	-0.003	-0.003	0.000	0.000	0.000	0.000
449	A	482	THR	0	-0.039	-0.037	34.036	-0.008	-0.008	0.000	0.000	0.000	0.000
450	A	483	VAL	0	0.017	0.013	36.958	0.002	0.002	0.000	0.000	0.000	0.000
451	A	484	GLN	0	0.031	0.021	39.372	-0.002	-0.002	0.000	0.000	0.000	0.000
452	A	485	LEU	0	-0.033	-0.011	42.784	0.002	0.002	0.000	0.000	0.000	0.000
453	A	486	ASN	0	0.020	-0.005	45.691	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	487	ASP	-1	-0.772	-0.850	48.622	0.032	0.032	0.000	0.000	0.000	0.000
455	A	488	ASP	-1	-0.881	-0.925	48.683	0.026	0.026	0.000	0.000	0.000	0.000
456	A	489	LYS	1	0.926	0.947	48.232	-0.020	-0.020	0.000	0.000	0.000	0.000
457	A	490	GLN	0	0.054	0.030	45.226	0.003	0.003	0.000	0.000	0.000	0.000
458	A	491	PHE	0	0.029	0.013	40.731	0.003	0.003	0.000	0.000	0.000	0.000
459	A	492	ASP	-1	-0.749	-0.848	41.833	0.025	0.025	0.000	0.000	0.000	0.000
460	A	493	THR	0	-0.024	-0.029	40.677	0.003	0.003	0.000	0.000	0.000	0.000
461	A	494	ASP	-1	-0.877	-0.948	38.948	0.016	0.016	0.000	0.000	0.000	0.000
462	A	495	LYS	1	0.795	0.885	36.829	-0.030	-0.030	0.000	0.000	0.000	0.000
463	A	496	PHE	0	0.008	0.009	35.932	0.006	0.006	0.000	0.000	0.000	0.000
464	A	497	TYR	0	-0.030	-0.015	28.635	-0.005	-0.005	0.000	0.000	0.000	0.000
465	A	498	PHE	0	-0.023	-0.003	31.028	0.006	0.006	0.000	0.000	0.000	0.000
466	A	499	GLY	0	0.063	0.018	27.559	-0.007	-0.007	0.000	0.000	0.000	0.000
467	A	500	PHE	0	0.008	-0.007	20.054	-0.007	-0.007	0.000	0.000	0.000	0.000
468	A	501	ARG	1	0.832	0.867	20.335	-0.145	-0.145	0.000	0.000	0.000	0.000
469	A	502	GLY	0	-0.017	0.011	26.323	-0.004	-0.004	0.000	0.000	0.000	0.000
470	A	503	GLY	0	0.049	0.022	29.751	0.011	0.011	0.000	0.000	0.000	0.000
471	A	504	ARG	1	0.843	0.914	32.735	-0.059	-0.059	0.000	0.000	0.000	0.000
472	A	505	LEU	0	0.034	0.024	36.512	0.003	0.003	0.000	0.000	0.000	0.000
473	A	506	ASP	-1	-0.817	-0.927	38.911	0.035	0.035	0.000	0.000	0.000	0.000
474	A	507	LEU	0	0.011	-0.023	42.262	0.001	0.001	0.000	0.000	0.000	0.000
475	A	508	ASN	0	-0.024	-0.009	44.987	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	509	GLY	0	0.010	0.008	47.527	0.000	0.000	0.000	0.000	0.000	0.000
477	A	510	HIS	1	0.829	0.921	47.902	-0.031	-0.031	0.000	0.000	0.000	0.000
478	A	511	SER	0	-0.010	-0.024	48.140	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	512	LEU	0	0.001	0.014	42.760	0.001	0.001	0.000	0.000	0.000	0.000
480	A	513	THR	0	-0.013	-0.012	45.716	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	514	PHE	0	0.026	0.017	38.915	0.002	0.002	0.000	0.000	0.000	0.000
482	A	515	LYS	1	0.905	0.978	40.984	-0.014	-0.014	0.000	0.000	0.000	0.000
483	A	516	ARG	1	0.833	0.871	32.117	-0.011	-0.011	0.000	0.000	0.000	0.000
484	A	517	ILE	0	0.008	0.013	34.971	0.003	0.003	0.000	0.000	0.000	0.000
485	A	518	GLN	0	0.023	0.052	31.928	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	519	ASN	0	-0.039	-0.032	30.734	0.003	0.003	0.000	0.000	0.000	0.000
487	A	520	THR	0	0.004	0.016	24.241	-0.007	-0.007	0.000	0.000	0.000	0.000
488	A	521	ASP	-1	-0.817	-0.914	25.137	0.048	0.048	0.000	0.000	0.000	0.000
489	A	522	GLU	-1	-0.781	-0.875	27.286	0.002	0.002	0.000	0.000	0.000	0.000
490	A	523	GLY	0	0.007	0.012	28.343	0.001	0.001	0.000	0.000	0.000	0.000
491	A	524	ALA	0	-0.067	-0.023	29.698	0.004	0.004	0.000	0.000	0.000	0.000
492	A	525	MET	0	-0.009	0.008	32.327	-0.006	-0.006	0.000	0.000	0.000	0.000
493	A	526	ILE	0	0.014	0.019	35.782	0.003	0.003	0.000	0.000	0.000	0.000
494	A	527	VAL	0	-0.010	-0.004	39.194	-0.004	-0.004	0.000	0.000	0.000	0.000
495	A	528	ASN	0	0.001	-0.022	41.919	0.003	0.003	0.000	0.000	0.000	0.000
496	A	529	HIS	0	-0.059	-0.035	40.945	0.000	0.000	0.000	0.000	0.000	0.000
497	A	530	ASN	0	0.013	0.018	46.209	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	531	THR	0	0.009	-0.007	49.773	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	532	THR	0	-0.054	-0.019	52.214	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	533	GLN	0	-0.019	0.000	53.075	0.000	0.000	0.000	0.000	0.000	0.000
501	A	534	ALA	0	0.003	-0.004	51.553	0.001	0.001	0.000	0.000	0.000	0.000
502	A	535	ALA	0	0.037	0.030	47.601	0.001	0.001	0.000	0.000	0.000	0.000
503	A	536	ASN	0	-0.016	-0.015	48.334	-0.003	-0.003	0.000	0.000	0.000	0.000
504	A	537	VAL	0	0.053	0.036	41.997	0.002	0.002	0.000	0.000	0.000	0.000
505	A	538	THR	0	-0.039	-0.020	45.478	-0.003	-0.003	0.000	0.000	0.000	0.000
506	A	539	ILE	0	-0.008	0.000	39.914	0.002	0.002	0.000	0.000	0.000	0.000
507	A	540	THR	0	-0.008	-0.022	43.694	-0.002	-0.002	0.000	0.000	0.000	0.000
508	A	541	GLY	0	0.010	0.007	41.236	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	542	ASN	0	-0.043	-0.034	37.082	0.006	0.006	0.000	0.000	0.000	0.000
510	A	543	GLU	-1	-0.858	-0.931	41.414	0.003	0.003	0.000	0.000	0.000	0.000
511	A	544	SER	0	0.005	0.000	42.926	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	545	ILE	0	-0.006	-0.014	40.915	0.000	0.000	0.000	0.000	0.000	0.000
513	A	546	VAL	0	-0.042	-0.013	41.658	-0.004	-0.004	0.000	0.000	0.000	0.000
514	A	547	LEU	0	-0.033	-0.023	36.907	0.002	0.002	0.000	0.000	0.000	0.000
515	A	548	PRO	0	0.022	0.033	38.595	0.000	0.000	0.000	0.000	0.000	0.000
516	A	549	ASN	0	0.019	-0.001	40.198	-0.005	-0.005	0.000	0.000	0.000	0.000
517	A	550	GLY	0	0.017	0.006	38.959	0.003	0.003	0.000	0.000	0.000	0.000
518	A	551	ASN	0	-0.019	-0.021	34.277	-0.007	-0.007	0.000	0.000	0.000	0.000
519	A	552	ASN	0	0.002	-0.005	32.780	0.000	0.000	0.000	0.000	0.000	0.000
520	A	553	ILE	0	0.008	0.019	33.801	0.002	0.002	0.000	0.000	0.000	0.000
521	A	554	ASN	0	0.031	0.005	31.601	-0.005	-0.005	0.000	0.000	0.000	0.000
522	A	555	LYS	1	0.964	0.966	31.643	0.039	0.039	0.000	0.000	0.000	0.000
523	A	556	LEU	0	-0.023	-0.003	29.144	-0.004	-0.004	0.000	0.000	0.000	0.000
524	A	557	ASP	-1	-0.792	-0.871	33.352	0.008	0.008	0.000	0.000	0.000	0.000
525	A	558	TYR	0	-0.015	-0.008	36.403	0.000	0.000	0.000	0.000	0.000	0.000
526	A	559	ARG	1	0.796	0.893	32.364	0.042	0.042	0.000	0.000	0.000	0.000
527	A	560	LYS	1	0.930	0.963	37.453	0.040	0.040	0.000	0.000	0.000	0.000
528	A	561	GLU	-1	-0.836	-0.901	35.534	-0.038	-0.038	0.000	0.000	0.000	0.000
529	A	562	ILE	0	-0.026	0.007	35.292	0.001	0.001	0.000	0.000	0.000	0.000
530	A	563	ALA	0	0.030	0.000	32.420	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	564	TYR	0	-0.040	-0.025	33.682	0.006	0.006	0.000	0.000	0.000	0.000
532	A	565	ASN	0	0.014	-0.010	27.480	-0.007	-0.007	0.000	0.000	0.000	0.000
533	A	566	GLY	0	0.029	0.036	31.373	0.001	0.001	0.000	0.000	0.000	0.000
534	A	567	TRP	0	-0.012	-0.012	32.945	-0.007	-0.007	0.000	0.000	0.000	0.000
535	A	568	PHE	0	-0.011	0.004	36.331	0.003	0.003	0.000	0.000	0.000	0.000
536	A	569	GLY	0	0.044	0.013	40.016	-0.003	-0.003	0.000	0.000	0.000	0.000
537	A	570	GLU	-1	-0.767	-0.871	39.309	0.041	0.041	0.000	0.000	0.000	0.000
538	A	571	THR	0	-0.002	-0.006	36.369	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	572	ASP	-1	-0.893	-0.938	38.164	0.045	0.045	0.000	0.000	0.000	0.000
540	A	573	LYS	1	0.979	0.972	39.700	-0.019	-0.019	0.000	0.000	0.000	0.000
541	A	574	ASN	0	-0.024	-0.006	41.531	-0.003	-0.003	0.000	0.000	0.000	0.000
542	A	575	LYS	1	0.868	0.950	37.920	-0.052	-0.052	0.000	0.000	0.000	0.000
543	A	576	HIS	0	0.009	0.009	43.597	-0.004	-0.004	0.000	0.000	0.000	0.000
544	A	577	ASN	0	-0.017	-0.022	44.600	0.002	0.002	0.000	0.000	0.000	0.000
545	A	578	GLY	0	0.060	0.038	46.076	-0.002	-0.002	0.000	0.000	0.000	0.000
546	A	579	ARG	1	0.802	0.870	47.686	-0.011	-0.011	0.000	0.000	0.000	0.000
547	A	580	LEU	0	-0.014	0.004	43.102	0.002	0.002	0.000	0.000	0.000	0.000
548	A	581	ASN	0	-0.012	0.000	47.657	-0.003	-0.003	0.000	0.000	0.000	0.000
549	A	582	LEU	0	-0.003	0.004	42.069	0.002	0.002	0.000	0.000	0.000	0.000
550	A	583	ILE	0	-0.019	-0.014	46.146	-0.002	-0.002	0.000	0.000	0.000	0.000
551	A	584	TYR	0	-0.006	-0.010	42.845	0.002	0.002	0.000	0.000	0.000	0.000
552	A	585	LYS	1	0.967	0.967	46.013	-0.004	-0.004	0.000	0.000	0.000	0.000
553	A	586	PRO	0	0.014	0.026	44.961	0.001	0.001	0.000	0.000	0.000	0.000
554	A	587	THR	0	0.033	0.009	46.929	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	588	THR	0	-0.014	-0.007	47.227	0.000	0.000	0.000	0.000	0.000	0.000
556	A	589	GLU	-1	-0.754	-0.882	47.565	-0.016	-0.016	0.000	0.000	0.000	0.000
557	A	590	ASP	-1	-0.893	-0.937	43.913	-0.034	-0.034	0.000	0.000	0.000	0.000
558	A	591	ARG	1	0.909	0.969	42.315	0.014	0.014	0.000	0.000	0.000	0.000
559	A	592	THR	0	-0.039	-0.020	38.811	0.001	0.001	0.000	0.000	0.000	0.000
560	A	593	LEU	0	0.027	0.031	37.879	0.001	0.001	0.000	0.000	0.000	0.000
561	A	594	LEU	0	-0.024	-0.016	32.686	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	595	LEU	0	0.014	0.011	35.775	0.004	0.004	0.000	0.000	0.000	0.000
563	A	596	SER	0	0.005	-0.006	31.576	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	597	GLY	0	0.035	0.033	32.342	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	598	GLY	0	0.015	-0.001	33.530	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	599	THR	0	-0.042	-0.027	36.847	0.002	0.002	0.000	0.000	0.000	0.000
567	A	600	ASN	0	-0.049	-0.043	40.372	-0.004	-0.004	0.000	0.000	0.000	0.000
568	A	601	LEU	0	0.007	0.005	42.562	0.003	0.003	0.000	0.000	0.000	0.000
569	A	602	LYS	1	0.909	0.956	45.485	-0.012	-0.012	0.000	0.000	0.000	0.000
570	A	603	GLY	0	0.039	0.009	48.806	0.002	0.002	0.000	0.000	0.000	0.000
571	A	604	ASP	-1	-0.806	-0.873	49.414	0.000	0.000	0.000	0.000	0.000	0.000
572	A	605	ILE	0	0.010	-0.001	43.584	0.001	0.001	0.000	0.000	0.000	0.000
573	A	606	THR	0	-0.029	-0.015	47.711	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	607	GLN	0	-0.031	-0.017	46.209	0.001	0.001	0.000	0.000	0.000	0.000
575	A	608	THR	0	0.028	-0.004	49.051	0.000	0.000	0.000	0.000	0.000	0.000
576	A	609	LYS	1	0.821	0.899	49.276	0.011	0.011	0.000	0.000	0.000	0.000
577	A	610	GLY	0	0.010	0.020	46.095	0.001	0.001	0.000	0.000	0.000	0.000
578	A	611	LYS	1	0.818	0.889	42.498	0.030	0.030	0.000	0.000	0.000	0.000
579	A	612	LEU	0	0.026	0.023	41.311	0.001	0.001	0.000	0.000	0.000	0.000
580	A	613	PHE	0	-0.010	-0.007	38.140	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	614	PHE	0	0.032	0.016	38.714	0.003	0.003	0.000	0.000	0.000	0.000
582	A	615	SER	0	-0.024	-0.033	33.813	-0.005	-0.005	0.000	0.000	0.000	0.000
583	A	616	GLY	0	0.068	0.050	33.026	0.006	0.006	0.000	0.000	0.000	0.000
584	A	617	ARG	1	0.748	0.823	23.765	0.050	0.050	0.000	0.000	0.000	0.000
585	A	618	PRO	0	0.035	0.034	25.120	0.001	0.001	0.000	0.000	0.000	0.000
586	A	619	THR	0	0.000	-0.022	21.902	0.019	0.019	0.000	0.000	0.000	0.000
587	A	620	PRO	0	-0.003	0.000	20.267	-0.018	-0.018	0.000	0.000	0.000	0.000
588	A	621	HIS	1	0.798	0.866	17.303	0.192	0.192	0.000	0.000	0.000	0.000
589	A	622	ALA	0	-0.053	-0.022	12.535	0.016	0.016	0.000	0.000	0.000	0.000
590	A	623	TYR	0	0.016	0.006	14.382	-0.039	-0.039	0.000	0.000	0.000	0.000
591	A	624	ASN	0	0.005	-0.012	12.951	-0.172	-0.172	0.000	0.000	0.000	0.000
592	A	625	HIS	0	-0.034	-0.024	10.761	0.042	0.042	0.000	0.000	0.000	0.000
593	A	626	LEU	0	-0.043	0.003	9.159	-0.023	-0.023	0.000	0.000	0.000	0.000
594	A	627	ASN	0	0.008	0.008	12.679	0.099	0.099	0.000	0.000	0.000	0.000
595	A	628	LYS	1	0.880	0.909	15.551	0.272	0.272	0.000	0.000	0.000	0.000
596	A	629	ARG	1	0.924	0.978	14.903	0.676	0.676	0.000	0.000	0.000	0.000
597	A	630	TRP	0	-0.039	-0.035	12.399	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	631	SER	0	0.014	0.009	14.520	-0.050	-0.050	0.000	0.000	0.000	0.000
599	A	632	GLU	-1	-0.814	-0.890	15.974	-0.311	-0.311	0.000	0.000	0.000	0.000
600	A	633	MET	0	-0.085	-0.021	14.689	0.009	0.009	0.000	0.000	0.000	0.000
601	A	634	GLU	-1	-0.809	-0.897	13.320	-0.850	-0.850	0.000	0.000	0.000	0.000
602	A	635	GLY	0	-0.001	0.018	15.778	0.041	0.041	0.000	0.000	0.000	0.000
603	A	636	ILE	0	-0.058	-0.028	13.801	0.041	0.041	0.000	0.000	0.000	0.000
604	A	637	PRO	0	0.029	0.007	18.323	-0.016	-0.016	0.000	0.000	0.000	0.000
605	A	638	GLN	0	0.000	0.004	17.361	-0.054	-0.054	0.000	0.000	0.000	0.000
606	A	639	GLY	0	0.016	0.015	16.915	0.042	0.042	0.000	0.000	0.000	0.000
607	A	640	GLU	-1	-0.822	-0.899	17.472	-0.139	-0.139	0.000	0.000	0.000	0.000
608	A	641	ILE	0	-0.008	0.011	16.054	-0.003	-0.003	0.000	0.000	0.000	0.000
609	A	642	VAL	0	0.017	0.002	19.282	0.025	0.025	0.000	0.000	0.000	0.000
610	A	643	TRP	0	-0.025	-0.019	18.330	0.004	0.004	0.000	0.000	0.000	0.000
611	A	644	ASP	-1	-0.783	-0.896	24.279	-0.096	-0.096	0.000	0.000	0.000	0.000
612	A	645	HIS	0	0.036	0.026	24.686	0.024	0.024	0.000	0.000	0.000	0.000
613	A	646	ASP	-1	-0.857	-0.900	23.004	-0.122	-0.122	0.000	0.000	0.000	0.000
614	A	647	TRP	0	0.012	0.003	25.884	0.004	0.004	0.000	0.000	0.000	0.000
615	A	648	ILE	0	0.005	0.006	25.419	0.003	0.003	0.000	0.000	0.000	0.000
616	A	649	ASN	0	0.005	-0.003	29.318	-0.002	-0.002	0.000	0.000	0.000	0.000
617	A	650	ARG	1	0.778	0.861	29.039	0.015	0.015	0.000	0.000	0.000	0.000
618	A	651	THR	0	-0.014	-0.005	35.120	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	652	PHE	0	-0.016	-0.013	36.339	0.003	0.003	0.000	0.000	0.000	0.000
620	A	653	LYS	1	0.837	0.919	40.993	-0.004	-0.004	0.000	0.000	0.000	0.000
621	A	654	ALA	0	-0.018	0.008	44.220	0.002	0.002	0.000	0.000	0.000	0.000
622	A	655	GLU	-1	-0.794	-0.855	47.014	0.007	0.007	0.000	0.000	0.000	0.000
623	A	656	ASN	0	-0.044	-0.041	50.788	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	657	PHE	0	-0.002	0.008	44.666	0.001	0.001	0.000	0.000	0.000	0.000
625	A	658	GLN	0	-0.008	-0.015	50.001	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	659	ILE	0	-0.029	-0.016	48.115	0.001	0.001	0.000	0.000	0.000	0.000
627	A	660	LYS	1	0.934	0.965	51.591	0.002	0.002	0.000	0.000	0.000	0.000
628	A	661	GLY	0	0.044	0.018	52.377	0.000	0.000	0.000	0.000	0.000	0.000
629	A	662	GLY	0	-0.031	-0.007	49.511	0.000	0.000	0.000	0.000	0.000	0.000
630	A	663	SER	0	0.000	-0.003	46.667	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	664	ALA	0	0.029	0.029	45.243	0.000	0.000	0.000	0.000	0.000	0.000
632	A	665	VAL	0	-0.028	-0.022	41.768	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	666	VAL	0	0.006	0.008	41.299	0.001	0.001	0.000	0.000	0.000	0.000
634	A	667	SER	0	-0.004	-0.011	37.522	-0.004	-0.004	0.000	0.000	0.000	0.000
635	A	668	ARG	1	0.850	0.914	31.054	0.088	0.088	0.000	0.000	0.000	0.000
636	A	669	ASN	0	0.011	-0.016	32.718	-0.002	-0.002	0.000	0.000	0.000	0.000
637	A	670	VAL	0	0.055	0.051	34.967	0.004	0.004	0.000	0.000	0.000	0.000
638	A	671	SER	0	0.007	-0.001	36.765	-0.003	-0.003	0.000	0.000	0.000	0.000
639	A	672	SER	0	-0.004	-0.010	38.805	0.000	0.000	0.000	0.000	0.000	0.000
640	A	673	ILE	0	-0.049	-0.013	41.246	0.001	0.001	0.000	0.000	0.000	0.000
641	A	674	GLU	-1	-0.833	-0.906	43.757	-0.002	-0.002	0.000	0.000	0.000	0.000
642	A	675	GLY	0	0.067	0.031	46.624	0.002	0.002	0.000	0.000	0.000	0.000
643	A	676	ASN	0	-0.025	-0.005	49.585	-0.003	-0.003	0.000	0.000	0.000	0.000
644	A	677	TRP	0	0.027	0.004	45.673	0.000	0.000	0.000	0.000	0.000	0.000
645	A	678	THR	0	-0.006	-0.005	52.589	0.000	0.000	0.000	0.000	0.000	0.000
646	A	679	VAL	0	-0.037	-0.012	52.265	0.000	0.000	0.000	0.000	0.000	0.000
647	A	680	SER	0	0.058	0.031	54.859	0.000	0.000	0.000	0.000	0.000	0.000
648	A	681	ASN	0	-0.052	-0.047	56.563	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	682	ASN	0	0.029	0.004	56.708	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	683	ALA	0	-0.047	0.007	52.577	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	684	ASN	0	0.015	-0.007	49.987	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	685	ALA	0	0.027	0.017	48.505	0.001	0.001	0.000	0.000	0.000	0.000
653	A	686	THR	0	-0.017	-0.006	45.382	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	687	PHE	0	-0.004	-0.017	44.723	0.000	0.000	0.000	0.000	0.000	0.000
655	A	688	GLY	0	0.065	0.050	42.428	0.000	0.000	0.000	0.000	0.000	0.000
656	A	689	VAL	0	-0.045	-0.020	38.001	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	690	VAL	0	-0.001	-0.021	41.359	0.001	0.001	0.000	0.000	0.000	0.000
658	A	691	PRO	0	0.022	0.000	40.413	-0.003	-0.003	0.000	0.000	0.000	0.000
659	A	692	ASN	0	-0.027	-0.022	40.348	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	693	GLN	0	0.010	0.018	41.529	0.003	0.003	0.000	0.000	0.000	0.000
661	A	694	GLN	0	-0.019	-0.019	39.638	0.001	0.001	0.000	0.000	0.000	0.000
662	A	695	ASN	0	-0.057	-0.032	38.814	0.010	0.010	0.000	0.000	0.000	0.000
663	A	696	THR	0	-0.012	-0.013	38.317	-0.005	-0.005	0.000	0.000	0.000	0.000
664	A	697	ILE	0	0.007	0.007	33.018	0.004	0.004	0.000	0.000	0.000	0.000
665	A	698	CYS	0	-0.061	-0.016	32.905	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	699	THR	0	0.055	0.029	28.852	0.000	0.000	0.000	0.000	0.000	0.000
667	A	700	ARG	1	0.761	0.869	27.885	0.006	0.006	0.000	0.000	0.000	0.000
668	A	701	SER	0	-0.045	-0.028	23.888	0.003	0.003	0.000	0.000	0.000	0.000
669	A	702	ASP	-1	-0.760	-0.859	21.527	-0.042	-0.042	0.000	0.000	0.000	0.000
670	A	703	TRP	0	-0.021	0.013	15.523	0.018	0.018	0.000	0.000	0.000	0.000
671	A	704	THR	0	0.003	-0.024	21.494	0.015	0.015	0.000	0.000	0.000	0.000
672	A	705	GLY	0	0.028	0.013	24.751	0.011	0.011	0.000	0.000	0.000	0.000
673	A	706	LEU	0	-0.040	-0.020	27.272	0.005	0.005	0.000	0.000	0.000	0.000
674	A	707	THR	0	0.028	0.012	29.148	-0.005	-0.005	0.000	0.000	0.000	0.000
675	A	708	THR	0	-0.011	-0.012	30.598	0.004	0.004	0.000	0.000	0.000	0.000
676	A	710	GLN	0	0.023	0.004	31.998	0.000	0.000	0.000	0.000	0.000	0.000
677	A	711	LYS	1	0.944	0.981	36.448	0.054	0.054	0.000	0.000	0.000	0.000
678	A	712	VAL	0	0.018	0.010	33.100	-0.004	-0.004	0.000	0.000	0.000	0.000
679	A	713	ASP	-1	-0.830	-0.912	36.187	-0.076	-0.076	0.000	0.000	0.000	0.000
680	A	714	LEU	0	-0.040	-0.003	35.550	-0.006	-0.006	0.000	0.000	0.000	0.000
681	A	715	THR	0	0.063	0.012	36.212	0.003	0.003	0.000	0.000	0.000	0.000
682	A	716	ASP	-1	-0.817	-0.896	31.079	-0.130	-0.130	0.000	0.000	0.000	0.000
683	A	717	THR	0	0.052	0.020	34.716	0.006	0.006	0.000	0.000	0.000	0.000
684	A	718	LYS	1	0.882	0.944	27.315	0.146	0.146	0.000	0.000	0.000	0.000
685	A	719	VAL	0	-0.017	-0.012	30.444	0.004	0.004	0.000	0.000	0.000	0.000
686	A	720	ILE	0	-0.005	0.010	32.645	0.008	0.008	0.000	0.000	0.000	0.000
687	A	721	ASN	0	-0.035	-0.025	35.044	0.009	0.009	0.000	0.000	0.000	0.000
688	A	722	SER	0	-0.099	-0.042	31.411	0.003	0.003	0.000	0.000	0.000	0.000
689	A	723	ILE	0	-0.056	-0.025	33.478	0.005	0.005	0.000	0.000	0.000	0.000
690	A	724	PRO	0	-0.013	0.007	35.199	0.002	0.002	0.000	0.000	0.000	0.000
691	A	725	LYS	1	0.962	0.979	38.169	0.040	0.040	0.000	0.000	0.000	0.000
692	A	726	THR	0	-0.010	-0.004	40.440	0.002	0.002	0.000	0.000	0.000	0.000
693	A	727	GLN	0	-0.035	-0.017	42.406	0.002	0.002	0.000	0.000	0.000	0.000
694	A	728	ILE	0	0.032	0.008	44.960	0.002	0.002	0.000	0.000	0.000	0.000
695	A	729	ASN	0	0.018	0.005	46.040	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	730	GLY	0	0.089	0.040	48.938	0.002	0.002	0.000	0.000	0.000	0.000
697	A	731	SER	0	-0.038	-0.006	51.864	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	732	ILE	0	-0.024	-0.020	51.396	0.000	0.000	0.000	0.000	0.000	0.000
699	A	733	ASN	0	-0.018	-0.003	55.115	0.000	0.000	0.000	0.000	0.000	0.000
700	A	734	LEU	0	-0.007	-0.003	54.968	0.000	0.000	0.000	0.000	0.000	0.000
701	A	735	THR	0	0.015	-0.018	58.458	0.000	0.000	0.000	0.000	0.000	0.000
702	A	736	ASP	-1	-0.842	-0.915	60.116	-0.011	-0.011	0.000	0.000	0.000	0.000
703	A	737	ASN	0	0.003	-0.017	60.028	0.000	0.000	0.000	0.000	0.000	0.000
704	A	738	ALA	0	-0.043	0.015	56.208	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	739	THR	0	-0.002	-0.006	53.620	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	740	ALA	0	-0.009	-0.011	52.160	0.000	0.000	0.000	0.000	0.000	0.000
707	A	741	ASN	0	-0.019	-0.014	49.590	-0.002	-0.002	0.000	0.000	0.000	0.000
708	A	742	VAL	0	0.016	0.022	48.347	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	743	LYS	1	0.951	0.977	43.957	0.044	0.044	0.000	0.000	0.000	0.000
710	A	744	GLY	0	0.029	0.016	44.671	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	745	LEU	0	-0.050	-0.023	39.299	0.003	0.003	0.000	0.000	0.000	0.000
712	A	746	ALA	0	-0.014	-0.020	42.539	0.001	0.001	0.000	0.000	0.000	0.000
713	A	747	LYS	1	0.811	0.889	45.197	0.022	0.022	0.000	0.000	0.000	0.000
714	A	748	LEU	0	0.002	0.017	47.943	0.001	0.001	0.000	0.000	0.000	0.000
715	A	749	ASN	0	-0.042	-0.009	47.909	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	750	GLY	0	0.090	0.038	51.708	0.002	0.002	0.000	0.000	0.000	0.000
717	A	751	ASN	0	-0.009	0.002	54.642	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	752	VAL	0	0.016	0.011	55.448	0.000	0.000	0.000	0.000	0.000	0.000
719	A	753	THR	0	-0.035	-0.016	58.077	0.000	0.000	0.000	0.000	0.000	0.000
720	A	754	LEU	0	-0.009	0.000	59.476	0.000	0.000	0.000	0.000	0.000	0.000
721	A	755	THR	0	0.016	0.017	62.100	0.001	0.001	0.000	0.000	0.000	0.000
722	A	756	ASN	0	-0.027	-0.009	63.701	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	757	HIS	0	0.045	0.023	63.974	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	758	SER	0	-0.040	-0.016	59.505	-0.001	-0.001	0.000	0.000	0.000	0.000
725	A	759	GLN	0	0.008	-0.007	58.134	-0.001	-0.001	0.000	0.000	0.000	0.000
726	A	760	PHE	0	0.014	0.001	53.083	0.000	0.000	0.000	0.000	0.000	0.000
727	A	761	THR	0	-0.022	-0.014	53.373	-0.001	-0.001	0.000	0.000	0.000	0.000
728	A	762	LEU	0	-0.027	0.000	51.705	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	763	SER	0	0.060	0.013	51.018	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	764	ASN	0	-0.015	-0.022	47.520	-0.003	-0.003	0.000	0.000	0.000	0.000
731	A	765	ASN	0	-0.023	-0.023	47.850	-0.003	-0.003	0.000	0.000	0.000	0.000
732	A	766	ALA	0	-0.021	0.030	48.305	0.000	0.000	0.000	0.000	0.000	0.000
733	A	767	THR	0	-0.044	-0.035	49.246	0.000	0.000	0.000	0.000	0.000	0.000
734	A	768	GLN	0	-0.008	-0.013	50.820	-0.001	-0.001	0.000	0.000	0.000	0.000
735	A	769	ILE	0	-0.049	-0.024	52.315	0.000	0.000	0.000	0.000	0.000	0.000
736	A	770	GLY	0	0.011	0.005	54.939	0.001	0.001	0.000	0.000	0.000	0.000
737	A	771	ASN	0	-0.014	-0.012	57.656	-0.001	-0.001	0.000	0.000	0.000	0.000
738	A	772	ILE	0	0.002	-0.001	58.243	0.000	0.000	0.000	0.000	0.000	0.000
739	A	773	ARG	1	0.852	0.925	61.359	0.011	0.011	0.000	0.000	0.000	0.000
740	A	774	LEU	0	0.004	-0.004	62.525	0.000	0.000	0.000	0.000	0.000	0.000
741	A	775	SER	0	0.020	0.011	65.417	0.001	0.001	0.000	0.000	0.000	0.000
742	A	776	ASP	-1	-0.864	-0.926	67.220	-0.011	-0.011	0.000	0.000	0.000	0.000
743	A	777	ASN	0	-0.006	-0.018	67.824	0.000	0.000	0.000	0.000	0.000	0.000
744	A	778	SER	0	-0.042	-0.006	63.096	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	779	THR	0	0.009	-0.012	61.689	0.000	0.000	0.000	0.000	0.000	0.000
746	A	780	ALA	0	0.001	0.003	59.942	0.000	0.000	0.000	0.000	0.000	0.000
747	A	781	THR	0	-0.022	-0.011	57.871	0.000	0.000	0.000	0.000	0.000	0.000
748	A	782	VAL	0	-0.036	-0.012	56.373	0.000	0.000	0.000	0.000	0.000	0.000
749	A	783	ASP	-1	-0.857	-0.928	54.935	-0.034	-0.034	0.000	0.000	0.000	0.000
750	A	784	ASN	0	0.013	0.004	52.137	-0.001	-0.001	0.000	0.000	0.000	0.000
751	A	785	ALA	0	-0.048	-0.010	52.702	-0.002	-0.002	0.000	0.000	0.000	0.000
752	A	786	ASN	0	0.013	0.001	51.912	0.001	0.001	0.000	0.000	0.000	0.000
753	A	787	LEU	0	0.015	0.019	54.645	0.000	0.000	0.000	0.000	0.000	0.000
754	A	788	ASN	0	-0.013	-0.009	55.699	0.001	0.001	0.000	0.000	0.000	0.000
755	A	789	GLY	0	0.038	0.012	57.983	0.001	0.001	0.000	0.000	0.000	0.000
756	A	790	ASN	0	0.012	-0.003	60.724	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	791	VAL	0	0.019	0.010	62.546	0.000	0.000	0.000	0.000	0.000	0.000
758	A	792	HIS	0	0.006	0.009	64.977	0.000	0.000	0.000	0.000	0.000	0.000
759	A	793	LEU	0	-0.008	-0.003	67.093	0.000	0.000	0.000	0.000	0.000	0.000
760	A	794	THR	0	0.023	-0.015	69.098	0.000	0.000	0.000	0.000	0.000	0.000
761	A	795	ASP	-1	-0.811	-0.897	71.010	-0.011	-0.011	0.000	0.000	0.000	0.000
762	A	796	SER	0	-0.041	-0.019	71.535	0.000	0.000	0.000	0.000	0.000	0.000
763	A	797	ALA	0	-0.036	0.018	67.163	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	798	GLN	0	0.010	-0.010	66.294	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	799	PHE	0	0.008	0.004	60.939	0.000	0.000	0.000	0.000	0.000	0.000
766	A	800	SER	0	-0.003	-0.006	61.999	0.000	0.000	0.000	0.000	0.000	0.000
767	A	801	LEU	0	0.000	0.003	60.276	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	802	LYS	1	0.913	0.948	58.964	0.029	0.029	0.000	0.000	0.000	0.000
769	A	803	ASN	0	-0.006	-0.019	57.198	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	804	SER	0	0.011	-0.001	57.301	-0.002	-0.002	0.000	0.000	0.000	0.000
771	A	805	HIS	0	-0.040	-0.020	58.612	0.001	0.001	0.000	0.000	0.000	0.000
772	A	806	PHE	0	-0.025	-0.014	59.502	0.000	0.000	0.000	0.000	0.000	0.000
773	A	807	SER	0	0.028	0.013	61.954	0.000	0.000	0.000	0.000	0.000	0.000
774	A	808	HIS	0	-0.014	0.003	60.229	0.001	0.001	0.000	0.000	0.000	0.000
775	A	809	GLN	0	0.000	-0.009	64.830	0.000	0.000	0.000	0.000	0.000	0.000
776	A	810	ILE	0	-0.022	-0.010	65.944	0.000	0.000	0.000	0.000	0.000	0.000
777	A	811	GLN	0	-0.018	0.001	68.430	0.000	0.000	0.000	0.000	0.000	0.000
778	A	812	GLY	0	0.022	0.014	70.341	0.000	0.000	0.000	0.000	0.000	0.000
779	A	813	ASP	-1	-0.891	-0.947	72.394	-0.010	-0.010	0.000	0.000	0.000	0.000
780	A	814	LYS	1	0.973	0.970	74.994	0.009	0.009	0.000	0.000	0.000	0.000
781	A	815	GLY	0	0.029	0.025	75.662	0.000	0.000	0.000	0.000	0.000	0.000
782	A	816	THR	0	-0.055	-0.011	71.039	-0.001	-0.001	0.000	0.000	0.000	0.000
783	A	817	THR	0	0.002	-0.009	70.491	0.000	0.000	0.000	0.000	0.000	0.000
784	A	818	VAL	0	0.008	0.018	67.452	0.000	0.000	0.000	0.000	0.000	0.000
785	A	819	THR	0	-0.008	-0.017	66.274	0.000	0.000	0.000	0.000	0.000	0.000
786	A	820	LEU	0	-0.018	-0.004	65.276	0.000	0.000	0.000	0.000	0.000	0.000
787	A	821	GLU	-1	-0.872	-0.930	62.568	-0.028	-0.028	0.000	0.000	0.000	0.000
788	A	822	ASN	0	-0.003	0.014	60.977	0.000	0.000	0.000	0.000	0.000	0.000
789	A	823	ALA	0	-0.012	0.004	61.809	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	824	THR	0	0.008	0.005	62.758	0.001	0.001	0.000	0.000	0.000	0.000
791	A	825	TRP	0	-0.003	-0.020	63.846	0.000	0.000	0.000	0.000	0.000	0.000
792	A	826	THR	0	-0.019	-0.013	65.701	0.000	0.000	0.000	0.000	0.000	0.000
793	A	827	MET	0	-0.015	0.007	67.247	0.000	0.000	0.000	0.000	0.000	0.000
794	A	828	PRO	0	-0.027	-0.006	67.075	0.000	0.000	0.000	0.000	0.000	0.000
795	A	829	SER	0	-0.018	-0.011	69.712	0.001	0.001	0.000	0.000	0.000	0.000
796	A	830	ASP	-1	-0.827	-0.901	73.132	-0.012	-0.012	0.000	0.000	0.000	0.000
797	A	831	THR	0	-0.063	-0.031	71.768	0.000	0.000	0.000	0.000	0.000	0.000
798	A	832	THR	0	-0.026	-0.011	74.486	0.000	0.000	0.000	0.000	0.000	0.000
799	A	833	LEU	0	0.010	0.010	70.847	0.000	0.000	0.000	0.000	0.000	0.000
800	A	834	GLN	0	0.007	0.004	74.459	0.001	0.001	0.000	0.000	0.000	0.000
801	A	835	ASN	0	0.003	0.039	74.126	0.000	0.000	0.000	0.000	0.000	0.000
802	A	836	LEU	0	-0.022	-0.006	70.821	0.000	0.000	0.000	0.000	0.000	0.000
803	A	837	THR	0	0.017	0.007	70.377	0.000	0.000	0.000	0.000	0.000	0.000
804	A	838	LEU	0	-0.038	-0.014	69.981	-0.001	-0.001	0.000	0.000	0.000	0.000
805	A	839	ASN	0	0.057	0.013	66.476	0.000	0.000	0.000	0.000	0.000	0.000
806	A	840	ASN	0	0.010	0.010	64.971	0.000	0.000	0.000	0.000	0.000	0.000
807	A	841	SER	0	-0.041	-0.014	66.494	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	842	THR	0	-0.033	-0.017	67.346	0.001	0.001	0.000	0.000	0.000	0.000
809	A	843	ILE	0	-0.001	0.005	68.147	0.000	0.000	0.000	0.000	0.000	0.000
810	A	844	THR	0	-0.038	-0.022	69.206	0.000	0.000	0.000	0.000	0.000	0.000
811	A	845	LEU	0	-0.001	0.002	70.978	0.000	0.000	0.000	0.000	0.000	0.000
812	A	846	ASN	0	-0.010	-0.028	72.971	0.000	0.000	0.000	0.000	0.000	0.000
813	A	847	SER	0	0.053	0.020	68.692	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	848	ALA	0	-0.041	-0.015	69.707	-0.001	-0.001	0.000	0.000	0.000	0.000
815	A	849	TYR	0	-0.036	-0.021	70.497	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	850	SER	0	-0.006	0.003	67.156	0.000	0.000	0.000	0.000	0.000	0.000
817	A	874	ARG	1	0.916	0.942	77.064	0.015	0.015	0.000	0.000	0.000	0.000
818	A	875	PHE	0	-0.081	-0.031	77.528	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	876	ASN	0	0.015	0.012	73.370	0.001	0.001	0.000	0.000	0.000	0.000
820	A	877	THR	0	-0.002	0.002	77.613	0.000	0.000	0.000	0.000	0.000	0.000
821	A	878	LEU	0	0.003	0.011	73.827	0.000	0.000	0.000	0.000	0.000	0.000
822	A	879	THR	0	-0.009	-0.008	77.040	0.000	0.000	0.000	0.000	0.000	0.000
823	A	880	VAL	0	-0.005	-0.014	76.172	0.000	0.000	0.000	0.000	0.000	0.000
824	A	881	ASN	0	-0.016	-0.014	78.487	0.000	0.000	0.000	0.000	0.000	0.000
825	A	882	GLY	0	0.021	-0.016	78.829	0.000	0.000	0.000	0.000	0.000	0.000
826	A	883	LYS	1	0.808	0.912	77.679	0.015	0.015	0.000	0.000	0.000	0.000
827	A	884	LEU	0	-0.001	0.007	75.305	0.000	0.000	0.000	0.000	0.000	0.000
828	A	885	SER	0	-0.020	-0.019	75.232	0.000	0.000	0.000	0.000	0.000	0.000
829	A	886	GLY	0	0.059	0.034	73.593	0.000	0.000	0.000	0.000	0.000	0.000
830	A	887	GLN	0	0.023	-0.010	71.228	0.000	0.000	0.000	0.000	0.000	0.000
831	A	888	GLY	0	0.015	0.009	71.820	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	889	THR	0	-0.016	-0.007	71.624	0.001	0.001	0.000	0.000	0.000	0.000
833	A	890	PHE	0	0.041	0.024	72.525	0.000	0.000	0.000	0.000	0.000	0.000
834	A	891	GLN	0	-0.003	-0.005	69.758	0.000	0.000	0.000	0.000	0.000	0.000
835	A	892	PHE	0	0.018	-0.005	74.395	0.000	0.000	0.000	0.000	0.000	0.000
836	A	893	THR	0	-0.077	-0.053	75.203	0.000	0.000	0.000	0.000	0.000	0.000
837	A	894	SER	0	0.001	-0.031	78.037	0.000	0.000	0.000	0.000	0.000	0.000
838	A	895	SER	0	-0.079	-0.050	81.680	0.000	0.000	0.000	0.000	0.000	0.000
839	A	896	LEU	0	0.039	0.002	84.327	0.000	0.000	0.000	0.000	0.000	0.000
840	A	897	PHE	0	-0.051	-0.005	87.215	0.000	0.000	0.000	0.000	0.000	0.000
841	A	898	GLY	0	0.003	0.000	87.770	0.000	0.000	0.000	0.000	0.000	0.000
842	A	899	TYR	0	-0.002	-0.013	88.582	0.000	0.000	0.000	0.000	0.000	0.000
843	A	900	LYS	1	0.906	0.965	84.612	0.011	0.011	0.000	0.000	0.000	0.000
844	A	901	SER	0	0.026	-0.019	82.029	0.000	0.000	0.000	0.000	0.000	0.000
845	A	902	ASP	-1	-0.742	-0.814	77.258	-0.015	-0.015	0.000	0.000	0.000	0.000
846	A	903	LYS	1	0.854	0.923	79.815	0.012	0.012	0.000	0.000	0.000	0.000
847	A	904	LEU	0	0.007	0.015	77.328	0.000	0.000	0.000	0.000	0.000	0.000
848	A	905	LYS	1	0.859	0.943	80.411	0.011	0.011	0.000	0.000	0.000	0.000
849	A	906	LEU	0	0.016	-0.002	79.189	0.000	0.000	0.000	0.000	0.000	0.000
850	A	907	SER	0	0.031	-0.001	82.175	0.001	0.001	0.000	0.000	0.000	0.000
851	A	908	ASN	0	0.006	-0.019	84.565	0.000	0.000	0.000	0.000	0.000	0.000
852	A	909	ASP	-1	-0.852	-0.953	81.955	-0.014	-0.014	0.000	0.000	0.000	0.000
853	A	910	ALA	0	-0.053	0.007	80.912	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	911	GLU	-1	-0.760	-0.858	79.785	-0.016	-0.016	0.000	0.000	0.000	0.000
855	A	912	GLY	0	0.023	0.030	78.388	0.000	0.000	0.000	0.000	0.000	0.000
856	A	913	ASP	-1	-0.835	-0.899	77.762	-0.019	-0.019	0.000	0.000	0.000	0.000
857	A	914	TYR	0	-0.027	-0.039	74.955	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	915	ILE	0	0.004	0.006	74.370	0.000	0.000	0.000	0.000	0.000	0.000
859	A	916	LEU	0	-0.001	-0.009	76.594	0.000	0.000	0.000	0.000	0.000	0.000
860	A	917	SER	0	-0.016	-0.016	75.194	0.000	0.000	0.000	0.000	0.000	0.000
861	A	918	VAL	0	0.019	0.005	77.235	0.000	0.000	0.000	0.000	0.000	0.000
862	A	919	ARG	1	0.902	0.969	72.751	0.021	0.021	0.000	0.000	0.000	0.000
863	A	920	ASN	0	0.064	0.038	78.140	0.001	0.001	0.000	0.000	0.000	0.000
864	A	921	THR	0	-0.008	-0.001	78.594	0.000	0.000	0.000	0.000	0.000	0.000
865	A	922	GLY	0	0.011	0.012	81.802	0.000	0.000	0.000	0.000	0.000	0.000
866	A	923	DLY	1	0.799	0.881	83.930	0.011	0.011	0.000	0.000	0.000	0.000
867	A	924	GLU	-1	-0.777	-0.872	87.795	-0.013	-0.013	0.000	0.000	0.000	0.000
868	A	925	PRO	0	-0.055	-0.026	89.897	0.000	0.000	0.000	0.000	0.000	0.000
869	A	926	GLU	-1	-0.838	-0.910	92.221	-0.010	-0.010	0.000	0.000	0.000	0.000
870	A	927	THR	0	-0.006	-0.021	95.181	0.000	0.000	0.000	0.000	0.000	0.000
871	A	928	LEU	0	-0.022	0.007	95.144	0.000	0.000	0.000	0.000	0.000	0.000
872	A	929	GLU	-1	-0.850	-0.903	93.548	-0.010	-0.010	0.000	0.000	0.000	0.000
873	A	930	GLN	0	-0.051	-0.038	92.240	0.000	0.000	0.000	0.000	0.000	0.000
874	A	931	LEU	0	-0.021	-0.007	85.302	0.000	0.000	0.000	0.000	0.000	0.000
875	A	932	THR	0	-0.024	-0.002	86.857	0.000	0.000	0.000	0.000	0.000	0.000
876	A	933	LEU	0	-0.018	-0.001	82.276	0.000	0.000	0.000	0.000	0.000	0.000
877	A	934	VAL	0	-0.016	-0.020	81.749	0.000	0.000	0.000	0.000	0.000	0.000
878	A	935	GLU	-1	-0.783	-0.879	84.140	-0.011	-0.011	0.000	0.000	0.000	0.000
879	A	936	SER	0	0.025	0.007	85.195	0.000	0.000	0.000	0.000	0.000	0.000
880	A	937	LYS	1	0.792	0.894	83.517	0.011	0.011	0.000	0.000	0.000	0.000
881	A	938	ASP	-1	-0.922	-0.972	86.451	-0.010	-0.010	0.000	0.000	0.000	0.000
882	A	939	ASN	0	0.030	0.008	90.173	0.000	0.000	0.000	0.000	0.000	0.000
883	A	940	GLN	0	-0.052	0.007	90.896	0.000	0.000	0.000	0.000	0.000	0.000
884	A	941	PRO	0	0.052	0.027	90.917	0.000	0.000	0.000	0.000	0.000	0.000
885	A	942	LEU	0	-0.017	-0.003	85.252	0.000	0.000	0.000	0.000	0.000	0.000
886	A	943	SER	0	-0.021	-0.020	84.941	0.000	0.000	0.000	0.000	0.000	0.000
887	A	944	ASP	-1	-0.830	-0.929	87.424	-0.014	-0.014	0.000	0.000	0.000	0.000
888	A	945	LYS	1	0.802	0.905	83.723	0.014	0.014	0.000	0.000	0.000	0.000
889	A	946	LEU	0	-0.057	-0.006	81.190	-0.001	-0.001	0.000	0.000	0.000	0.000
890	A	947	LYS	1	0.839	0.908	81.624	0.019	0.019	0.000	0.000	0.000	0.000
891	A	948	PHE	0	0.021	0.004	79.350	0.000	0.000	0.000	0.000	0.000	0.000
892	A	949	THR	0	0.000	0.003	80.179	0.000	0.000	0.000	0.000	0.000	0.000
893	A	950	LEU	0	-0.029	0.011	80.257	0.000	0.000	0.000	0.000	0.000	0.000
894	A	951	GLU	-1	-0.814	-0.890	75.094	-0.022	-0.022	0.000	0.000	0.000	0.000
895	A	952	ASN	0	-0.076	-0.053	77.093	0.000	0.000	0.000	0.000	0.000	0.000
896	A	953	ASP	-1	-0.823	-0.902	80.707	-0.017	-0.017	0.000	0.000	0.000	0.000
897	A	954	HIS	0	-0.094	-0.062	83.451	0.000	0.000	0.000	0.000	0.000	0.000
898	A	955	VAL	0	0.005	0.008	82.431	0.000	0.000	0.000	0.000	0.000	0.000
899	A	956	ASP	-1	-0.761	-0.845	84.442	-0.016	-0.016	0.000	0.000	0.000	0.000
900	A	957	ALA	0	-0.048	-0.030	85.154	0.000	0.000	0.000	0.000	0.000	0.000
901	A	958	GLY	0	0.004	0.004	87.205	0.000	0.000	0.000	0.000	0.000	0.000
902	A	959	ALA	0	-0.037	-0.029	89.124	0.000	0.000	0.000	0.000	0.000	0.000
903	A	960	LEU	0	-0.033	0.000	91.304	0.000	0.000	0.000	0.000	0.000	0.000
904	A	961	ARG	1	0.839	0.906	87.715	0.016	0.016	0.000	0.000	0.000	0.000
905	A	962	TYR	0	0.001	-0.031	87.879	0.000	0.000	0.000	0.000	0.000	0.000
906	A	963	LYS	1	0.800	0.876	87.638	0.016	0.016	0.000	0.000	0.000	0.000
907	A	964	LEU	0	-0.010	0.000	83.593	0.000	0.000	0.000	0.000	0.000	0.000
908	A	965	VAL	0	-0.012	-0.002	87.558	0.000	0.000	0.000	0.000	0.000	0.000
909	A	966	LYS	1	0.829	0.913	88.785	0.014	0.014	0.000	0.000	0.000	0.000
910	A	967	ASN	0	-0.016	-0.012	90.823	0.000	0.000	0.000	0.000	0.000	0.000
911	A	968	ASP	-1	-0.837	-0.919	93.301	-0.011	-0.011	0.000	0.000	0.000	0.000
912	A	969	GLY	0	0.012	0.013	92.201	0.000	0.000	0.000	0.000	0.000	0.000
913	A	970	GLU	-1	-0.787	-0.887	88.882	-0.012	-0.012	0.000	0.000	0.000	0.000
914	A	971	PHE	0	-0.019	-0.023	85.587	0.000	0.000	0.000	0.000	0.000	0.000
915	A	972	ARG	1	0.791	0.880	86.890	0.011	0.011	0.000	0.000	0.000	0.000
916	A	973	LEU	0	0.003	-0.003	84.365	0.000	0.000	0.000	0.000	0.000	0.000
917	A	974	HIS	0	0.056	0.012	88.574	0.001	0.001	0.000	0.000	0.000	0.000
918	A	975	ASN	0	0.085	0.049	91.657	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	976	PRO	0	-0.063	-0.015	93.069	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:26:GLY)