FMO DATABASE

FMODB ID: LZQV9

Calculation Name: 5MZ4-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5MZ4

Chain ID: A

ChEMBL ID:

UniProt ID: P19712

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	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	709
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15143966.673321
FMO2-HF: Nuclear repulsion	14864193.589256
FMO2-HF: Total energy	-279773.084065
FMO2-MP2: Total energy	-280577.00444

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

Summations of interaction energy for fragment #1(A:1: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.
-15.441	-9.872	2.868	-4.053	-4.382	-0.016

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.066 / q_NPA : 0.031

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	ARG	1	0.918	0.942	3.248	-8.792	-5.829	0.029	-1.481	-1.511	0.007
4	A	4	HIS	0	-0.098	-0.031	2.566	-6.664	-4.260	2.841	-2.499	-2.745	-0.023
5	A	5	ILE	0	0.011	0.009	5.373	0.148	0.136	-0.001	-0.001	0.015	0.000
6	A	6	PRO	0	-0.038	-0.007	9.155	-0.281	-0.281	0.000	0.000	0.000	0.000
7	A	7	VAL	0	0.009	-0.003	10.941	0.132	0.132	0.000	0.000	0.000	0.000
8	A	8	VAL	0	0.029	0.016	13.563	-0.087	-0.087	0.000	0.000	0.000	0.000
9	A	9	THR	0	-0.094	-0.060	15.358	0.001	0.001	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.770	-0.861	18.088	-0.294	-0.294	0.000	0.000	0.000	0.000
11	A	11	ILE	0	0.005	0.000	21.026	-0.003	-0.003	0.000	0.000	0.000	0.000
12	A	12	TYR	0	-0.018	-0.051	22.149	0.014	0.014	0.000	0.000	0.000	0.000
13	A	13	SER	0	0.017	0.010	26.112	0.005	0.005	0.000	0.000	0.000	0.000
14	A	14	VAL	0	-0.049	-0.033	28.315	-0.011	-0.011	0.000	0.000	0.000	0.000
15	A	15	GLU	-1	-0.899	-0.942	30.941	-0.057	-0.057	0.000	0.000	0.000	0.000
16	A	16	ASP	-1	-0.814	-0.905	34.254	-0.076	-0.076	0.000	0.000	0.000	0.000
17	A	17	HIS	0	0.047	0.023	35.894	0.002	0.002	0.000	0.000	0.000	0.000
18	A	18	ARG	1	0.800	0.880	37.513	0.058	0.058	0.000	0.000	0.000	0.000
19	A	19	LEU	0	-0.034	-0.015	36.979	0.000	0.000	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.754	-0.864	40.117	-0.066	-0.066	0.000	0.000	0.000	0.000
21	A	21	ASP	-1	-0.792	-0.865	40.417	-0.103	-0.103	0.000	0.000	0.000	0.000
22	A	22	THR	0	0.020	-0.013	35.124	-0.005	-0.005	0.000	0.000	0.000	0.000
23	A	23	THR	0	0.004	-0.006	35.466	-0.012	-0.012	0.000	0.000	0.000	0.000
24	A	24	HIS	0	-0.015	0.002	35.530	-0.012	-0.012	0.000	0.000	0.000	0.000
25	A	25	LEU	0	0.014	0.001	32.616	-0.009	-0.009	0.000	0.000	0.000	0.000
26	A	26	GLN	0	0.001	0.004	31.182	-0.012	-0.012	0.000	0.000	0.000	0.000
27	A	27	TYR	0	-0.043	-0.047	22.205	-0.004	-0.004	0.000	0.000	0.000	0.000
28	A	28	ALA	0	0.028	0.011	28.482	0.010	0.010	0.000	0.000	0.000	0.000
29	A	29	PRO	0	-0.031	0.000	27.740	-0.018	-0.018	0.000	0.000	0.000	0.000
30	A	38	GLY	0	0.032	0.005	40.837	0.002	0.002	0.000	0.000	0.000	0.000
31	A	39	SER	0	-0.049	-0.022	42.098	-0.003	-0.003	0.000	0.000	0.000	0.000
32	A	40	GLY	0	0.035	0.013	41.734	0.001	0.001	0.000	0.000	0.000	0.000
33	A	41	SER	0	0.016	-0.016	41.516	-0.002	-0.002	0.000	0.000	0.000	0.000
34	A	42	GLY	0	-0.009	0.008	37.784	-0.006	-0.006	0.000	0.000	0.000	0.000
35	A	43	PRO	0	-0.035	0.003	38.035	-0.004	-0.004	0.000	0.000	0.000	0.000
36	A	44	ALA	0	-0.027	-0.022	35.279	0.001	0.001	0.000	0.000	0.000	0.000
37	A	45	VAL	0	0.010	0.012	36.304	0.000	0.000	0.000	0.000	0.000	0.000
38	A	46	CYS	0	-0.046	0.010	33.730	-0.006	-0.006	0.000	0.000	0.000	0.000
39	A	47	LYS	1	0.819	0.898	29.695	0.086	0.086	0.000	0.000	0.000	0.000
40	A	48	LYS	1	0.881	0.941	31.915	0.089	0.089	0.000	0.000	0.000	0.000
41	A	49	VAL	0	-0.011	-0.018	28.329	0.003	0.003	0.000	0.000	0.000	0.000
42	A	50	THR	0	-0.017	0.000	31.159	-0.002	-0.002	0.000	0.000	0.000	0.000
43	A	51	GLU	-1	-0.897	-0.950	30.187	-0.086	-0.086	0.000	0.000	0.000	0.000
44	A	52	HIS	0	-0.089	-0.066	23.601	0.005	0.005	0.000	0.000	0.000	0.000
45	A	53	GLH	0	-0.010	-0.023	25.840	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	54	ARG	1	0.921	0.964	23.167	0.200	0.200	0.000	0.000	0.000	0.000
47	A	55	CYS	0	-0.043	-0.021	19.728	0.027	0.027	0.000	0.000	0.000	0.000
48	A	56	THR	0	0.028	0.013	21.571	-0.022	-0.022	0.000	0.000	0.000	0.000
49	A	57	THR	0	-0.083	-0.043	16.755	0.004	0.004	0.000	0.000	0.000	0.000
50	A	58	SER	0	0.046	-0.008	18.993	-0.037	-0.037	0.000	0.000	0.000	0.000
51	A	59	ILE	0	0.061	0.017	17.174	-0.015	-0.015	0.000	0.000	0.000	0.000
52	A	60	MET	0	0.078	0.032	15.700	-0.038	-0.038	0.000	0.000	0.000	0.000
53	A	61	ASP	-1	-0.803	-0.850	15.140	0.052	0.052	0.000	0.000	0.000	0.000
54	A	62	LYS	1	0.939	0.973	13.249	0.388	0.388	0.000	0.000	0.000	0.000
55	A	63	LEU	0	0.018	0.010	11.175	-0.061	-0.061	0.000	0.000	0.000	0.000
56	A	64	THR	0	-0.033	-0.039	10.298	0.071	0.071	0.000	0.000	0.000	0.000
57	A	65	ALA	0	0.048	0.022	10.383	0.176	0.176	0.000	0.000	0.000	0.000
58	A	66	PHE	0	0.022	0.026	5.997	-0.057	-0.057	0.000	0.000	0.000	0.000
59	A	67	PHE	0	-0.003	-0.003	5.720	0.058	0.058	0.000	0.000	0.000	0.000
60	A	68	GLY	0	-0.003	-0.010	7.625	0.543	0.543	0.000	0.000	0.000	0.000
61	A	69	VAL	0	-0.059	-0.012	8.182	0.012	0.012	0.000	0.000	0.000	0.000
62	A	70	MET	0	0.026	0.021	11.940	-0.149	-0.149	0.000	0.000	0.000	0.000
63	A	71	PRO	0	0.002	0.000	14.224	0.012	0.012	0.000	0.000	0.000	0.000
64	A	72	ARG	1	0.988	0.986	16.823	-0.246	-0.246	0.000	0.000	0.000	0.000
65	A	73	GLY	0	0.002	-0.004	20.014	-0.032	-0.032	0.000	0.000	0.000	0.000
66	A	74	THR	0	-0.057	-0.011	18.191	-0.015	-0.015	0.000	0.000	0.000	0.000
67	A	75	THR	0	0.048	0.021	21.584	0.029	0.029	0.000	0.000	0.000	0.000
68	A	76	PRO	0	-0.009	-0.007	22.595	-0.008	-0.008	0.000	0.000	0.000	0.000
69	A	77	ARG	1	0.816	0.880	23.262	-0.012	-0.012	0.000	0.000	0.000	0.000
70	A	78	ALA	0	-0.014	-0.001	24.252	0.009	0.009	0.000	0.000	0.000	0.000
71	A	79	PRO	0	0.042	0.010	23.708	-0.015	-0.015	0.000	0.000	0.000	0.000
72	A	80	VAL	0	0.075	0.038	25.501	-0.012	-0.012	0.000	0.000	0.000	0.000
73	A	81	ARG	1	0.895	0.976	27.962	-0.049	-0.049	0.000	0.000	0.000	0.000
74	A	82	PHE	0	0.015	-0.018	22.364	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	83	PRO	0	0.082	0.061	27.366	0.008	0.008	0.000	0.000	0.000	0.000
76	A	84	THR	0	0.066	0.035	28.217	-0.003	-0.003	0.000	0.000	0.000	0.000
77	A	85	SER	0	-0.039	-0.029	25.981	-0.012	-0.012	0.000	0.000	0.000	0.000
78	A	86	LEU	0	-0.025	-0.010	22.804	0.006	0.006	0.000	0.000	0.000	0.000
79	A	87	LEU	0	-0.005	-0.006	19.694	-0.010	-0.010	0.000	0.000	0.000	0.000
80	A	88	LYS	1	0.864	0.929	16.515	0.474	0.474	0.000	0.000	0.000	0.000
81	A	89	ILE	0	-0.003	-0.013	12.069	0.025	0.025	0.000	0.000	0.000	0.000
82	A	90	ARG	1	0.936	0.972	10.768	0.936	0.936	0.000	0.000	0.000	0.000
83	A	91	ARG	1	0.905	0.958	4.202	1.212	1.426	-0.001	-0.072	-0.141	0.000
84	A	92	GLY	0	-0.007	-0.008	5.373	-0.588	-0.588	0.000	0.000	0.000	0.000
85	A	93	LEU	0	0.005	-0.006	5.749	0.445	0.445	0.000	0.000	0.000	0.000
86	A	94	GLU	-1	-0.965	-0.971	5.767	-1.983	-1.983	0.000	0.000	0.000	0.000
87	A	95	THR	0	-0.057	-0.047	8.348	0.267	0.267	0.000	0.000	0.000	0.000
88	A	96	GLY	0	0.007	-0.004	11.930	-0.023	-0.023	0.000	0.000	0.000	0.000
89	A	97	TRP	0	-0.012	0.008	13.916	0.034	0.034	0.000	0.000	0.000	0.000
90	A	98	ALA	0	0.007	0.016	16.869	0.023	0.023	0.000	0.000	0.000	0.000
91	A	99	TYR	0	-0.018	-0.021	19.142	-0.020	-0.020	0.000	0.000	0.000	0.000
92	A	100	THR	0	0.008	0.011	22.914	0.024	0.024	0.000	0.000	0.000	0.000
93	A	101	HIS	0	0.014	0.005	24.361	-0.009	-0.009	0.000	0.000	0.000	0.000
94	A	102	GLN	0	0.029	0.020	28.597	0.005	0.005	0.000	0.000	0.000	0.000
95	A	103	GLY	0	0.003	0.005	29.149	0.007	0.007	0.000	0.000	0.000	0.000
96	A	104	GLY	0	-0.042	-0.022	26.208	0.020	0.020	0.000	0.000	0.000	0.000
97	A	105	ILE	0	0.013	0.008	20.550	-0.018	-0.018	0.000	0.000	0.000	0.000
98	A	106	SER	0	-0.046	-0.005	21.123	0.022	0.022	0.000	0.000	0.000	0.000
99	A	107	SER	0	0.018	-0.014	16.186	-0.045	-0.045	0.000	0.000	0.000	0.000
100	A	108	VAL	0	0.014	0.032	14.002	0.031	0.031	0.000	0.000	0.000	0.000
101	A	109	ASP	-1	-0.809	-0.881	13.316	0.408	0.408	0.000	0.000	0.000	0.000
102	A	110	HIS	1	0.779	0.861	10.257	0.378	0.378	0.000	0.000	0.000	0.000
103	A	111	VAL	0	-0.044	-0.015	9.322	-0.243	-0.243	0.000	0.000	0.000	0.000
104	A	112	THR	0	0.010	0.004	10.084	-0.074	-0.074	0.000	0.000	0.000	0.000
105	A	113	CYS	0	-0.113	-0.062	8.162	0.144	0.144	0.000	0.000	0.000	0.000
106	A	114	GLY	0	0.062	0.028	10.675	0.209	0.209	0.000	0.000	0.000	0.000
107	A	115	LYS	1	0.836	0.941	7.548	-1.654	-1.654	0.000	0.000	0.000	0.000
108	A	116	ASP	-1	-0.762	-0.868	13.018	0.245	0.245	0.000	0.000	0.000	0.000
109	A	117	LEU	0	-0.013	0.001	14.017	-0.010	-0.010	0.000	0.000	0.000	0.000
110	A	118	LEU	0	-0.003	-0.001	14.164	0.031	0.031	0.000	0.000	0.000	0.000
111	A	119	VAL	0	0.007	-0.006	16.070	-0.065	-0.065	0.000	0.000	0.000	0.000
112	A	120	CYS	0	-0.051	-0.009	19.176	0.037	0.037	0.000	0.000	0.000	0.000
113	A	121	ASP	-1	-0.706	-0.788	21.029	-0.084	-0.084	0.000	0.000	0.000	0.000
114	A	122	THR	0	0.036	0.005	24.263	0.011	0.011	0.000	0.000	0.000	0.000
115	A	123	MET	0	-0.062	-0.028	26.561	0.011	0.011	0.000	0.000	0.000	0.000
116	A	124	GLY	0	0.032	0.026	25.675	0.016	0.016	0.000	0.000	0.000	0.000
117	A	125	ARG	1	0.860	0.911	20.567	-0.057	-0.057	0.000	0.000	0.000	0.000
118	A	126	THR	0	-0.027	-0.026	21.332	0.021	0.021	0.000	0.000	0.000	0.000
119	A	127	ARG	1	0.912	0.933	17.880	-0.296	-0.296	0.000	0.000	0.000	0.000
120	A	128	VAL	0	-0.018	-0.001	18.767	0.005	0.005	0.000	0.000	0.000	0.000
121	A	129	VAL	0	0.000	-0.006	18.377	0.019	0.019	0.000	0.000	0.000	0.000
122	A	130	CYS	0	-0.044	-0.008	16.756	-0.034	-0.034	0.000	0.000	0.000	0.000
123	A	131	GLN	0	-0.023	-0.003	18.898	0.026	0.026	0.000	0.000	0.000	0.000
124	A	132	SER	0	0.026	0.009	21.020	0.019	0.019	0.000	0.000	0.000	0.000
125	A	133	ASN	0	-0.021	-0.042	14.193	-0.074	-0.074	0.000	0.000	0.000	0.000
126	A	134	ASN	0	0.011	0.014	18.081	0.040	0.040	0.000	0.000	0.000	0.000
127	A	135	LYS	1	1.001	0.992	12.227	-0.961	-0.961	0.000	0.000	0.000	0.000
128	A	136	MET	0	-0.020	0.012	16.392	-0.033	-0.033	0.000	0.000	0.000	0.000
129	A	137	THR	0	0.009	-0.001	19.151	-0.029	-0.029	0.000	0.000	0.000	0.000
130	A	138	ASP	-1	-0.727	-0.839	14.570	-0.147	-0.147	0.000	0.000	0.000	0.000
131	A	139	GLU	-1	-0.814	-0.893	17.126	-0.016	-0.016	0.000	0.000	0.000	0.000
132	A	140	SER	0	0.000	-0.028	15.556	0.041	0.041	0.000	0.000	0.000	0.000
133	A	141	GLU	-1	-0.804	-0.914	18.077	0.018	0.018	0.000	0.000	0.000	0.000
134	A	142	TYR	0	-0.067	-0.058	14.950	0.026	0.026	0.000	0.000	0.000	0.000
135	A	143	GLY	0	0.055	0.015	21.652	-0.024	-0.024	0.000	0.000	0.000	0.000
136	A	144	VAL	0	-0.026	-0.005	25.014	0.016	0.016	0.000	0.000	0.000	0.000
137	A	145	LYS	1	0.864	0.934	24.564	-0.055	-0.055	0.000	0.000	0.000	0.000
138	A	146	THR	0	0.001	-0.016	26.931	-0.001	-0.001	0.000	0.000	0.000	0.000
139	A	147	ASP	-1	-0.827	-0.882	25.786	-0.019	-0.019	0.000	0.000	0.000	0.000
140	A	148	SER	0	-0.013	0.017	29.107	0.008	0.008	0.000	0.000	0.000	0.000
141	A	149	GLY	0	0.040	0.007	31.531	-0.006	-0.006	0.000	0.000	0.000	0.000
142	A	150	CYS	0	-0.032	-0.016	32.620	-0.008	-0.008	0.000	0.000	0.000	0.000
143	A	151	PRO	0	0.032	0.017	34.445	0.004	0.004	0.000	0.000	0.000	0.000
144	A	152	GLU	-1	-0.762	-0.879	34.593	-0.050	-0.050	0.000	0.000	0.000	0.000
145	A	153	GLY	0	0.019	0.017	35.900	0.001	0.001	0.000	0.000	0.000	0.000
146	A	154	ALA	0	-0.019	0.001	35.859	-0.004	-0.004	0.000	0.000	0.000	0.000
147	A	155	ARG	1	0.872	0.935	34.782	0.096	0.096	0.000	0.000	0.000	0.000
148	A	156	CYS	0	-0.013	-0.012	30.549	0.008	0.008	0.000	0.000	0.000	0.000
149	A	157	TYR	0	-0.026	-0.032	29.408	-0.009	-0.009	0.000	0.000	0.000	0.000
150	A	158	VAL	0	0.014	0.025	23.039	0.006	0.006	0.000	0.000	0.000	0.000
151	A	159	PHE	0	0.031	0.010	26.131	-0.012	-0.012	0.000	0.000	0.000	0.000
152	A	160	ASN	0	0.064	0.029	20.141	0.001	0.001	0.000	0.000	0.000	0.000
153	A	161	PRO	0	0.012	0.007	22.800	0.002	0.002	0.000	0.000	0.000	0.000
154	A	162	GLU	-1	-0.814	-0.876	19.988	-0.377	-0.377	0.000	0.000	0.000	0.000
155	A	163	ALA	0	-0.043	0.009	23.271	-0.017	-0.017	0.000	0.000	0.000	0.000
156	A	164	VAL	0	0.018	0.010	24.365	0.020	0.020	0.000	0.000	0.000	0.000
157	A	165	ASN	0	-0.018	-0.022	27.527	-0.005	-0.005	0.000	0.000	0.000	0.000
158	A	166	ILE	0	0.005	-0.001	30.326	-0.006	-0.006	0.000	0.000	0.000	0.000
159	A	167	SER	0	-0.028	-0.022	33.245	0.006	0.006	0.000	0.000	0.000	0.000
160	A	168	GLY	0	-0.007	0.017	31.711	0.004	0.004	0.000	0.000	0.000	0.000
161	A	169	THR	0	-0.042	-0.019	31.972	0.000	0.000	0.000	0.000	0.000	0.000
162	A	170	LYS	1	0.842	0.908	25.439	0.226	0.226	0.000	0.000	0.000	0.000
163	A	171	GLY	0	0.004	0.008	27.469	0.017	0.017	0.000	0.000	0.000	0.000
164	A	172	ALA	0	-0.014	0.013	26.744	0.012	0.012	0.000	0.000	0.000	0.000
165	A	173	MET	0	-0.050	-0.024	26.861	-0.007	-0.007	0.000	0.000	0.000	0.000
166	A	174	VAL	0	0.005	0.004	25.079	0.000	0.000	0.000	0.000	0.000	0.000
167	A	175	HIS	0	-0.009	-0.020	28.096	0.002	0.002	0.000	0.000	0.000	0.000
168	A	176	LEU	0	-0.007	-0.014	26.179	-0.008	-0.008	0.000	0.000	0.000	0.000
169	A	177	GLN	0	-0.014	-0.015	30.561	0.004	0.004	0.000	0.000	0.000	0.000
170	A	178	LYS	1	0.826	0.919	31.145	0.034	0.034	0.000	0.000	0.000	0.000
171	A	179	THR	0	-0.016	-0.004	31.355	0.001	0.001	0.000	0.000	0.000	0.000
172	A	180	GLY	0	0.083	0.042	31.277	-0.004	-0.004	0.000	0.000	0.000	0.000
173	A	181	GLY	0	-0.029	-0.017	29.057	0.002	0.002	0.000	0.000	0.000	0.000
174	A	182	GLU	-1	-0.880	-0.919	26.423	-0.082	-0.082	0.000	0.000	0.000	0.000
175	A	183	PHE	0	0.029	0.006	26.105	0.005	0.005	0.000	0.000	0.000	0.000
176	A	184	THR	0	0.000	-0.008	27.492	-0.016	-0.016	0.000	0.000	0.000	0.000
177	A	185	CYS	0	-0.045	-0.010	26.568	-0.003	-0.003	0.000	0.000	0.000	0.000
178	A	186	VAL	0	-0.012	-0.006	29.288	0.005	0.005	0.000	0.000	0.000	0.000
179	A	187	THR	0	0.037	0.023	31.935	-0.005	-0.005	0.000	0.000	0.000	0.000
180	A	188	ALA	0	0.033	0.004	34.047	0.007	0.007	0.000	0.000	0.000	0.000
181	A	189	SER	0	0.016	0.009	36.148	0.006	0.006	0.000	0.000	0.000	0.000
182	A	190	GLY	0	0.000	-0.004	36.783	0.008	0.008	0.000	0.000	0.000	0.000
183	A	191	THR	0	-0.046	-0.009	36.839	0.005	0.005	0.000	0.000	0.000	0.000
184	A	192	PRO	0	0.003	-0.010	33.794	-0.008	-0.008	0.000	0.000	0.000	0.000
185	A	193	ALA	0	-0.004	0.009	30.499	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	194	PHE	0	0.027	-0.002	25.771	0.000	0.000	0.000	0.000	0.000	0.000
187	A	195	PHE	0	0.025	-0.006	24.046	-0.005	-0.005	0.000	0.000	0.000	0.000
188	A	196	ASP	-1	-0.773	-0.873	22.368	-0.347	-0.347	0.000	0.000	0.000	0.000
189	A	197	LEU	0	0.014	-0.001	18.550	-0.026	-0.026	0.000	0.000	0.000	0.000
190	A	198	LYS	1	0.837	0.904	17.188	0.379	0.379	0.000	0.000	0.000	0.000
191	A	199	ASN	0	0.012	0.018	18.065	-0.070	-0.070	0.000	0.000	0.000	0.000
192	A	200	LEU	0	0.056	0.038	19.323	0.028	0.028	0.000	0.000	0.000	0.000
193	A	201	LYS	1	0.936	0.966	11.143	1.088	1.088	0.000	0.000	0.000	0.000
194	A	202	GLY	0	0.000	0.000	14.234	0.012	0.012	0.000	0.000	0.000	0.000
195	A	203	TRP	0	-0.002	-0.001	15.110	0.063	0.063	0.000	0.000	0.000	0.000
196	A	204	ALA	0	-0.009	-0.010	14.273	0.048	0.048	0.000	0.000	0.000	0.000
197	A	205	GLY	0	-0.009	-0.021	16.073	-0.032	-0.032	0.000	0.000	0.000	0.000
198	A	206	LEU	0	-0.032	0.001	17.778	0.036	0.036	0.000	0.000	0.000	0.000
199	A	207	PRO	0	-0.008	0.011	20.957	0.008	0.008	0.000	0.000	0.000	0.000
200	A	208	ILE	0	-0.025	-0.013	23.990	-0.017	-0.017	0.000	0.000	0.000	0.000
201	A	209	PHE	0	0.034	0.005	26.611	0.017	0.017	0.000	0.000	0.000	0.000
202	A	210	GLU	-1	-0.784	-0.868	30.156	-0.050	-0.050	0.000	0.000	0.000	0.000
203	A	211	ALA	0	0.000	0.005	33.470	0.000	0.000	0.000	0.000	0.000	0.000
204	A	212	SER	0	0.018	-0.001	35.514	0.000	0.000	0.000	0.000	0.000	0.000
205	A	213	SER	0	-0.028	-0.070	36.166	0.001	0.001	0.000	0.000	0.000	0.000
206	A	214	GLY	0	0.047	0.042	33.907	0.002	0.002	0.000	0.000	0.000	0.000
207	A	215	ARG	1	0.873	0.928	32.846	0.031	0.031	0.000	0.000	0.000	0.000
208	A	216	VAL	0	-0.013	-0.004	26.461	-0.007	-0.007	0.000	0.000	0.000	0.000
209	A	217	VAL	0	-0.016	-0.014	28.825	0.011	0.011	0.000	0.000	0.000	0.000
210	A	218	GLY	0	-0.011	-0.002	25.746	0.010	0.010	0.000	0.000	0.000	0.000
211	A	219	ARG	1	0.753	0.864	19.719	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	220	VAL	0	0.026	0.021	18.778	0.003	0.003	0.000	0.000	0.000	0.000
213	A	221	LYS	1	0.767	0.891	17.288	-0.010	-0.010	0.000	0.000	0.000	0.000
214	A	222	VAL	0	0.010	-0.008	16.244	-0.062	-0.062	0.000	0.000	0.000	0.000
215	A	223	GLY	0	0.010	0.017	18.136	0.028	0.028	0.000	0.000	0.000	0.000
216	A	224	LYS	1	0.873	0.922	19.573	0.107	0.107	0.000	0.000	0.000	0.000
217	A	225	ASN	0	0.050	0.033	22.240	0.019	0.019	0.000	0.000	0.000	0.000
218	A	226	GLU	-1	-0.809	-0.908	24.485	-0.108	-0.108	0.000	0.000	0.000	0.000
219	A	227	ASP	-1	-0.882	-0.920	27.257	-0.167	-0.167	0.000	0.000	0.000	0.000
220	A	228	SER	0	0.023	0.002	29.633	0.001	0.001	0.000	0.000	0.000	0.000
221	A	229	LYS	1	0.834	0.931	29.503	0.110	0.110	0.000	0.000	0.000	0.000
222	A	230	PRO	0	0.052	0.035	29.860	-0.010	-0.010	0.000	0.000	0.000	0.000
223	A	231	THR	0	-0.001	-0.018	24.061	0.000	0.000	0.000	0.000	0.000	0.000
224	A	232	LYS	1	0.827	0.901	25.192	0.117	0.117	0.000	0.000	0.000	0.000
225	A	233	LEU	0	-0.010	-0.007	21.562	-0.031	-0.031	0.000	0.000	0.000	0.000
226	A	234	MET	0	-0.002	0.006	21.416	0.021	0.021	0.000	0.000	0.000	0.000
227	A	235	SER	0	0.014	-0.010	21.781	-0.017	-0.017	0.000	0.000	0.000	0.000
228	A	236	GLY	0	0.003	0.006	17.522	0.021	0.021	0.000	0.000	0.000	0.000
229	A	244	ALA	0	0.023	-0.006	33.438	0.001	0.001	0.000	0.000	0.000	0.000
230	A	245	THR	0	0.023	-0.003	29.089	-0.006	-0.006	0.000	0.000	0.000	0.000
231	A	246	ASP	-1	-0.881	-0.937	29.577	0.040	0.040	0.000	0.000	0.000	0.000
232	A	247	LEU	0	0.011	0.006	31.809	-0.008	-0.008	0.000	0.000	0.000	0.000
233	A	248	THR	0	0.015	0.010	33.072	-0.006	-0.006	0.000	0.000	0.000	0.000
234	A	249	GLU	-1	-0.819	-0.900	28.246	-0.048	-0.048	0.000	0.000	0.000	0.000
235	A	250	MET	0	-0.034	-0.012	32.244	-0.006	-0.006	0.000	0.000	0.000	0.000
236	A	251	VAL	0	0.040	0.022	34.837	-0.004	-0.004	0.000	0.000	0.000	0.000
237	A	252	LYS	1	0.897	0.967	29.785	0.075	0.075	0.000	0.000	0.000	0.000
238	A	253	LYS	1	0.823	0.896	28.823	0.034	0.034	0.000	0.000	0.000	0.000
239	A	254	ILE	0	0.000	0.001	34.934	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	255	THR	0	-0.003	-0.027	38.439	-0.004	-0.004	0.000	0.000	0.000	0.000
241	A	256	THR	0	-0.118	-0.066	35.224	-0.004	-0.004	0.000	0.000	0.000	0.000
242	A	257	MET	0	-0.085	0.005	38.115	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	258	ASN	0	-0.022	-0.021	38.981	0.001	0.001	0.000	0.000	0.000	0.000
244	A	259	ARG	1	0.771	0.852	42.177	0.032	0.032	0.000	0.000	0.000	0.000
245	A	260	GLY	0	0.062	0.041	44.889	-0.003	-0.003	0.000	0.000	0.000	0.000
246	A	261	GLU	-1	-0.806	-0.861	37.808	-0.053	-0.053	0.000	0.000	0.000	0.000
247	A	262	PHE	0	0.040	-0.005	40.157	0.003	0.003	0.000	0.000	0.000	0.000
248	A	263	ARG	1	0.785	0.881	35.846	0.037	0.037	0.000	0.000	0.000	0.000
249	A	264	GLN	0	0.104	0.067	36.674	0.005	0.005	0.000	0.000	0.000	0.000
250	A	265	ILE	0	-0.039	-0.027	36.146	0.000	0.000	0.000	0.000	0.000	0.000
251	A	266	THR	0	0.027	0.012	35.546	0.002	0.002	0.000	0.000	0.000	0.000
252	A	267	LEU	0	0.003	-0.008	36.160	0.002	0.002	0.000	0.000	0.000	0.000
253	A	268	ALA	0	0.033	0.023	37.945	0.001	0.001	0.000	0.000	0.000	0.000
254	A	269	THR	0	0.060	0.012	39.655	-0.002	-0.002	0.000	0.000	0.000	0.000
255	A	270	GLY	0	-0.015	-0.003	42.635	-0.003	-0.003	0.000	0.000	0.000	0.000
256	A	271	ALA	0	-0.042	-0.019	38.553	0.000	0.000	0.000	0.000	0.000	0.000
257	A	272	GLY	0	-0.011	0.003	40.485	-0.004	-0.004	0.000	0.000	0.000	0.000
258	A	273	LYS	1	0.742	0.831	41.932	-0.028	-0.028	0.000	0.000	0.000	0.000
259	A	274	THR	0	0.047	0.025	43.028	-0.003	-0.003	0.000	0.000	0.000	0.000
260	A	275	THR	0	0.028	0.014	46.118	-0.003	-0.003	0.000	0.000	0.000	0.000
261	A	276	GLU	-1	-0.706	-0.849	42.933	0.010	0.010	0.000	0.000	0.000	0.000
262	A	277	LEU	0	0.006	0.033	39.299	-0.003	-0.003	0.000	0.000	0.000	0.000
263	A	278	PRO	0	0.035	0.007	42.519	-0.004	-0.004	0.000	0.000	0.000	0.000
264	A	279	ARG	1	0.815	0.904	42.502	-0.006	-0.006	0.000	0.000	0.000	0.000
265	A	280	SER	0	-0.006	-0.024	40.804	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	281	VAL	0	0.021	0.012	41.155	-0.004	-0.004	0.000	0.000	0.000	0.000
267	A	282	ILE	0	-0.025	-0.006	43.214	-0.004	-0.004	0.000	0.000	0.000	0.000
268	A	283	GLU	-1	-0.866	-0.920	44.637	-0.009	-0.009	0.000	0.000	0.000	0.000
269	A	284	GLU	-1	-0.969	-0.959	39.737	-0.038	-0.038	0.000	0.000	0.000	0.000
270	A	285	ILE	0	-0.036	-0.012	43.141	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	286	GLY	0	-0.008	-0.004	45.254	-0.003	-0.003	0.000	0.000	0.000	0.000
272	A	287	ARG	1	0.843	0.890	48.122	0.012	0.012	0.000	0.000	0.000	0.000
273	A	288	HIS	0	-0.011	-0.006	51.175	0.002	0.002	0.000	0.000	0.000	0.000
274	A	289	LYS	1	0.823	0.920	47.749	0.032	0.032	0.000	0.000	0.000	0.000
275	A	290	ARG	1	0.966	1.018	51.696	0.015	0.015	0.000	0.000	0.000	0.000
276	A	291	VAL	0	-0.005	-0.001	47.607	-0.002	-0.002	0.000	0.000	0.000	0.000
277	A	292	LEU	0	-0.008	0.012	50.363	0.002	0.002	0.000	0.000	0.000	0.000
278	A	293	VAL	0	-0.016	-0.020	48.452	0.000	0.000	0.000	0.000	0.000	0.000
279	A	294	LEU	0	-0.021	0.006	50.369	0.001	0.001	0.000	0.000	0.000	0.000
280	A	295	ILE	0	0.015	-0.011	50.766	0.002	0.002	0.000	0.000	0.000	0.000
281	A	296	PRO	0	0.047	0.023	51.509	-0.001	-0.001	0.000	0.000	0.000	0.000
282	A	297	LEU	0	0.007	0.008	54.678	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	298	ARG	1	0.974	0.962	56.919	-0.009	-0.009	0.000	0.000	0.000	0.000
284	A	299	ALA	0	0.038	0.017	59.246	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	300	ALA	0	0.017	0.017	53.846	0.000	0.000	0.000	0.000	0.000	0.000
286	A	301	ALA	0	0.028	0.010	54.989	0.000	0.000	0.000	0.000	0.000	0.000
287	A	302	GLU	-1	-0.890	-0.944	56.023	0.012	0.012	0.000	0.000	0.000	0.000
288	A	303	SER	0	0.024	0.020	55.682	0.000	0.000	0.000	0.000	0.000	0.000
289	A	304	VAL	0	-0.008	-0.014	50.933	0.000	0.000	0.000	0.000	0.000	0.000
290	A	305	TYR	0	0.007	0.007	53.782	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	306	GLN	0	0.007	0.008	56.140	-0.002	-0.002	0.000	0.000	0.000	0.000
292	A	307	TYR	0	0.014	0.009	49.324	0.000	0.000	0.000	0.000	0.000	0.000
293	A	308	MET	0	-0.030	-0.007	48.311	0.001	0.001	0.000	0.000	0.000	0.000
294	A	309	ARG	1	0.863	0.930	53.120	-0.008	-0.008	0.000	0.000	0.000	0.000
295	A	310	GLN	0	-0.059	-0.033	56.157	-0.001	-0.001	0.000	0.000	0.000	0.000
296	A	311	LYS	1	0.823	0.922	47.007	-0.020	-0.020	0.000	0.000	0.000	0.000
297	A	312	HIS	0	-0.051	-0.044	47.271	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	313	PRO	0	0.049	0.018	52.599	-0.002	-0.002	0.000	0.000	0.000	0.000
299	A	314	SER	0	-0.018	-0.001	51.846	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	315	ILE	0	-0.036	-0.010	48.985	-0.003	-0.003	0.000	0.000	0.000	0.000
301	A	316	ALA	0	0.030	0.029	53.457	0.002	0.002	0.000	0.000	0.000	0.000
302	A	317	PHE	0	0.060	0.022	51.169	0.000	0.000	0.000	0.000	0.000	0.000
303	A	318	ASN	0	-0.078	-0.049	56.262	-0.001	-0.001	0.000	0.000	0.000	0.000
304	A	319	LEU	0	0.041	0.037	57.136	0.000	0.000	0.000	0.000	0.000	0.000
305	A	320	ARG	1	0.772	0.868	58.774	0.003	0.003	0.000	0.000	0.000	0.000
306	A	321	ILE	0	0.045	0.002	59.372	0.000	0.000	0.000	0.000	0.000	0.000
307	A	322	GLY	0	-0.008	0.002	61.790	0.001	0.001	0.000	0.000	0.000	0.000
308	A	323	GLU	-1	-0.830	-0.901	65.161	0.001	0.001	0.000	0.000	0.000	0.000
309	A	324	MET	0	-0.029	-0.015	64.649	0.000	0.000	0.000	0.000	0.000	0.000
310	A	325	LYS	1	0.877	0.926	63.963	0.007	0.007	0.000	0.000	0.000	0.000
311	A	326	GLU	-1	-0.804	-0.904	64.570	-0.008	-0.008	0.000	0.000	0.000	0.000
312	A	327	GLY	0	0.011	0.007	64.398	0.000	0.000	0.000	0.000	0.000	0.000
313	A	328	ASP	-1	-0.838	-0.895	60.704	-0.007	-0.007	0.000	0.000	0.000	0.000
314	A	329	MET	0	0.020	0.002	57.896	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	330	ALA	0	-0.071	-0.023	59.018	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	331	THR	0	0.044	0.008	56.221	0.000	0.000	0.000	0.000	0.000	0.000
317	A	332	GLY	0	0.020	0.025	54.061	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	333	ILE	0	0.005	0.013	48.605	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	334	THR	0	-0.035	-0.026	52.695	0.001	0.001	0.000	0.000	0.000	0.000
320	A	335	TYR	0	0.009	-0.005	49.131	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	336	ALA	0	0.008	-0.004	54.473	0.000	0.000	0.000	0.000	0.000	0.000
322	A	337	SER	0	0.001	0.013	55.082	0.001	0.001	0.000	0.000	0.000	0.000
323	A	338	TYR	0	0.055	0.001	49.872	-0.002	-0.002	0.000	0.000	0.000	0.000
324	A	339	GLY	0	0.084	0.023	56.537	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	340	TYR	0	-0.062	-0.008	59.576	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	341	PHE	0	0.047	0.001	56.564	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	342	CYS	0	-0.059	0.001	59.719	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	343	GLN	0	-0.083	-0.028	61.293	0.000	0.000	0.000	0.000	0.000	0.000
329	A	344	MET	0	-0.051	-0.013	61.108	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	345	SER	0	0.047	0.027	63.166	0.000	0.000	0.000	0.000	0.000	0.000
331	A	346	GLN	0	0.033	-0.002	56.899	0.001	0.001	0.000	0.000	0.000	0.000
332	A	347	PRO	0	-0.029	-0.023	60.392	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	348	LYS	1	0.872	0.923	61.339	0.007	0.007	0.000	0.000	0.000	0.000
334	A	349	LEU	0	0.009	0.013	56.985	0.000	0.000	0.000	0.000	0.000	0.000
335	A	350	ARG	1	0.892	0.935	54.784	0.023	0.023	0.000	0.000	0.000	0.000
336	A	351	ALA	0	-0.023	-0.018	56.857	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	352	ALA	0	-0.003	0.000	58.565	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	353	MET	0	-0.030	-0.014	53.447	0.000	0.000	0.000	0.000	0.000	0.000
339	A	354	VAL	0	-0.015	-0.009	52.906	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	355	GLU	-1	-0.877	-0.942	53.416	-0.024	-0.024	0.000	0.000	0.000	0.000
341	A	356	TYR	0	-0.073	-0.033	51.364	0.000	0.000	0.000	0.000	0.000	0.000
342	A	357	SER	0	-0.084	-0.045	47.796	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	358	PHE	0	0.005	-0.018	42.204	-0.002	-0.002	0.000	0.000	0.000	0.000
344	A	359	ILE	0	0.030	0.021	46.900	0.002	0.002	0.000	0.000	0.000	0.000
345	A	360	PHE	0	-0.008	-0.018	42.362	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	361	LEU	0	0.017	0.011	46.177	0.001	0.001	0.000	0.000	0.000	0.000
347	A	362	ASP	-1	-0.754	-0.886	46.124	0.020	0.020	0.000	0.000	0.000	0.000
348	A	363	GLU	-1	-0.889	-0.930	46.394	0.026	0.026	0.000	0.000	0.000	0.000
349	A	364	TYR	0	0.023	-0.008	40.616	0.001	0.001	0.000	0.000	0.000	0.000
350	A	365	HIS	0	0.045	0.035	44.876	-0.002	-0.002	0.000	0.000	0.000	0.000
351	A	366	CYS	0	-0.094	-0.032	46.763	0.002	0.002	0.000	0.000	0.000	0.000
352	A	367	ALA	0	0.066	0.021	50.479	-0.002	-0.002	0.000	0.000	0.000	0.000
353	A	368	THR	0	-0.046	-0.028	52.456	0.000	0.000	0.000	0.000	0.000	0.000
354	A	369	PRO	0	0.070	0.028	55.152	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	370	GLU	-1	-0.812	-0.899	57.294	0.008	0.008	0.000	0.000	0.000	0.000
356	A	371	GLN	0	-0.047	-0.013	50.111	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	372	LEU	0	0.041	0.016	51.255	-0.002	-0.002	0.000	0.000	0.000	0.000
358	A	373	ALA	0	0.011	0.014	53.580	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	374	ILE	0	-0.032	-0.023	53.369	-0.002	-0.002	0.000	0.000	0.000	0.000
360	A	375	MET	0	-0.033	-0.012	47.384	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	376	GLY	0	0.074	0.041	51.185	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	377	LYS	1	0.813	0.890	52.894	0.003	0.003	0.000	0.000	0.000	0.000
363	A	378	ILE	0	0.003	-0.023	49.989	-0.002	-0.002	0.000	0.000	0.000	0.000
364	A	379	HIS	0	-0.045	-0.023	46.917	0.000	0.000	0.000	0.000	0.000	0.000
365	A	380	ARG	1	0.927	0.972	50.522	0.010	0.010	0.000	0.000	0.000	0.000
366	A	381	PHE	0	-0.034	0.004	52.688	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	382	SER	0	0.037	0.014	47.050	-0.002	-0.002	0.000	0.000	0.000	0.000
368	A	383	GLU	-1	-0.814	-0.910	47.356	-0.029	-0.029	0.000	0.000	0.000	0.000
369	A	384	ASN	0	-0.070	-0.021	48.271	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	385	LEU	0	-0.011	0.000	48.234	0.001	0.001	0.000	0.000	0.000	0.000
371	A	386	ARG	1	0.871	0.959	43.305	0.033	0.033	0.000	0.000	0.000	0.000
372	A	387	VAL	0	0.006	0.011	44.246	0.003	0.003	0.000	0.000	0.000	0.000
373	A	388	VAL	0	0.009	-0.002	40.421	-0.002	-0.002	0.000	0.000	0.000	0.000
374	A	389	ALA	0	0.018	0.031	42.015	0.002	0.002	0.000	0.000	0.000	0.000
375	A	390	MET	0	-0.065	-0.025	41.340	0.001	0.001	0.000	0.000	0.000	0.000
376	A	391	THR	0	0.032	0.019	41.033	0.002	0.002	0.000	0.000	0.000	0.000
377	A	392	ALA	0	-0.010	-0.010	40.509	0.001	0.001	0.000	0.000	0.000	0.000
378	A	393	THR	0	-0.080	-0.044	40.298	0.006	0.006	0.000	0.000	0.000	0.000
379	A	394	PRO	0	0.016	0.004	37.513	-0.003	-0.003	0.000	0.000	0.000	0.000
380	A	395	ALA	0	0.041	0.034	40.775	0.003	0.003	0.000	0.000	0.000	0.000
381	A	396	GLY	0	0.047	0.032	40.124	0.002	0.002	0.000	0.000	0.000	0.000
382	A	397	THR	0	-0.054	-0.031	37.887	0.004	0.004	0.000	0.000	0.000	0.000
383	A	398	VAL	0	0.006	-0.001	39.675	-0.003	-0.003	0.000	0.000	0.000	0.000
384	A	399	THR	0	0.046	0.031	39.734	0.003	0.003	0.000	0.000	0.000	0.000
385	A	400	THR	0	-0.051	-0.031	40.418	0.005	0.005	0.000	0.000	0.000	0.000
386	A	401	THR	0	0.018	-0.002	43.411	-0.007	-0.007	0.000	0.000	0.000	0.000
387	A	402	GLY	0	0.016	0.014	42.678	0.004	0.004	0.000	0.000	0.000	0.000
388	A	403	GLN	0	0.008	0.013	42.373	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	404	LYS	1	0.774	0.877	42.817	-0.074	-0.074	0.000	0.000	0.000	0.000
390	A	405	HIS	0	0.025	0.032	43.880	0.005	0.005	0.000	0.000	0.000	0.000
391	A	406	PRO	0	-0.010	0.007	43.257	0.000	0.000	0.000	0.000	0.000	0.000
392	A	407	ILE	0	0.004	-0.009	44.524	-0.005	-0.005	0.000	0.000	0.000	0.000
393	A	408	GLU	-1	-0.851	-0.884	45.981	0.087	0.087	0.000	0.000	0.000	0.000
394	A	409	GLU	-1	-0.818	-0.902	46.475	0.082	0.082	0.000	0.000	0.000	0.000
395	A	410	PHE	0	0.001	0.001	48.723	0.002	0.002	0.000	0.000	0.000	0.000
396	A	411	ILE	0	-0.041	-0.019	49.088	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	412	ALA	0	-0.018	-0.006	53.293	0.000	0.000	0.000	0.000	0.000	0.000
398	A	413	PRO	0	-0.028	-0.018	57.065	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	414	GLU	-1	-0.901	-0.951	59.368	0.044	0.044	0.000	0.000	0.000	0.000
400	A	415	VAL	0	-0.056	-0.018	62.049	0.000	0.000	0.000	0.000	0.000	0.000
401	A	424	GLU	-1	-0.935	-0.977	67.038	0.046	0.046	0.000	0.000	0.000	0.000
402	A	425	TYR	0	0.014	-0.014	61.187	0.002	0.002	0.000	0.000	0.000	0.000
403	A	426	LEU	0	-0.021	-0.016	64.719	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	427	ASP	-1	-0.901	-0.942	65.213	0.042	0.042	0.000	0.000	0.000	0.000
405	A	428	ILE	0	-0.023	-0.020	62.547	-0.002	-0.002	0.000	0.000	0.000	0.000
406	A	429	ALA	0	-0.051	-0.037	62.497	0.001	0.001	0.000	0.000	0.000	0.000
407	A	430	GLY	0	0.038	0.027	63.191	0.000	0.000	0.000	0.000	0.000	0.000
408	A	431	LEU	0	-0.011	0.009	58.113	0.001	0.001	0.000	0.000	0.000	0.000
409	A	432	LYS	1	0.893	0.964	61.501	-0.054	-0.054	0.000	0.000	0.000	0.000
410	A	433	ILE	0	0.025	0.005	59.435	0.003	0.003	0.000	0.000	0.000	0.000
411	A	434	PRO	0	-0.001	-0.003	59.463	-0.002	-0.002	0.000	0.000	0.000	0.000
412	A	435	VAL	0	0.024	-0.002	62.613	0.000	0.000	0.000	0.000	0.000	0.000
413	A	436	GLU	-1	-0.881	-0.918	61.594	0.054	0.054	0.000	0.000	0.000	0.000
414	A	437	GLU	-1	-0.755	-0.887	57.050	0.063	0.063	0.000	0.000	0.000	0.000
415	A	438	MET	0	-0.040	0.006	61.259	0.000	0.000	0.000	0.000	0.000	0.000
416	A	439	LYS	1	0.804	0.898	63.350	-0.053	-0.053	0.000	0.000	0.000	0.000
417	A	440	ASN	0	-0.110	-0.060	59.065	0.000	0.000	0.000	0.000	0.000	0.000
418	A	441	ASN	0	0.003	0.009	59.154	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	442	MET	0	0.004	0.008	58.646	0.002	0.002	0.000	0.000	0.000	0.000
420	A	443	LEU	0	-0.030	-0.014	55.793	-0.003	-0.003	0.000	0.000	0.000	0.000
421	A	444	VAL	0	0.007	0.002	57.841	0.002	0.002	0.000	0.000	0.000	0.000
422	A	445	PHE	0	0.034	0.018	53.944	-0.002	-0.002	0.000	0.000	0.000	0.000
423	A	446	VAL	0	0.010	0.016	58.436	0.001	0.001	0.000	0.000	0.000	0.000
424	A	447	PRO	0	0.003	0.013	60.026	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	448	THR	0	0.032	-0.004	60.996	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	449	ARG	1	1.041	1.017	64.431	-0.022	-0.022	0.000	0.000	0.000	0.000
427	A	450	ASN	0	0.006	0.009	66.619	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	451	MET	0	-0.002	-0.007	64.406	0.000	0.000	0.000	0.000	0.000	0.000
429	A	452	ALA	0	0.022	0.022	64.910	0.001	0.001	0.000	0.000	0.000	0.000
430	A	453	VAL	0	0.024	0.005	66.520	0.001	0.001	0.000	0.000	0.000	0.000
431	A	454	GLU	-1	-0.852	-0.897	70.121	0.028	0.028	0.000	0.000	0.000	0.000
432	A	455	ALA	0	0.047	0.006	66.906	0.000	0.000	0.000	0.000	0.000	0.000
433	A	456	ALA	0	0.038	0.031	68.344	0.001	0.001	0.000	0.000	0.000	0.000
434	A	457	LYS	1	0.888	0.941	69.530	-0.026	-0.026	0.000	0.000	0.000	0.000
435	A	458	LYS	1	0.876	0.923	71.138	-0.031	-0.031	0.000	0.000	0.000	0.000
436	A	459	LEU	0	-0.007	0.002	66.190	0.000	0.000	0.000	0.000	0.000	0.000
437	A	460	LYS	1	0.876	0.932	70.787	-0.031	-0.031	0.000	0.000	0.000	0.000
438	A	461	ALA	0	-0.043	-0.013	73.297	0.000	0.000	0.000	0.000	0.000	0.000
439	A	462	LYS	1	0.917	0.960	71.326	-0.036	-0.036	0.000	0.000	0.000	0.000
440	A	463	GLY	0	0.002	0.025	74.257	0.001	0.001	0.000	0.000	0.000	0.000
441	A	464	TYR	0	0.022	0.005	68.876	0.001	0.001	0.000	0.000	0.000	0.000
442	A	465	ASN	0	-0.036	-0.024	67.909	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	466	SER	0	-0.025	-0.027	67.812	0.001	0.001	0.000	0.000	0.000	0.000
444	A	467	GLY	0	0.053	0.021	67.355	-0.002	-0.002	0.000	0.000	0.000	0.000
445	A	468	TYR	0	-0.032	-0.015	66.105	0.001	0.001	0.000	0.000	0.000	0.000
446	A	469	TYR	0	-0.041	-0.051	61.967	0.000	0.000	0.000	0.000	0.000	0.000
447	A	470	TYR	0	-0.007	-0.036	63.493	0.001	0.001	0.000	0.000	0.000	0.000
448	A	471	SER	0	-0.017	-0.019	63.071	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	472	GLY	0	0.034	0.005	64.312	-0.001	-0.001	0.000	0.000	0.000	0.000
450	A	473	GLU	-1	-0.847	-0.894	65.992	0.023	0.023	0.000	0.000	0.000	0.000
451	A	474	ASP	-1	-0.753	-0.837	65.909	0.022	0.022	0.000	0.000	0.000	0.000
452	A	475	PRO	0	-0.054	-0.032	62.770	0.001	0.001	0.000	0.000	0.000	0.000
453	A	476	SER	0	-0.057	-0.056	64.856	0.001	0.001	0.000	0.000	0.000	0.000
454	A	477	ASN	0	0.004	0.012	67.733	0.000	0.000	0.000	0.000	0.000	0.000
455	A	478	LEU	0	0.021	0.009	63.454	0.001	0.001	0.000	0.000	0.000	0.000
456	A	479	ARG	1	0.927	0.969	65.652	-0.023	-0.023	0.000	0.000	0.000	0.000
457	A	480	VAL	0	-0.003	0.018	67.172	0.001	0.001	0.000	0.000	0.000	0.000
458	A	481	VAL	0	-0.032	-0.002	66.140	0.001	0.001	0.000	0.000	0.000	0.000
459	A	482	THR	0	0.017	-0.012	62.550	0.001	0.001	0.000	0.000	0.000	0.000
460	A	483	SER	0	-0.082	-0.041	64.307	0.001	0.001	0.000	0.000	0.000	0.000
461	A	484	GLN	0	-0.015	-0.025	65.661	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	485	SER	0	0.000	0.000	64.590	0.001	0.001	0.000	0.000	0.000	0.000
463	A	486	PRO	0	0.023	0.040	63.871	0.001	0.001	0.000	0.000	0.000	0.000
464	A	487	TYR	0	-0.001	-0.028	59.541	-0.002	-0.002	0.000	0.000	0.000	0.000
465	A	488	VAL	0	0.040	0.013	63.207	0.002	0.002	0.000	0.000	0.000	0.000
466	A	489	VAL	0	-0.027	-0.010	61.085	-0.002	-0.002	0.000	0.000	0.000	0.000
467	A	490	VAL	0	0.002	0.006	62.013	0.002	0.002	0.000	0.000	0.000	0.000
468	A	491	ALA	0	0.021	-0.001	60.290	-0.002	-0.002	0.000	0.000	0.000	0.000
469	A	492	THR	0	-0.010	0.001	60.084	0.001	0.001	0.000	0.000	0.000	0.000
470	A	493	ASN	0	0.020	0.021	53.088	0.002	0.002	0.000	0.000	0.000	0.000
471	A	494	ALA	0	-0.042	-0.019	56.152	0.000	0.000	0.000	0.000	0.000	0.000
472	A	495	ILE	0	-0.036	-0.014	57.881	0.000	0.000	0.000	0.000	0.000	0.000
473	A	496	GLU	-1	-0.784	-0.877	52.082	0.046	0.046	0.000	0.000	0.000	0.000
474	A	497	SER	0	-0.018	-0.014	54.491	0.001	0.001	0.000	0.000	0.000	0.000
475	A	498	GLY	0	0.013	-0.007	55.807	0.001	0.001	0.000	0.000	0.000	0.000
476	A	499	VAL	0	0.030	0.018	57.917	0.000	0.000	0.000	0.000	0.000	0.000
477	A	500	THR	0	-0.058	-0.022	56.849	0.001	0.001	0.000	0.000	0.000	0.000
478	A	501	LEU	0	0.014	0.011	56.708	0.000	0.000	0.000	0.000	0.000	0.000
479	A	502	PRO	0	-0.016	0.012	56.623	0.002	0.002	0.000	0.000	0.000	0.000
480	A	503	ASP	-1	-0.833	-0.914	55.814	0.053	0.053	0.000	0.000	0.000	0.000
481	A	504	LEU	0	-0.029	0.001	54.639	0.000	0.000	0.000	0.000	0.000	0.000
482	A	505	ASP	-1	-0.763	-0.875	54.545	0.058	0.058	0.000	0.000	0.000	0.000
483	A	506	VAL	0	0.010	-0.005	54.256	0.003	0.003	0.000	0.000	0.000	0.000
484	A	507	VAL	0	-0.057	-0.023	53.465	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	508	VAL	0	0.008	0.006	55.118	0.003	0.003	0.000	0.000	0.000	0.000
486	A	509	ASP	-1	-0.813	-0.907	52.529	0.051	0.051	0.000	0.000	0.000	0.000
487	A	510	THR	0	0.016	-0.035	55.728	0.001	0.001	0.000	0.000	0.000	0.000
488	A	511	GLY	0	0.021	0.032	54.115	0.000	0.000	0.000	0.000	0.000	0.000
489	A	512	LEU	0	-0.008	-0.002	55.016	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	513	LYS	1	0.802	0.878	52.387	-0.037	-0.037	0.000	0.000	0.000	0.000
491	A	514	CYS	0	-0.078	-0.040	57.964	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	515	GLU	-1	-0.785	-0.878	54.499	0.031	0.031	0.000	0.000	0.000	0.000
493	A	516	LYS	1	0.868	0.937	59.183	-0.017	-0.017	0.000	0.000	0.000	0.000
494	A	517	ARG	1	0.827	0.915	53.395	-0.028	-0.028	0.000	0.000	0.000	0.000
495	A	518	ILE	0	0.029	0.012	58.709	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	519	ARG	1	0.775	0.862	59.857	-0.016	-0.016	0.000	0.000	0.000	0.000
497	A	520	LEU	0	0.030	0.011	58.978	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	521	SER	0	-0.037	-0.008	62.075	0.001	0.001	0.000	0.000	0.000	0.000
499	A	522	PRO	0	0.006	-0.020	63.984	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	523	LYS	1	0.936	0.976	66.472	-0.011	-0.011	0.000	0.000	0.000	0.000
501	A	524	MET	0	-0.034	0.021	69.294	0.000	0.000	0.000	0.000	0.000	0.000
502	A	525	PRO	0	0.033	0.028	70.118	0.000	0.000	0.000	0.000	0.000	0.000
503	A	526	PHE	0	-0.034	-0.016	65.922	0.001	0.001	0.000	0.000	0.000	0.000
504	A	527	ILE	0	-0.014	-0.004	63.985	0.001	0.001	0.000	0.000	0.000	0.000
505	A	528	VAL	0	0.035	0.026	64.905	0.000	0.000	0.000	0.000	0.000	0.000
506	A	529	THR	0	-0.036	-0.045	63.727	0.001	0.001	0.000	0.000	0.000	0.000
507	A	530	GLY	0	0.071	0.020	63.845	0.000	0.000	0.000	0.000	0.000	0.000
508	A	531	LEU	0	-0.055	-0.034	62.775	0.001	0.001	0.000	0.000	0.000	0.000
509	A	532	LYS	1	0.896	0.939	60.582	-0.023	-0.023	0.000	0.000	0.000	0.000
510	A	533	ARG	1	0.948	0.963	60.619	-0.034	-0.034	0.000	0.000	0.000	0.000
511	A	534	MET	0	-0.053	-0.005	55.794	0.000	0.000	0.000	0.000	0.000	0.000
512	A	535	ALA	0	0.101	0.049	52.891	0.000	0.000	0.000	0.000	0.000	0.000
513	A	536	VAL	0	-0.039	-0.006	50.726	-0.002	-0.002	0.000	0.000	0.000	0.000
514	A	537	THR	0	0.027	0.000	46.647	0.001	0.001	0.000	0.000	0.000	0.000
515	A	538	ILE	0	0.043	0.021	43.188	0.002	0.002	0.000	0.000	0.000	0.000
516	A	539	GLY	0	0.009	-0.014	44.229	0.003	0.003	0.000	0.000	0.000	0.000
517	A	540	GLU	-1	-0.743	-0.854	44.962	0.043	0.043	0.000	0.000	0.000	0.000
518	A	541	GLN	0	0.069	0.029	47.193	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	542	ALA	0	-0.085	-0.044	44.018	0.002	0.002	0.000	0.000	0.000	0.000
520	A	543	GLN	0	-0.036	-0.016	46.089	0.002	0.002	0.000	0.000	0.000	0.000
521	A	544	ARG	1	0.749	0.867	48.157	-0.047	-0.047	0.000	0.000	0.000	0.000
522	A	545	ARG	1	0.906	0.939	43.205	-0.084	-0.084	0.000	0.000	0.000	0.000
523	A	546	GLY	0	0.022	0.028	46.844	0.003	0.003	0.000	0.000	0.000	0.000
524	A	547	ARG	1	0.798	0.904	47.728	-0.047	-0.047	0.000	0.000	0.000	0.000
525	A	548	VAL	0	0.017	0.033	50.606	-0.002	-0.002	0.000	0.000	0.000	0.000
526	A	549	GLY	0	0.100	0.055	47.791	0.003	0.003	0.000	0.000	0.000	0.000
527	A	550	ARG	1	0.798	0.884	46.972	-0.053	-0.053	0.000	0.000	0.000	0.000
528	A	551	VAL	0	0.022	-0.005	48.127	0.001	0.001	0.000	0.000	0.000	0.000
529	A	552	LYS	1	0.812	0.915	50.476	-0.055	-0.055	0.000	0.000	0.000	0.000
530	A	553	PRO	0	-0.011	-0.010	48.151	0.000	0.000	0.000	0.000	0.000	0.000
531	A	554	GLY	0	0.066	0.023	49.642	-0.004	-0.004	0.000	0.000	0.000	0.000
532	A	555	ARG	1	0.762	0.880	50.269	-0.069	-0.069	0.000	0.000	0.000	0.000
533	A	556	TYR	0	0.025	-0.006	47.846	-0.004	-0.004	0.000	0.000	0.000	0.000
534	A	557	TYR	0	-0.047	-0.052	52.571	0.002	0.002	0.000	0.000	0.000	0.000
535	A	558	ARG	1	0.837	0.905	47.049	-0.079	-0.079	0.000	0.000	0.000	0.000
536	A	559	SER	0	0.063	0.029	53.870	0.002	0.002	0.000	0.000	0.000	0.000
537	A	560	GLN	0	-0.034	-0.032	53.452	0.001	0.001	0.000	0.000	0.000	0.000
538	A	561	GLU	-1	-0.900	-0.939	53.837	0.048	0.048	0.000	0.000	0.000	0.000
539	A	562	THR	0	-0.026	-0.009	48.524	0.004	0.004	0.000	0.000	0.000	0.000
540	A	563	PRO	0	-0.079	-0.041	47.384	-0.002	-0.002	0.000	0.000	0.000	0.000
541	A	564	VAL	0	0.032	0.016	48.417	0.001	0.001	0.000	0.000	0.000	0.000
542	A	565	GLY	0	-0.015	-0.017	45.378	0.000	0.000	0.000	0.000	0.000	0.000
543	A	566	SER	0	0.027	0.019	45.438	0.002	0.002	0.000	0.000	0.000	0.000
544	A	567	LYS	1	0.804	0.898	46.942	-0.025	-0.025	0.000	0.000	0.000	0.000
545	A	568	ASP	-1	-0.840	-0.911	49.415	0.021	0.021	0.000	0.000	0.000	0.000
546	A	569	TYR	0	-0.020	-0.042	48.765	0.000	0.000	0.000	0.000	0.000	0.000
547	A	570	HIS	0	0.031	0.013	52.362	-0.003	-0.003	0.000	0.000	0.000	0.000
548	A	571	TYR	0	-0.028	-0.031	55.760	-0.002	-0.002	0.000	0.000	0.000	0.000
549	A	572	ASP	-1	-0.804	-0.923	55.359	0.018	0.018	0.000	0.000	0.000	0.000
550	A	573	LEU	0	0.001	-0.001	53.688	-0.002	-0.002	0.000	0.000	0.000	0.000
551	A	574	LEU	0	-0.006	0.001	56.906	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	575	GLN	0	-0.015	-0.021	60.349	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	576	ALA	0	-0.031	-0.009	57.763	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	577	GLN	0	0.019	0.020	59.487	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	578	ARG	1	0.981	1.000	61.444	-0.006	-0.006	0.000	0.000	0.000	0.000
556	A	579	TYR	0	-0.076	-0.068	60.313	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	580	GLY	0	0.004	-0.005	62.053	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	581	ILE	0	0.008	0.018	62.765	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	582	GLU	-1	-0.853	-0.909	66.398	-0.004	-0.004	0.000	0.000	0.000	0.000
560	A	583	ASP	-1	-0.839	-0.912	63.307	-0.008	-0.008	0.000	0.000	0.000	0.000
561	A	584	GLY	0	0.043	0.038	64.944	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	585	ILE	0	-0.097	-0.058	58.954	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	586	ASN	0	0.023	0.009	59.004	0.002	0.002	0.000	0.000	0.000	0.000
564	A	587	ILE	0	0.017	0.005	56.904	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	588	THR	0	0.026	0.006	55.616	0.001	0.001	0.000	0.000	0.000	0.000
566	A	589	LYS	1	0.899	0.972	54.375	0.014	0.014	0.000	0.000	0.000	0.000
567	A	590	SER	0	-0.069	-0.049	53.211	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	591	PHE	0	0.011	0.008	49.257	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	592	ARG	1	0.800	0.866	49.891	0.008	0.008	0.000	0.000	0.000	0.000
570	A	593	GLU	-1	-0.810	-0.914	48.475	-0.014	-0.014	0.000	0.000	0.000	0.000
571	A	594	MET	0	-0.024	0.006	47.356	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	595	ASN	0	-0.029	-0.043	45.301	0.000	0.000	0.000	0.000	0.000	0.000
573	A	596	TYR	0	-0.038	-0.006	42.957	0.001	0.001	0.000	0.000	0.000	0.000
574	A	597	ASP	-1	-0.845	-0.900	42.665	-0.025	-0.025	0.000	0.000	0.000	0.000
575	A	598	TRP	0	-0.082	-0.071	41.418	0.000	0.000	0.000	0.000	0.000	0.000
576	A	599	SER	0	-0.049	-0.016	39.474	0.002	0.002	0.000	0.000	0.000	0.000
577	A	600	LEU	0	-0.052	-0.025	40.752	0.003	0.003	0.000	0.000	0.000	0.000
578	A	601	TYR	0	-0.045	-0.056	43.202	0.004	0.004	0.000	0.000	0.000	0.000
579	A	602	GLU	-1	-0.904	-0.945	43.128	0.033	0.033	0.000	0.000	0.000	0.000
580	A	603	GLU	-1	-0.882	-0.929	45.001	0.001	0.001	0.000	0.000	0.000	0.000
581	A	604	ASP	-1	-0.835	-0.897	47.153	0.018	0.018	0.000	0.000	0.000	0.000
582	A	605	SER	0	0.044	0.002	48.067	-0.001	-0.001	0.000	0.000	0.000	0.000
583	A	606	LEU	0	0.012	0.029	50.371	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	607	MET	0	0.024	0.011	53.566	-0.002	-0.002	0.000	0.000	0.000	0.000
585	A	608	ILE	0	-0.006	-0.013	51.010	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	609	THR	0	-0.006	-0.016	53.606	-0.002	-0.002	0.000	0.000	0.000	0.000
587	A	610	GLN	0	0.000	-0.012	55.790	0.000	0.000	0.000	0.000	0.000	0.000
588	A	611	LEU	0	0.026	0.007	56.150	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	612	GLU	-1	-0.828	-0.882	55.098	-0.007	-0.007	0.000	0.000	0.000	0.000
590	A	613	ILE	0	-0.022	-0.012	58.688	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	614	LEU	0	0.024	0.015	61.666	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	615	ASN	0	0.031	0.020	60.320	0.000	0.000	0.000	0.000	0.000	0.000
593	A	616	ASN	0	-0.002	-0.010	60.320	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	617	LEU	0	0.018	0.022	63.892	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	618	LEU	0	-0.039	0.003	64.637	0.000	0.000	0.000	0.000	0.000	0.000
596	A	619	ILE	0	-0.077	-0.037	63.276	0.000	0.000	0.000	0.000	0.000	0.000
597	A	620	SER	0	-0.061	-0.026	67.372	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	621	GLU	-1	-0.954	-0.978	69.265	-0.004	-0.004	0.000	0.000	0.000	0.000
599	A	622	GLU	-1	-0.934	-0.957	72.009	-0.004	-0.004	0.000	0.000	0.000	0.000
600	A	623	LEU	0	0.021	0.012	71.501	0.001	0.001	0.000	0.000	0.000	0.000
601	A	624	PRO	0	0.067	0.031	74.015	0.000	0.000	0.000	0.000	0.000	0.000
602	A	625	MET	0	0.077	0.021	76.891	0.001	0.001	0.000	0.000	0.000	0.000
603	A	626	ALA	0	-0.024	-0.004	78.442	0.000	0.000	0.000	0.000	0.000	0.000
604	A	627	VAL	0	0.077	0.032	74.413	0.001	0.001	0.000	0.000	0.000	0.000
605	A	628	LYS	1	0.831	0.904	73.034	0.004	0.004	0.000	0.000	0.000	0.000
606	A	629	ASN	0	-0.064	-0.039	74.783	0.001	0.001	0.000	0.000	0.000	0.000
607	A	630	ILE	0	0.007	0.008	76.841	0.001	0.001	0.000	0.000	0.000	0.000
608	A	631	MET	0	-0.017	-0.003	69.494	0.001	0.001	0.000	0.000	0.000	0.000
609	A	632	ALA	0	-0.083	-0.032	72.588	0.001	0.001	0.000	0.000	0.000	0.000
610	A	633	ARG	1	0.867	0.926	73.660	-0.002	-0.002	0.000	0.000	0.000	0.000
611	A	634	THR	0	-0.054	-0.010	73.737	0.001	0.001	0.000	0.000	0.000	0.000
612	A	635	ASP	-1	-0.834	-0.884	73.426	0.010	0.010	0.000	0.000	0.000	0.000
613	A	636	HIS	0	0.019	-0.002	71.882	0.001	0.001	0.000	0.000	0.000	0.000
614	A	637	PRO	0	-0.012	-0.004	68.289	0.000	0.000	0.000	0.000	0.000	0.000
615	A	638	GLU	-1	-0.723	-0.801	66.075	0.014	0.014	0.000	0.000	0.000	0.000
616	A	639	PRO	0	0.005	-0.004	68.304	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	640	ILE	0	0.000	0.003	64.537	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	641	GLN	0	-0.037	-0.006	68.457	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	642	LEU	0	-0.005	-0.014	70.418	0.000	0.000	0.000	0.000	0.000	0.000
620	A	643	ALA	0	0.034	0.014	69.586	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	644	TYR	0	-0.017	-0.028	63.514	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	645	ASN	0	0.067	0.032	70.402	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	646	SER	0	-0.072	-0.026	73.573	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	647	TYR	0	-0.018	-0.021	70.305	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	648	GLU	-1	-0.772	-0.857	75.038	0.002	0.002	0.000	0.000	0.000	0.000
626	A	649	THR	0	-0.051	-0.025	77.413	0.000	0.000	0.000	0.000	0.000	0.000
627	A	650	GLN	0	0.003	-0.007	78.389	0.000	0.000	0.000	0.000	0.000	0.000
628	A	651	VAL	0	-0.040	-0.012	80.804	0.000	0.000	0.000	0.000	0.000	0.000
629	A	652	PRO	0	-0.003	-0.002	78.051	0.000	0.000	0.000	0.000	0.000	0.000
630	A	653	VAL	0	0.023	0.013	78.759	0.000	0.000	0.000	0.000	0.000	0.000
631	A	654	LEU	0	-0.048	-0.021	78.605	0.001	0.001	0.000	0.000	0.000	0.000
632	A	655	PHE	0	0.070	0.019	77.248	0.000	0.000	0.000	0.000	0.000	0.000
633	A	656	PRO	0	-0.028	-0.002	79.328	0.000	0.000	0.000	0.000	0.000	0.000
634	A	657	LYS	1	0.871	0.922	76.744	-0.015	-0.015	0.000	0.000	0.000	0.000
635	A	658	ILE	0	0.046	0.046	74.408	0.000	0.000	0.000	0.000	0.000	0.000
636	A	659	ARG	1	0.899	0.949	75.353	-0.020	-0.020	0.000	0.000	0.000	0.000
637	A	660	ASN	0	-0.073	-0.060	74.799	0.000	0.000	0.000	0.000	0.000	0.000
638	A	661	GLY	0	0.030	0.016	74.656	0.000	0.000	0.000	0.000	0.000	0.000
639	A	662	GLU	-1	-0.914	-0.931	75.406	0.019	0.019	0.000	0.000	0.000	0.000
640	A	663	VAL	0	0.039	0.013	78.757	0.000	0.000	0.000	0.000	0.000	0.000
641	A	664	THR	0	-0.075	-0.042	80.097	0.000	0.000	0.000	0.000	0.000	0.000
642	A	665	ASP	-1	-0.807	-0.907	82.645	0.012	0.012	0.000	0.000	0.000	0.000
643	A	666	THR	0	-0.084	-0.043	81.269	0.000	0.000	0.000	0.000	0.000	0.000
644	A	667	TYR	0	0.020	-0.027	80.806	0.000	0.000	0.000	0.000	0.000	0.000
645	A	668	ASP	-1	-0.820	-0.879	75.289	0.015	0.015	0.000	0.000	0.000	0.000
646	A	669	ASN	0	-0.058	-0.028	78.864	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	670	TYR	0	0.003	-0.009	73.864	0.000	0.000	0.000	0.000	0.000	0.000
648	A	671	THR	0	-0.024	-0.049	77.928	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	672	PHE	0	-0.040	-0.039	78.901	0.000	0.000	0.000	0.000	0.000	0.000
650	A	673	LEU	0	0.026	0.022	76.662	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	674	ASN	0	-0.070	-0.038	80.674	0.000	0.000	0.000	0.000	0.000	0.000
652	A	675	ALA	0	0.016	0.025	81.325	0.000	0.000	0.000	0.000	0.000	0.000
653	A	676	ARG	1	0.813	0.896	83.343	-0.007	-0.007	0.000	0.000	0.000	0.000
654	A	677	LYS	1	0.885	0.953	83.384	-0.010	-0.010	0.000	0.000	0.000	0.000
655	A	678	LEU	0	0.004	0.015	80.188	0.000	0.000	0.000	0.000	0.000	0.000
656	A	679	GLY	0	-0.040	-0.021	83.370	0.000	0.000	0.000	0.000	0.000	0.000
657	A	680	ASP	-1	-0.891	-0.953	85.313	0.009	0.009	0.000	0.000	0.000	0.000
658	A	681	ASP	-1	-0.879	-0.919	85.112	0.006	0.006	0.000	0.000	0.000	0.000
659	A	682	VAL	0	0.016	0.015	78.355	0.000	0.000	0.000	0.000	0.000	0.000
660	A	683	PRO	0	-0.003	0.008	78.125	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	684	PRO	0	0.053	0.014	77.478	0.001	0.001	0.000	0.000	0.000	0.000
662	A	685	TYR	0	-0.037	-0.030	73.377	-0.001	-0.001	0.000	0.000	0.000	0.000
663	A	686	VAL	0	0.053	0.018	69.099	0.000	0.000	0.000	0.000	0.000	0.000
664	A	687	TYR	0	-0.050	-0.071	65.586	0.000	0.000	0.000	0.000	0.000	0.000
665	A	688	ALA	0	0.036	0.023	69.265	0.000	0.000	0.000	0.000	0.000	0.000
666	A	689	THR	0	-0.028	-0.027	68.601	0.001	0.001	0.000	0.000	0.000	0.000
667	A	690	GLU	-1	-0.789	-0.867	65.137	0.019	0.019	0.000	0.000	0.000	0.000
668	A	691	ASP	-1	-0.909	-0.955	69.154	0.019	0.019	0.000	0.000	0.000	0.000
669	A	692	GLU	-1	-0.807	-0.886	72.444	0.011	0.011	0.000	0.000	0.000	0.000
670	A	693	ASP	-1	-0.786	-0.880	70.112	0.014	0.014	0.000	0.000	0.000	0.000
671	A	694	LEU	0	-0.020	-0.002	72.003	0.000	0.000	0.000	0.000	0.000	0.000
672	A	695	ALA	0	-0.009	-0.009	73.917	0.000	0.000	0.000	0.000	0.000	0.000
673	A	696	VAL	0	-0.010	-0.005	76.067	0.000	0.000	0.000	0.000	0.000	0.000
674	A	697	GLU	-1	-0.926	-0.959	73.435	0.015	0.015	0.000	0.000	0.000	0.000
675	A	698	LEU	0	-0.076	-0.040	76.466	0.000	0.000	0.000	0.000	0.000	0.000
676	A	699	LEU	0	-0.105	-0.055	79.002	0.000	0.000	0.000	0.000	0.000	0.000
677	A	700	GLY	0	-0.027	0.000	80.573	-0.001	-0.001	0.000	0.000	0.000	0.000
678	A	701	LEU	0	-0.078	-0.028	80.588	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	702	ASP	-1	-0.874	-0.941	78.131	0.011	0.011	0.000	0.000	0.000	0.000
680	A	703	TRP	0	-0.079	-0.070	73.265	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	704	PRO	0	-0.033	-0.008	76.927	0.000	0.000	0.000	0.000	0.000	0.000
682	A	705	ASP	-1	-0.903	-0.949	75.134	0.006	0.006	0.000	0.000	0.000	0.000
683	A	706	PRO	0	-0.084	-0.072	72.634	0.000	0.000	0.000	0.000	0.000	0.000
684	A	707	GLY	0	0.019	0.014	75.375	0.000	0.000	0.000	0.000	0.000	0.000
685	A	708	ASN	0	-0.051	-0.020	75.035	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	709	GLN	0	0.021	-0.006	74.397	0.000	0.000	0.000	0.000	0.000	0.000
687	A	710	GLY	0	0.044	0.040	71.585	0.000	0.000	0.000	0.000	0.000	0.000
688	A	711	THR	0	-0.010	-0.044	70.471	0.000	0.000	0.000	0.000	0.000	0.000
689	A	712	VAL	0	0.005	0.007	70.865	0.001	0.001	0.000	0.000	0.000	0.000
690	A	713	GLU	-1	-0.854	-0.914	67.424	-0.003	-0.003	0.000	0.000	0.000	0.000
691	A	714	ALA	0	0.017	0.005	66.474	0.000	0.000	0.000	0.000	0.000	0.000
692	A	715	GLY	0	0.054	0.029	65.964	0.001	0.001	0.000	0.000	0.000	0.000
693	A	716	ARG	1	0.770	0.854	64.939	0.004	0.004	0.000	0.000	0.000	0.000
694	A	717	ALA	0	0.001	0.008	63.155	0.000	0.000	0.000	0.000	0.000	0.000
695	A	718	LEU	0	0.001	0.003	61.577	0.000	0.000	0.000	0.000	0.000	0.000
696	A	719	LYS	1	0.936	0.962	61.897	-0.003	-0.003	0.000	0.000	0.000	0.000
697	A	720	GLN	0	-0.050	-0.009	60.562	0.000	0.000	0.000	0.000	0.000	0.000
698	A	721	VAL	0	0.006	-0.003	56.772	0.000	0.000	0.000	0.000	0.000	0.000
699	A	722	VAL	0	-0.051	-0.001	57.490	0.001	0.001	0.000	0.000	0.000	0.000
700	A	723	GLY	0	0.010	-0.001	58.155	0.001	0.001	0.000	0.000	0.000	0.000
701	A	724	LEU	0	-0.023	-0.024	56.775	0.000	0.000	0.000	0.000	0.000	0.000
702	A	725	SER	0	-0.055	-0.017	56.301	0.001	0.001	0.000	0.000	0.000	0.000
703	A	726	THR	0	0.018	0.012	51.667	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	727	ALA	0	-0.027	-0.017	53.699	0.000	0.000	0.000	0.000	0.000	0.000
705	A	728	GLU	-1	-0.947	-0.969	47.101	-0.003	-0.003	0.000	0.000	0.000	0.000
706	A	729	ASN	0	-0.032	-0.023	50.227	0.001	0.001	0.000	0.000	0.000	0.000
707	A	730	ALA	0	0.031	0.026	44.882	-0.002	-0.002	0.000	0.000	0.000	0.000
708	A	731	LEU	0	-0.045	-0.018	42.662	0.001	0.001	0.000	0.000	0.000	0.000
709	A	732	LEU	0	0.012	0.006	41.000	-0.002	-0.002	0.000	0.000	0.000	0.000

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