FMO DATABASE

FMODB ID: 85NNY

Calculation Name: 3NE5-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3NE5

Chain ID: A

ChEMBL ID:

UniProt ID: P38054

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	1028
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-28876509.266921
FMO2-HF: Nuclear repulsion	28483540.652599
FMO2-HF: Total energy	-392968.614322
FMO2-MP2: Total energy	-394118.243432

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

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

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.
-15.129	-9.653	0.269	-2.124	-3.62	0.006

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.026 / q_NPA : -0.007

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	6	ILE	0	0.063	0.042	3.156	-1.401	1.198	0.009	-1.091	-1.516	0.000
4	A	7	ARG	1	0.941	0.971	3.011	-10.276	-8.357	0.181	-0.825	-1.276	0.007
5	A	8	ARG	1	0.950	0.960	3.246	-4.238	-3.426	0.080	-0.203	-0.688	-0.001
6	A	9	SER	0	0.028	0.007	7.294	-0.176	-0.176	0.000	0.000	0.000	0.000
7	A	10	VAL	0	0.013	0.015	9.184	-0.130	-0.130	0.000	0.000	0.000	0.000
8	A	11	ALA	0	-0.013	-0.001	10.910	-0.119	-0.119	0.000	0.000	0.000	0.000
9	A	12	ASN	0	-0.038	-0.001	11.136	-0.078	-0.078	0.000	0.000	0.000	0.000
10	A	13	ARG	1	0.979	0.972	14.207	-0.529	-0.529	0.000	0.000	0.000	0.000
11	A	14	PHE	0	0.017	0.003	16.146	-0.041	-0.041	0.000	0.000	0.000	0.000
12	A	15	LEU	0	0.086	0.029	19.036	-0.022	-0.022	0.000	0.000	0.000	0.000
13	A	16	VAL	0	0.016	0.030	14.130	-0.031	-0.031	0.000	0.000	0.000	0.000
14	A	17	LEU	0	-0.006	-0.001	17.529	-0.031	-0.031	0.000	0.000	0.000	0.000
15	A	18	MET	0	0.018	-0.005	20.308	-0.019	-0.019	0.000	0.000	0.000	0.000
16	A	19	GLY	0	-0.013	0.005	20.003	-0.018	-0.018	0.000	0.000	0.000	0.000
17	A	20	ALA	0	0.023	-0.005	19.283	-0.020	-0.020	0.000	0.000	0.000	0.000
18	A	21	LEU	0	-0.021	0.007	21.234	-0.016	-0.016	0.000	0.000	0.000	0.000
19	A	22	PHE	0	0.001	-0.013	24.525	-0.013	-0.013	0.000	0.000	0.000	0.000
20	A	23	LEU	0	0.034	0.019	19.871	-0.011	-0.011	0.000	0.000	0.000	0.000
21	A	24	SER	0	0.021	0.014	23.925	-0.014	-0.014	0.000	0.000	0.000	0.000
22	A	25	ILE	0	-0.030	-0.004	25.667	-0.010	-0.010	0.000	0.000	0.000	0.000
23	A	26	TRP	0	-0.035	-0.008	25.350	-0.005	-0.005	0.000	0.000	0.000	0.000
24	A	27	GLY	0	-0.006	-0.037	26.397	-0.007	-0.007	0.000	0.000	0.000	0.000
25	A	28	THR	0	-0.014	-0.026	27.292	-0.009	-0.009	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.008	0.002	30.347	-0.004	-0.004	0.000	0.000	0.000	0.000
27	A	30	THR	0	0.048	0.019	28.709	-0.003	-0.003	0.000	0.000	0.000	0.000
28	A	31	ILE	0	-0.018	0.025	30.314	-0.004	-0.004	0.000	0.000	0.000	0.000
29	A	32	ILE	0	-0.043	-0.019	32.234	-0.004	-0.004	0.000	0.000	0.000	0.000
30	A	33	ASN	0	-0.095	-0.046	34.835	-0.004	-0.004	0.000	0.000	0.000	0.000
31	A	34	THR	0	-0.026	-0.019	32.951	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	35	PRO	0	0.017	0.011	35.446	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	36	VAL	0	0.042	0.006	36.899	-0.001	-0.001	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.799	-0.907	38.983	-0.014	-0.014	0.000	0.000	0.000	0.000
35	A	38	ALA	0	-0.017	-0.006	39.495	-0.001	-0.001	0.000	0.000	0.000	0.000
36	A	39	LEU	0	-0.048	-0.038	38.783	-0.003	-0.003	0.000	0.000	0.000	0.000
37	A	40	PRO	0	-0.029	-0.002	35.403	0.003	0.003	0.000	0.000	0.000	0.000
38	A	41	ASP	-1	-0.795	-0.876	37.856	-0.029	-0.029	0.000	0.000	0.000	0.000
39	A	42	LEU	0	0.009	-0.008	39.000	-0.003	-0.003	0.000	0.000	0.000	0.000
40	A	43	SER	0	-0.098	-0.059	40.610	-0.003	-0.003	0.000	0.000	0.000	0.000
41	A	44	ASP	-1	-0.788	-0.881	42.060	-0.045	-0.045	0.000	0.000	0.000	0.000
42	A	45	VAL	0	-0.005	0.005	41.665	0.003	0.003	0.000	0.000	0.000	0.000
43	A	46	GLN	0	0.020	-0.005	44.389	-0.002	-0.002	0.000	0.000	0.000	0.000
44	A	47	VAL	0	-0.031	-0.004	48.173	0.002	0.002	0.000	0.000	0.000	0.000
45	A	48	ILE	0	-0.028	-0.011	50.803	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	49	ILE	0	0.021	0.016	54.400	0.001	0.001	0.000	0.000	0.000	0.000
47	A	50	LYS	1	0.860	0.929	57.426	0.014	0.014	0.000	0.000	0.000	0.000
48	A	51	THR	0	0.023	0.012	60.853	0.001	0.001	0.000	0.000	0.000	0.000
49	A	52	SER	0	-0.024	-0.001	64.010	0.000	0.000	0.000	0.000	0.000	0.000
50	A	53	TYR	0	0.021	-0.007	67.501	0.001	0.001	0.000	0.000	0.000	0.000
51	A	54	PRO	0	0.076	0.033	70.326	0.000	0.000	0.000	0.000	0.000	0.000
52	A	55	GLY	0	-0.010	-0.008	73.224	0.000	0.000	0.000	0.000	0.000	0.000
53	A	56	GLN	0	-0.038	-0.006	72.498	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	57	ALA	0	0.025	0.005	72.872	0.000	0.000	0.000	0.000	0.000	0.000
55	A	58	PRO	0	0.062	0.027	69.483	0.000	0.000	0.000	0.000	0.000	0.000
56	A	59	GLN	0	0.016	0.001	69.146	0.000	0.000	0.000	0.000	0.000	0.000
57	A	60	ILE	0	-0.014	0.003	70.441	0.000	0.000	0.000	0.000	0.000	0.000
58	A	61	VAL	0	-0.014	0.000	66.519	0.000	0.000	0.000	0.000	0.000	0.000
59	A	62	GLU	-1	-0.785	-0.855	63.332	-0.025	-0.025	0.000	0.000	0.000	0.000
60	A	63	ASN	0	-0.028	-0.017	65.756	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	64	GLN	0	-0.056	-0.031	67.517	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	65	VAL	0	0.025	0.003	64.235	0.001	0.001	0.000	0.000	0.000	0.000
63	A	66	THR	0	0.036	0.008	61.267	0.000	0.000	0.000	0.000	0.000	0.000
64	A	67	TYR	0	-0.014	0.018	61.217	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	68	PRO	0	-0.023	-0.004	61.149	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	69	LEU	0	0.031	0.014	59.232	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	70	THR	0	-0.008	-0.018	56.795	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	71	THR	0	-0.045	-0.031	55.898	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	72	THR	0	-0.037	-0.009	55.942	-0.001	-0.001	0.000	0.000	0.000	0.000
70	A	73	MET	0	-0.027	-0.009	53.254	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	74	LEU	0	-0.009	-0.004	51.628	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	75	SER	0	-0.055	-0.004	50.524	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	76	VAL	0	-0.006	0.005	48.098	0.001	0.001	0.000	0.000	0.000	0.000
74	A	77	PRO	0	-0.040	-0.036	44.937	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	78	GLY	0	0.064	0.037	43.124	0.002	0.002	0.000	0.000	0.000	0.000
76	A	79	ALA	0	-0.061	-0.014	43.982	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	80	LYS	1	0.833	0.925	42.323	0.045	0.045	0.000	0.000	0.000	0.000
78	A	81	THR	0	-0.011	-0.019	46.059	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	82	VAL	0	-0.014	-0.011	49.483	0.001	0.001	0.000	0.000	0.000	0.000
80	A	83	ARG	1	0.851	0.931	49.120	0.035	0.035	0.000	0.000	0.000	0.000
81	A	84	GLY	0	0.009	0.002	55.426	0.001	0.001	0.000	0.000	0.000	0.000
82	A	85	PHE	0	0.012	-0.007	56.809	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	86	SER	0	0.029	0.003	61.719	0.001	0.001	0.000	0.000	0.000	0.000
84	A	87	GLN	0	0.021	-0.007	65.086	-0.001	-0.001	0.000	0.000	0.000	0.000
85	A	88	PHE	0	-0.020	-0.024	67.742	0.000	0.000	0.000	0.000	0.000	0.000
86	A	89	GLY	0	0.031	0.026	70.779	0.001	0.001	0.000	0.000	0.000	0.000
87	A	90	ASP	-1	-0.825	-0.905	65.861	-0.015	-0.015	0.000	0.000	0.000	0.000
88	A	91	SER	0	-0.042	-0.021	63.057	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	92	TYR	0	0.010	-0.019	59.209	0.001	0.001	0.000	0.000	0.000	0.000
90	A	93	VAL	0	0.004	0.004	55.709	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	94	TYR	0	-0.018	-0.018	52.915	0.001	0.001	0.000	0.000	0.000	0.000
92	A	95	VAL	0	0.024	0.010	49.367	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	96	ILE	0	-0.011	-0.001	45.727	0.001	0.001	0.000	0.000	0.000	0.000
94	A	97	PHE	0	0.025	0.006	43.456	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	98	GLU	-1	-0.917	-0.963	39.762	-0.053	-0.053	0.000	0.000	0.000	0.000
96	A	99	ASP	-1	-0.836	-0.926	36.694	-0.052	-0.052	0.000	0.000	0.000	0.000
97	A	100	GLY	0	-0.018	-0.011	35.781	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	101	THR	0	-0.060	-0.024	36.519	0.002	0.002	0.000	0.000	0.000	0.000
99	A	102	ASP	-1	-0.823	-0.930	38.736	-0.020	-0.020	0.000	0.000	0.000	0.000
100	A	103	PRO	0	0.039	0.013	40.064	0.000	0.000	0.000	0.000	0.000	0.000
101	A	104	TYR	0	-0.031	-0.024	42.566	0.001	0.001	0.000	0.000	0.000	0.000
102	A	105	TRP	0	0.031	0.033	42.040	0.002	0.002	0.000	0.000	0.000	0.000
103	A	106	ALA	0	0.014	0.008	43.992	0.000	0.000	0.000	0.000	0.000	0.000
104	A	107	ARG	1	0.861	0.929	45.944	0.017	0.017	0.000	0.000	0.000	0.000
105	A	108	SER	0	-0.052	-0.040	47.079	0.001	0.001	0.000	0.000	0.000	0.000
106	A	109	ARG	1	0.816	0.917	45.159	0.024	0.024	0.000	0.000	0.000	0.000
107	A	110	VAL	0	0.018	-0.008	49.057	0.000	0.000	0.000	0.000	0.000	0.000
108	A	111	LEU	0	0.000	0.004	51.793	0.001	0.001	0.000	0.000	0.000	0.000
109	A	112	GLU	-1	-0.848	-0.914	50.102	-0.021	-0.021	0.000	0.000	0.000	0.000
110	A	113	TYR	0	0.014	-0.014	50.647	0.000	0.000	0.000	0.000	0.000	0.000
111	A	114	LEU	0	-0.023	-0.007	54.982	0.000	0.000	0.000	0.000	0.000	0.000
112	A	115	ASN	0	-0.031	-0.008	57.184	0.001	0.001	0.000	0.000	0.000	0.000
113	A	116	GLN	0	-0.038	-0.003	55.454	0.000	0.000	0.000	0.000	0.000	0.000
114	A	117	VAL	0	-0.030	-0.029	59.353	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	118	GLN	0	0.026	0.017	61.165	0.000	0.000	0.000	0.000	0.000	0.000
116	A	119	GLY	0	0.025	0.023	63.523	0.000	0.000	0.000	0.000	0.000	0.000
117	A	120	LYS	1	0.859	0.937	61.353	0.022	0.022	0.000	0.000	0.000	0.000
118	A	121	LEU	0	0.019	0.026	63.297	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	122	PRO	0	-0.035	-0.025	67.224	0.001	0.001	0.000	0.000	0.000	0.000
120	A	123	ALA	0	0.012	0.001	70.024	0.000	0.000	0.000	0.000	0.000	0.000
121	A	124	GLY	0	-0.023	-0.007	71.389	0.000	0.000	0.000	0.000	0.000	0.000
122	A	125	VAL	0	-0.046	-0.014	67.050	0.000	0.000	0.000	0.000	0.000	0.000
123	A	126	SER	0	0.063	0.032	64.999	0.000	0.000	0.000	0.000	0.000	0.000
124	A	127	ALA	0	-0.072	-0.037	60.558	0.000	0.000	0.000	0.000	0.000	0.000
125	A	128	GLU	-1	-0.893	-0.939	60.477	-0.011	-0.011	0.000	0.000	0.000	0.000
126	A	129	LEU	0	-0.052	-0.033	52.933	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	130	GLY	0	0.013	-0.001	55.872	0.001	0.001	0.000	0.000	0.000	0.000
128	A	131	PRO	0	0.013	0.007	53.926	0.000	0.000	0.000	0.000	0.000	0.000
129	A	132	ASP	-1	-0.850	-0.951	48.221	-0.015	-0.015	0.000	0.000	0.000	0.000
130	A	133	ALA	0	-0.019	0.018	48.877	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	134	THR	0	0.054	0.015	48.017	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	135	GLY	0	0.080	0.036	50.874	0.001	0.001	0.000	0.000	0.000	0.000
133	A	136	VAL	0	0.018	0.002	46.244	0.001	0.001	0.000	0.000	0.000	0.000
134	A	137	GLY	0	0.012	0.011	49.051	0.001	0.001	0.000	0.000	0.000	0.000
135	A	138	TRP	0	-0.029	-0.010	50.010	0.002	0.002	0.000	0.000	0.000	0.000
136	A	139	ILE	0	-0.022	-0.013	47.959	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	140	TYR	0	0.002	-0.003	51.949	0.000	0.000	0.000	0.000	0.000	0.000
138	A	141	GLU	-1	-0.860	-0.948	54.763	-0.013	-0.013	0.000	0.000	0.000	0.000
139	A	142	TYR	0	-0.024	-0.011	58.214	0.000	0.000	0.000	0.000	0.000	0.000
140	A	143	ALA	0	0.021	0.006	61.458	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	144	LEU	0	-0.031	-0.020	65.230	0.001	0.001	0.000	0.000	0.000	0.000
142	A	145	VAL	0	-0.004	-0.010	68.040	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	146	ASP	-1	-0.694	-0.812	70.831	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	147	ARG	1	0.847	0.899	71.997	0.005	0.005	0.000	0.000	0.000	0.000
145	A	148	SER	0	-0.125	-0.078	75.573	0.000	0.000	0.000	0.000	0.000	0.000
146	A	149	GLY	0	0.002	-0.002	77.813	0.000	0.000	0.000	0.000	0.000	0.000
147	A	150	LYS	1	0.813	0.929	78.598	0.000	0.000	0.000	0.000	0.000	0.000
148	A	151	HIS	0	-0.042	-0.025	75.583	0.000	0.000	0.000	0.000	0.000	0.000
149	A	152	ASP	-1	-0.825	-0.909	76.818	-0.005	-0.005	0.000	0.000	0.000	0.000
150	A	153	LEU	0	0.011	-0.017	73.378	0.000	0.000	0.000	0.000	0.000	0.000
151	A	154	ALA	0	-0.032	-0.020	74.045	0.000	0.000	0.000	0.000	0.000	0.000
152	A	155	ASP	-1	-0.829	-0.908	74.878	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	156	LEU	0	-0.030	-0.020	71.164	0.000	0.000	0.000	0.000	0.000	0.000
154	A	157	ARG	1	0.825	0.906	67.834	0.008	0.008	0.000	0.000	0.000	0.000
155	A	158	SER	0	-0.030	-0.004	70.073	0.000	0.000	0.000	0.000	0.000	0.000
156	A	159	LEU	0	0.013	0.025	69.072	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	GLN	0	0.043	0.029	62.623	0.001	0.001	0.000	0.000	0.000	0.000
158	A	161	ASP	-1	-0.818	-0.882	66.020	-0.006	-0.006	0.000	0.000	0.000	0.000
159	A	162	TRP	0	-0.018	-0.015	66.968	0.000	0.000	0.000	0.000	0.000	0.000
160	A	163	PHE	0	-0.008	0.010	67.006	0.001	0.001	0.000	0.000	0.000	0.000
161	A	164	LEU	0	0.043	0.019	63.577	0.000	0.000	0.000	0.000	0.000	0.000
162	A	165	LYS	1	0.832	0.928	61.918	0.007	0.007	0.000	0.000	0.000	0.000
163	A	166	TYR	0	-0.053	-0.042	60.966	0.000	0.000	0.000	0.000	0.000	0.000
164	A	167	GLU	-1	-0.838	-0.889	61.219	0.004	0.004	0.000	0.000	0.000	0.000
165	A	168	LEU	0	0.013	0.009	57.860	0.001	0.001	0.000	0.000	0.000	0.000
166	A	169	LYS	1	0.958	0.985	56.350	0.005	0.005	0.000	0.000	0.000	0.000
167	A	170	THR	0	-0.012	0.000	55.711	0.000	0.000	0.000	0.000	0.000	0.000
168	A	171	ILE	0	-0.073	-0.022	51.744	0.001	0.001	0.000	0.000	0.000	0.000
169	A	172	PRO	0	0.054	0.016	48.738	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	173	ASP	-1	-0.824	-0.907	45.009	-0.002	-0.002	0.000	0.000	0.000	0.000
171	A	174	VAL	0	0.023	0.023	48.507	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	175	ALA	0	-0.099	-0.043	51.131	0.000	0.000	0.000	0.000	0.000	0.000
173	A	176	GLU	-1	-0.840	-0.907	52.860	-0.012	-0.012	0.000	0.000	0.000	0.000
174	A	177	VAL	0	0.015	0.027	56.103	0.000	0.000	0.000	0.000	0.000	0.000
175	A	178	ALA	0	-0.010	0.004	58.762	0.000	0.000	0.000	0.000	0.000	0.000
176	A	179	SER	0	-0.005	-0.040	60.987	0.000	0.000	0.000	0.000	0.000	0.000
177	A	180	VAL	0	0.005	0.004	62.719	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	181	GLY	0	0.039	0.041	65.120	0.000	0.000	0.000	0.000	0.000	0.000
179	A	182	GLY	0	0.055	0.016	68.642	0.001	0.001	0.000	0.000	0.000	0.000
180	A	183	VAL	0	-0.065	-0.028	71.641	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	184	VAL	0	0.036	0.016	71.911	0.001	0.001	0.000	0.000	0.000	0.000
182	A	185	LYS	1	0.819	0.902	74.673	0.003	0.003	0.000	0.000	0.000	0.000
183	A	186	GLU	-1	-0.800	-0.897	77.879	-0.008	-0.008	0.000	0.000	0.000	0.000
184	A	187	TYR	0	-0.036	-0.045	80.001	0.000	0.000	0.000	0.000	0.000	0.000
185	A	188	GLN	0	-0.004	-0.019	82.061	0.000	0.000	0.000	0.000	0.000	0.000
186	A	189	VAL	0	-0.011	0.001	85.004	0.000	0.000	0.000	0.000	0.000	0.000
187	A	190	VAL	0	-0.015	-0.011	88.120	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	ILE	0	-0.011	-0.016	89.922	0.000	0.000	0.000	0.000	0.000	0.000
189	A	192	ASP	-1	-0.806	-0.917	92.595	-0.006	-0.006	0.000	0.000	0.000	0.000
190	A	193	PRO	0	0.009	-0.008	94.397	0.000	0.000	0.000	0.000	0.000	0.000
191	A	194	GLN	0	-0.038	-0.036	96.689	0.000	0.000	0.000	0.000	0.000	0.000
192	A	195	ARG	1	0.892	0.951	98.691	0.005	0.005	0.000	0.000	0.000	0.000
193	A	196	LEU	0	0.018	0.021	94.118	0.000	0.000	0.000	0.000	0.000	0.000
194	A	197	ALA	0	-0.007	0.006	98.784	0.000	0.000	0.000	0.000	0.000	0.000
195	A	198	GLN	0	-0.055	-0.025	101.822	0.000	0.000	0.000	0.000	0.000	0.000
196	A	199	TYR	0	-0.037	-0.014	101.068	0.000	0.000	0.000	0.000	0.000	0.000
197	A	200	GLY	0	-0.011	-0.001	102.188	0.000	0.000	0.000	0.000	0.000	0.000
198	A	201	ILE	0	-0.065	-0.034	96.174	0.000	0.000	0.000	0.000	0.000	0.000
199	A	202	SER	0	-0.022	-0.044	95.106	0.000	0.000	0.000	0.000	0.000	0.000
200	A	203	LEU	0	0.048	0.004	89.013	0.000	0.000	0.000	0.000	0.000	0.000
201	A	204	ALA	0	0.038	0.012	89.892	0.000	0.000	0.000	0.000	0.000	0.000
202	A	205	GLU	-1	-0.824	-0.876	90.511	-0.006	-0.006	0.000	0.000	0.000	0.000
203	A	206	VAL	0	0.005	0.006	90.297	0.000	0.000	0.000	0.000	0.000	0.000
204	A	207	LYS	1	0.870	0.923	82.626	0.007	0.007	0.000	0.000	0.000	0.000
205	A	208	SER	0	-0.022	-0.018	87.179	0.000	0.000	0.000	0.000	0.000	0.000
206	A	209	ALA	0	0.003	0.007	88.719	0.000	0.000	0.000	0.000	0.000	0.000
207	A	210	LEU	0	-0.022	-0.006	84.731	0.000	0.000	0.000	0.000	0.000	0.000
208	A	211	ASP	-1	-0.856	-0.932	82.915	-0.006	-0.006	0.000	0.000	0.000	0.000
209	A	212	ALA	0	-0.081	-0.012	84.958	0.000	0.000	0.000	0.000	0.000	0.000
210	A	213	SER	0	-0.047	-0.038	86.893	0.000	0.000	0.000	0.000	0.000	0.000
211	A	214	ASN	0	0.010	-0.018	80.664	0.000	0.000	0.000	0.000	0.000	0.000
212	A	215	GLN	0	0.008	0.009	81.759	0.000	0.000	0.000	0.000	0.000	0.000
213	A	216	GLU	-1	-0.834	-0.875	81.402	0.000	0.000	0.000	0.000	0.000	0.000
214	A	217	ALA	0	-0.033	-0.017	82.452	0.000	0.000	0.000	0.000	0.000	0.000
215	A	218	GLY	0	0.004	0.004	82.674	0.000	0.000	0.000	0.000	0.000	0.000
216	A	219	GLY	0	-0.022	-0.020	83.646	0.000	0.000	0.000	0.000	0.000	0.000
217	A	220	SER	0	-0.053	-0.026	83.316	0.000	0.000	0.000	0.000	0.000	0.000
218	A	221	SER	0	-0.014	-0.042	83.147	0.000	0.000	0.000	0.000	0.000	0.000
219	A	222	ILE	0	-0.034	-0.019	85.724	0.000	0.000	0.000	0.000	0.000	0.000
220	A	223	GLU	-1	-0.910	-0.949	87.988	0.005	0.005	0.000	0.000	0.000	0.000
221	A	224	LEU	0	-0.053	-0.026	89.367	0.000	0.000	0.000	0.000	0.000	0.000
222	A	225	ALA	0	-0.027	-0.027	89.964	0.000	0.000	0.000	0.000	0.000	0.000
223	A	226	GLU	-1	-0.949	-0.965	87.908	0.007	0.007	0.000	0.000	0.000	0.000
224	A	227	ALA	0	-0.023	0.004	85.604	0.000	0.000	0.000	0.000	0.000	0.000
225	A	228	GLU	-1	-0.864	-0.917	81.374	0.004	0.004	0.000	0.000	0.000	0.000
226	A	229	TYR	0	-0.049	-0.022	84.413	0.000	0.000	0.000	0.000	0.000	0.000
227	A	230	MET	0	0.014	0.004	79.862	0.000	0.000	0.000	0.000	0.000	0.000
228	A	231	VAL	0	-0.026	0.001	84.512	0.000	0.000	0.000	0.000	0.000	0.000
229	A	232	ARG	1	0.864	0.911	81.079	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	233	ALA	0	-0.028	-0.008	85.443	0.000	0.000	0.000	0.000	0.000	0.000
231	A	234	SER	0	0.003	-0.010	85.502	0.000	0.000	0.000	0.000	0.000	0.000
232	A	235	GLY	0	0.052	0.009	86.676	0.000	0.000	0.000	0.000	0.000	0.000
233	A	236	TYR	0	-0.026	-0.006	78.464	0.000	0.000	0.000	0.000	0.000	0.000
234	A	237	LEU	0	-0.023	-0.003	84.100	0.000	0.000	0.000	0.000	0.000	0.000
235	A	238	GLN	0	-0.040	-0.019	83.369	0.000	0.000	0.000	0.000	0.000	0.000
236	A	239	THR	0	-0.049	-0.011	84.761	0.000	0.000	0.000	0.000	0.000	0.000
237	A	240	LEU	0	0.012	-0.009	87.123	0.000	0.000	0.000	0.000	0.000	0.000
238	A	241	ASP	-1	-0.823	-0.921	89.315	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	242	ASP	-1	-0.786	-0.891	88.177	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	243	PHE	0	0.000	-0.007	83.826	0.000	0.000	0.000	0.000	0.000	0.000
241	A	244	ASN	0	-0.048	-0.038	89.994	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	245	HIS	0	-0.086	-0.056	93.446	0.000	0.000	0.000	0.000	0.000	0.000
243	A	246	ILE	0	0.025	0.030	88.834	0.000	0.000	0.000	0.000	0.000	0.000
244	A	247	VAL	0	-0.024	-0.018	93.105	0.000	0.000	0.000	0.000	0.000	0.000
245	A	248	LEU	0	0.003	0.000	93.697	0.000	0.000	0.000	0.000	0.000	0.000
246	A	249	LYS	1	0.864	0.927	96.692	0.005	0.005	0.000	0.000	0.000	0.000
247	A	250	ALA	0	0.011	0.006	100.147	0.000	0.000	0.000	0.000	0.000	0.000
248	A	251	SER	0	-0.036	-0.005	102.956	0.000	0.000	0.000	0.000	0.000	0.000
249	A	252	GLU	-1	-0.889	-0.957	106.558	-0.003	-0.003	0.000	0.000	0.000	0.000
250	A	253	ASN	0	-0.056	-0.035	108.824	0.000	0.000	0.000	0.000	0.000	0.000
251	A	254	GLY	0	0.020	0.031	105.958	0.000	0.000	0.000	0.000	0.000	0.000
252	A	255	VAL	0	-0.064	-0.026	105.559	0.000	0.000	0.000	0.000	0.000	0.000
253	A	256	PRO	0	0.021	0.001	100.852	0.000	0.000	0.000	0.000	0.000	0.000
254	A	257	VAL	0	-0.052	-0.021	99.846	0.000	0.000	0.000	0.000	0.000	0.000
255	A	258	TYR	0	0.010	-0.005	96.626	0.000	0.000	0.000	0.000	0.000	0.000
256	A	259	LEU	0	0.037	0.026	90.896	0.000	0.000	0.000	0.000	0.000	0.000
257	A	260	ARG	1	0.914	0.956	94.887	0.003	0.003	0.000	0.000	0.000	0.000
258	A	261	ASP	-1	-0.876	-0.920	96.401	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	262	VAL	0	-0.021	-0.017	95.018	0.000	0.000	0.000	0.000	0.000	0.000
260	A	263	ALA	0	-0.014	-0.003	92.415	0.000	0.000	0.000	0.000	0.000	0.000
261	A	264	LYS	1	0.908	0.972	91.087	0.005	0.005	0.000	0.000	0.000	0.000
262	A	265	VAL	0	0.038	0.011	88.169	0.000	0.000	0.000	0.000	0.000	0.000
263	A	266	GLN	0	-0.057	-0.020	86.634	0.001	0.001	0.000	0.000	0.000	0.000
264	A	267	ILE	0	0.032	0.019	82.432	0.000	0.000	0.000	0.000	0.000	0.000
265	A	268	GLY	0	-0.014	0.000	82.957	0.000	0.000	0.000	0.000	0.000	0.000
266	A	269	PRO	0	-0.032	-0.018	78.442	0.000	0.000	0.000	0.000	0.000	0.000
267	A	270	GLU	-1	-0.778	-0.857	73.488	-0.009	-0.009	0.000	0.000	0.000	0.000
268	A	271	MET	0	-0.074	-0.050	73.719	0.000	0.000	0.000	0.000	0.000	0.000
269	A	272	ARG	1	0.864	0.921	72.878	0.009	0.009	0.000	0.000	0.000	0.000
270	A	273	ARG	1	0.819	0.875	68.683	0.009	0.009	0.000	0.000	0.000	0.000
271	A	274	GLY	0	0.024	0.015	67.712	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	275	ILE	0	-0.088	-0.042	68.558	0.001	0.001	0.000	0.000	0.000	0.000
273	A	276	ALA	0	0.025	0.023	66.716	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	277	GLU	-1	-0.804	-0.895	67.633	-0.010	-0.010	0.000	0.000	0.000	0.000
275	A	278	LEU	0	0.017	0.014	65.211	0.000	0.000	0.000	0.000	0.000	0.000
276	A	279	ASN	0	0.015	-0.017	65.910	0.000	0.000	0.000	0.000	0.000	0.000
277	A	280	GLY	0	0.033	0.024	68.291	0.000	0.000	0.000	0.000	0.000	0.000
278	A	281	GLU	-1	-0.951	-0.977	71.136	-0.007	-0.007	0.000	0.000	0.000	0.000
279	A	282	GLY	0	0.005	-0.002	73.092	0.001	0.001	0.000	0.000	0.000	0.000
280	A	283	GLU	-1	-0.860	-0.911	71.819	-0.009	-0.009	0.000	0.000	0.000	0.000
281	A	284	VAL	0	-0.026	-0.016	67.841	0.001	0.001	0.000	0.000	0.000	0.000
282	A	285	ALA	0	0.017	0.006	69.187	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	286	GLY	0	0.042	0.017	64.992	0.001	0.001	0.000	0.000	0.000	0.000
284	A	287	GLY	0	-0.030	-0.017	62.484	0.000	0.000	0.000	0.000	0.000	0.000
285	A	288	VAL	0	0.000	0.011	57.024	0.000	0.000	0.000	0.000	0.000	0.000
286	A	289	VAL	0	-0.001	-0.005	53.604	0.000	0.000	0.000	0.000	0.000	0.000
287	A	290	ILE	0	-0.030	-0.020	52.336	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	291	LEU	0	-0.025	-0.007	45.953	0.001	0.001	0.000	0.000	0.000	0.000
289	A	292	ARG	1	0.857	0.928	46.297	0.005	0.005	0.000	0.000	0.000	0.000
290	A	293	SER	0	0.046	-0.001	44.791	0.000	0.000	0.000	0.000	0.000	0.000
291	A	294	GLY	0	0.019	0.030	41.727	-0.001	-0.001	0.000	0.000	0.000	0.000
292	A	295	LYS	1	0.771	0.864	41.408	0.005	0.005	0.000	0.000	0.000	0.000
293	A	296	ASN	0	0.012	-0.009	40.966	0.000	0.000	0.000	0.000	0.000	0.000
294	A	297	ALA	0	0.102	0.052	43.581	0.001	0.001	0.000	0.000	0.000	0.000
295	A	298	ARG	1	0.830	0.904	43.657	0.001	0.001	0.000	0.000	0.000	0.000
296	A	299	GLU	-1	-0.922	-0.969	43.810	0.008	0.008	0.000	0.000	0.000	0.000
297	A	300	VAL	0	-0.008	-0.002	45.794	0.001	0.001	0.000	0.000	0.000	0.000
298	A	301	ILE	0	-0.047	-0.031	48.557	0.001	0.001	0.000	0.000	0.000	0.000
299	A	302	ALA	0	-0.028	-0.002	48.626	0.000	0.000	0.000	0.000	0.000	0.000
300	A	303	ALA	0	0.067	0.034	50.551	0.001	0.001	0.000	0.000	0.000	0.000
301	A	304	VAL	0	-0.020	-0.015	52.392	0.000	0.000	0.000	0.000	0.000	0.000
302	A	305	LYS	1	0.828	0.886	52.243	0.002	0.002	0.000	0.000	0.000	0.000
303	A	306	ASP	-1	-0.941	-0.958	54.049	0.009	0.009	0.000	0.000	0.000	0.000
304	A	307	LYS	1	0.819	0.887	56.041	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	308	LEU	0	-0.004	-0.015	58.199	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	GLU	-1	-0.897	-0.953	58.930	0.003	0.003	0.000	0.000	0.000	0.000
307	A	310	THR	0	-0.080	-0.030	59.662	0.001	0.001	0.000	0.000	0.000	0.000
308	A	311	LEU	0	-0.026	-0.017	62.089	0.000	0.000	0.000	0.000	0.000	0.000
309	A	312	LYS	1	0.916	0.974	62.802	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	313	SER	0	-0.045	-0.012	66.172	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	SER	0	-0.022	-0.019	67.544	0.000	0.000	0.000	0.000	0.000	0.000
312	A	315	LEU	0	-0.040	-0.002	65.900	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	316	PRO	0	0.033	0.020	70.016	0.000	0.000	0.000	0.000	0.000	0.000
314	A	317	GLU	-1	-0.903	-0.964	72.744	0.002	0.002	0.000	0.000	0.000	0.000
315	A	318	GLY	0	-0.024	-0.017	73.844	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	VAL	0	-0.028	-0.006	69.350	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	320	GLU	-1	-0.945	-0.968	66.932	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	321	ILE	0	-0.025	-0.016	62.447	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	322	VAL	0	0.012	0.019	63.528	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	THR	0	-0.067	-0.038	57.939	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	324	THR	0	-0.004	-0.040	59.943	0.000	0.000	0.000	0.000	0.000	0.000
322	A	325	TYR	0	0.017	0.019	50.784	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	326	ASP	-1	-0.693	-0.802	52.286	-0.004	-0.004	0.000	0.000	0.000	0.000
324	A	327	ARG	1	0.894	0.961	46.688	0.018	0.018	0.000	0.000	0.000	0.000
325	A	328	SER	0	-0.042	-0.066	47.611	0.000	0.000	0.000	0.000	0.000	0.000
326	A	329	GLN	0	0.010	0.004	47.454	0.000	0.000	0.000	0.000	0.000	0.000
327	A	330	LEU	0	-0.027	-0.008	45.273	0.000	0.000	0.000	0.000	0.000	0.000
328	A	331	ILE	0	-0.031	-0.008	42.172	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	332	ASP	-1	-0.785	-0.874	42.705	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	333	ARG	1	0.959	0.970	43.398	0.015	0.015	0.000	0.000	0.000	0.000
331	A	334	ALA	0	-0.038	-0.024	41.015	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	335	ILE	0	-0.036	-0.019	36.529	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	336	ASP	-1	-0.869	-0.918	38.525	0.000	0.000	0.000	0.000	0.000	0.000
334	A	337	ASN	0	-0.091	-0.049	39.815	0.001	0.001	0.000	0.000	0.000	0.000
335	A	338	LEU	0	-0.021	-0.015	33.672	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	339	SER	0	-0.032	-0.011	34.818	0.001	0.001	0.000	0.000	0.000	0.000
337	A	340	GLY	0	0.004	0.004	35.161	0.001	0.001	0.000	0.000	0.000	0.000
338	A	341	LYS	1	0.862	0.904	34.284	0.022	0.022	0.000	0.000	0.000	0.000
339	A	342	LEU	0	0.016	0.027	29.302	0.000	0.000	0.000	0.000	0.000	0.000
340	A	343	LEU	0	-0.051	-0.019	31.335	0.002	0.002	0.000	0.000	0.000	0.000
341	A	344	GLU	-1	-0.828	-0.907	33.274	-0.016	-0.016	0.000	0.000	0.000	0.000
342	A	345	GLU	-1	-0.819	-0.930	29.750	-0.031	-0.031	0.000	0.000	0.000	0.000
343	A	346	PHE	0	-0.058	-0.019	26.822	0.001	0.001	0.000	0.000	0.000	0.000
344	A	347	ILE	0	-0.010	-0.013	29.448	0.003	0.003	0.000	0.000	0.000	0.000
345	A	348	VAL	0	-0.006	0.002	31.448	0.001	0.001	0.000	0.000	0.000	0.000
346	A	349	VAL	0	0.014	-0.001	25.366	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	350	ALA	0	-0.016	-0.005	27.504	0.000	0.000	0.000	0.000	0.000	0.000
348	A	351	VAL	0	0.014	-0.003	28.540	0.003	0.003	0.000	0.000	0.000	0.000
349	A	352	VAL	0	0.021	0.013	27.769	0.000	0.000	0.000	0.000	0.000	0.000
350	A	353	CYS	0	-0.077	-0.039	24.113	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	354	ALA	0	0.001	-0.004	25.676	0.008	0.008	0.000	0.000	0.000	0.000
352	A	355	LEU	0	-0.047	-0.015	28.371	0.003	0.003	0.000	0.000	0.000	0.000
353	A	356	PHE	0	-0.043	-0.014	25.902	-0.006	-0.006	0.000	0.000	0.000	0.000
354	A	357	LEU	0	-0.010	-0.011	21.260	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	358	TRP	0	0.034	0.021	25.796	0.004	0.004	0.000	0.000	0.000	0.000
356	A	359	HIS	0	-0.002	0.023	24.705	0.015	0.015	0.000	0.000	0.000	0.000
357	A	360	VAL	0	0.124	0.038	26.637	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	361	ARG	1	0.912	0.949	24.640	-0.128	-0.128	0.000	0.000	0.000	0.000
359	A	362	SER	0	0.003	-0.006	22.086	0.014	0.014	0.000	0.000	0.000	0.000
360	A	363	ALA	0	0.030	0.023	22.358	-0.004	-0.004	0.000	0.000	0.000	0.000
361	A	364	LEU	0	-0.010	-0.024	24.606	-0.004	-0.004	0.000	0.000	0.000	0.000
362	A	365	VAL	0	-0.042	-0.007	18.041	0.007	0.007	0.000	0.000	0.000	0.000
363	A	366	ALA	0	-0.013	-0.006	20.302	0.001	0.001	0.000	0.000	0.000	0.000
364	A	367	ILE	0	0.038	0.026	21.264	-0.008	-0.008	0.000	0.000	0.000	0.000
365	A	368	ILE	0	-0.035	-0.019	21.545	-0.003	-0.003	0.000	0.000	0.000	0.000
366	A	369	SER	0	0.006	-0.005	18.760	0.008	0.008	0.000	0.000	0.000	0.000
367	A	370	LEU	0	-0.023	-0.001	20.517	-0.008	-0.008	0.000	0.000	0.000	0.000
368	A	371	PRO	0	0.033	0.029	23.362	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	372	LEU	0	0.022	0.008	20.188	0.003	0.003	0.000	0.000	0.000	0.000
370	A	373	GLY	0	0.015	0.005	20.421	0.001	0.001	0.000	0.000	0.000	0.000
371	A	374	LEU	0	0.013	-0.002	21.347	-0.006	-0.006	0.000	0.000	0.000	0.000
372	A	375	CYS	0	-0.042	0.010	23.633	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	376	ILE	0	0.003	0.002	18.051	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	377	ALA	0	0.036	0.018	22.132	-0.004	-0.004	0.000	0.000	0.000	0.000
375	A	378	PHE	0	0.071	0.011	23.843	-0.005	-0.005	0.000	0.000	0.000	0.000
376	A	379	ILE	0	-0.048	-0.013	24.113	0.000	0.000	0.000	0.000	0.000	0.000
377	A	380	VAL	0	-0.033	-0.011	21.459	0.000	0.000	0.000	0.000	0.000	0.000
378	A	381	MET	0	-0.023	-0.012	24.801	-0.007	-0.007	0.000	0.000	0.000	0.000
379	A	382	HIS	0	0.032	0.032	28.089	-0.004	-0.004	0.000	0.000	0.000	0.000
380	A	383	PHE	0	-0.049	-0.031	24.808	0.002	0.002	0.000	0.000	0.000	0.000
381	A	384	GLN	0	-0.063	-0.002	25.941	-0.007	-0.007	0.000	0.000	0.000	0.000
382	A	385	GLY	0	0.032	0.009	28.455	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	386	LEU	0	-0.091	-0.041	28.516	-0.003	-0.003	0.000	0.000	0.000	0.000
384	A	387	ASN	0	0.027	0.030	32.011	0.003	0.003	0.000	0.000	0.000	0.000
385	A	388	ALA	0	0.033	0.021	33.570	-0.004	-0.004	0.000	0.000	0.000	0.000
386	A	389	ASN	0	0.088	0.028	34.369	-0.003	-0.003	0.000	0.000	0.000	0.000
387	A	390	ILE	0	0.044	0.021	34.539	-0.002	-0.002	0.000	0.000	0.000	0.000
388	A	391	MET	0	-0.002	0.014	33.803	-0.004	-0.004	0.000	0.000	0.000	0.000
389	A	392	SER	0	-0.032	-0.021	30.698	-0.004	-0.004	0.000	0.000	0.000	0.000
390	A	393	LEU	0	0.028	0.012	29.765	0.000	0.000	0.000	0.000	0.000	0.000
391	A	394	GLY	0	0.071	0.017	30.535	0.000	0.000	0.000	0.000	0.000	0.000
392	A	395	GLY	0	-0.021	-0.012	28.164	-0.006	-0.006	0.000	0.000	0.000	0.000
393	A	396	ILE	0	-0.033	-0.036	25.471	-0.005	-0.005	0.000	0.000	0.000	0.000
394	A	397	ALA	0	-0.012	-0.004	26.661	0.000	0.000	0.000	0.000	0.000	0.000
395	A	398	ILE	0	-0.043	-0.012	26.522	-0.004	-0.004	0.000	0.000	0.000	0.000
396	A	399	ALA	0	-0.024	-0.017	22.754	-0.008	-0.008	0.000	0.000	0.000	0.000
397	A	400	VAL	0	0.069	0.020	22.909	-0.005	-0.005	0.000	0.000	0.000	0.000
398	A	401	GLY	0	0.010	0.007	23.666	0.003	0.003	0.000	0.000	0.000	0.000
399	A	402	ALA	0	-0.007	-0.024	19.834	-0.009	-0.009	0.000	0.000	0.000	0.000
400	A	403	MET	0	-0.036	0.004	18.524	-0.008	-0.008	0.000	0.000	0.000	0.000
401	A	404	VAL	0	0.009	0.002	18.375	0.005	0.005	0.000	0.000	0.000	0.000
402	A	405	ASP	-1	-0.815	-0.906	19.292	-0.141	-0.141	0.000	0.000	0.000	0.000
403	A	406	ALA	0	-0.002	0.008	14.374	-0.020	-0.020	0.000	0.000	0.000	0.000
404	A	407	ALA	0	-0.012	-0.010	14.779	-0.008	-0.008	0.000	0.000	0.000	0.000
405	A	408	ILE	0	0.013	0.009	16.208	0.012	0.012	0.000	0.000	0.000	0.000
406	A	409	VAL	0	0.030	0.026	15.764	0.007	0.007	0.000	0.000	0.000	0.000
407	A	410	MET	0	-0.028	-0.003	9.561	0.010	0.010	0.000	0.000	0.000	0.000
408	A	411	ILE	0	0.023	-0.024	14.017	0.035	0.035	0.000	0.000	0.000	0.000
409	A	412	GLU	-1	-0.817	-0.899	16.733	-0.026	-0.026	0.000	0.000	0.000	0.000
410	A	413	ASN	0	-0.022	-0.009	13.868	0.032	0.032	0.000	0.000	0.000	0.000
411	A	414	ALA	0	0.042	-0.002	14.904	0.021	0.021	0.000	0.000	0.000	0.000
412	A	415	HIS	0	-0.030	-0.009	16.350	0.027	0.027	0.000	0.000	0.000	0.000
413	A	416	LYS	1	0.903	0.972	19.426	0.007	0.007	0.000	0.000	0.000	0.000
414	A	417	ARG	1	0.835	0.888	14.563	-0.003	-0.003	0.000	0.000	0.000	0.000
415	A	418	LEU	0	-0.004	-0.017	18.057	0.033	0.033	0.000	0.000	0.000	0.000
416	A	419	GLU	-1	-0.908	-0.947	20.215	0.044	0.044	0.000	0.000	0.000	0.000
417	A	420	GLU	-1	-0.897	-0.925	18.225	0.010	0.010	0.000	0.000	0.000	0.000
418	A	421	TRP	0	0.020	-0.002	16.841	0.018	0.018	0.000	0.000	0.000	0.000
419	A	422	GLN	0	-0.031	-0.037	22.084	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	423	HIS	0	-0.033	-0.002	25.217	-0.011	-0.011	0.000	0.000	0.000	0.000
421	A	424	GLN	0	-0.072	-0.026	21.330	0.012	0.012	0.000	0.000	0.000	0.000
422	A	425	HIS	0	-0.062	-0.023	21.674	0.019	0.019	0.000	0.000	0.000	0.000
423	A	426	PRO	0	-0.018	-0.007	26.604	-0.008	-0.008	0.000	0.000	0.000	0.000
424	A	427	ASP	-1	-0.796	-0.890	27.781	0.083	0.083	0.000	0.000	0.000	0.000
425	A	428	ALA	0	-0.056	-0.028	29.714	0.001	0.001	0.000	0.000	0.000	0.000
426	A	429	THR	0	-0.036	-0.021	28.095	0.001	0.001	0.000	0.000	0.000	0.000
427	A	430	LEU	0	0.005	-0.003	24.143	0.009	0.009	0.000	0.000	0.000	0.000
428	A	431	ASP	-1	-0.737	-0.861	23.062	0.292	0.292	0.000	0.000	0.000	0.000
429	A	432	ASN	0	-0.112	-0.086	21.722	0.025	0.025	0.000	0.000	0.000	0.000
430	A	433	LYS	1	0.948	0.974	15.569	-0.614	-0.614	0.000	0.000	0.000	0.000
431	A	434	THR	0	-0.010	-0.005	18.016	0.047	0.047	0.000	0.000	0.000	0.000
432	A	435	ARG	1	0.927	0.984	19.200	-0.257	-0.257	0.000	0.000	0.000	0.000
433	A	436	TRP	0	-0.020	-0.012	12.636	-0.035	-0.035	0.000	0.000	0.000	0.000
434	A	437	GLN	0	-0.100	-0.064	11.463	0.087	0.087	0.000	0.000	0.000	0.000
435	A	438	VAL	0	0.046	0.035	13.420	0.031	0.031	0.000	0.000	0.000	0.000
436	A	439	ILE	0	0.014	0.016	13.498	-0.037	-0.037	0.000	0.000	0.000	0.000
437	A	440	THR	0	-0.019	-0.020	8.460	-0.030	-0.030	0.000	0.000	0.000	0.000
438	A	441	ASP	-1	-0.830	-0.919	8.905	0.892	0.892	0.000	0.000	0.000	0.000
439	A	442	ALA	0	-0.026	0.002	10.943	-0.133	-0.133	0.000	0.000	0.000	0.000
440	A	443	SER	0	-0.042	-0.025	7.536	-0.123	-0.123	0.000	0.000	0.000	0.000
441	A	444	VAL	0	-0.091	-0.033	6.373	-0.191	-0.191	0.000	0.000	0.000	0.000
442	A	445	GLU	-1	-0.878	-0.926	7.084	-1.318	-1.318	0.000	0.000	0.000	0.000
443	A	446	VAL	0	0.052	0.020	8.966	-0.265	-0.265	0.000	0.000	0.000	0.000
444	A	447	GLY	0	0.009	0.017	6.626	0.027	0.027	0.000	0.000	0.000	0.000
445	A	448	PRO	0	-0.062	-0.045	4.635	-0.069	0.077	-0.001	-0.005	-0.140	0.000
446	A	449	ALA	0	0.019	0.007	7.288	0.202	0.202	0.000	0.000	0.000	0.000
447	A	450	LEU	0	0.085	0.050	10.712	0.068	0.068	0.000	0.000	0.000	0.000
448	A	451	PHE	0	-0.020	0.006	7.508	0.076	0.076	0.000	0.000	0.000	0.000
449	A	452	ILE	0	-0.005	-0.022	7.423	0.083	0.083	0.000	0.000	0.000	0.000
450	A	453	SER	0	-0.019	-0.031	10.661	-0.002	-0.002	0.000	0.000	0.000	0.000
451	A	454	LEU	0	0.029	0.008	12.613	0.034	0.034	0.000	0.000	0.000	0.000
452	A	455	LEU	0	-0.038	-0.012	10.936	0.018	0.018	0.000	0.000	0.000	0.000
453	A	456	ILE	0	0.037	0.011	13.542	-0.003	-0.003	0.000	0.000	0.000	0.000
454	A	457	ILE	0	-0.007	0.019	16.216	0.016	0.016	0.000	0.000	0.000	0.000
455	A	458	THR	0	-0.047	-0.019	16.021	0.017	0.017	0.000	0.000	0.000	0.000
456	A	459	LEU	0	0.024	0.012	14.394	0.007	0.007	0.000	0.000	0.000	0.000
457	A	460	SER	0	-0.112	-0.065	18.434	0.008	0.008	0.000	0.000	0.000	0.000
458	A	461	PHE	0	0.068	0.004	21.059	0.008	0.008	0.000	0.000	0.000	0.000
459	A	462	ILE	0	0.044	0.033	18.582	0.010	0.010	0.000	0.000	0.000	0.000
460	A	463	PRO	0	0.003	-0.005	22.239	0.011	0.011	0.000	0.000	0.000	0.000
461	A	464	ILE	0	0.055	0.025	25.318	0.006	0.006	0.000	0.000	0.000	0.000
462	A	465	PHE	0	-0.038	-0.028	22.934	0.007	0.007	0.000	0.000	0.000	0.000
463	A	466	THR	0	-0.092	-0.049	26.950	0.005	0.005	0.000	0.000	0.000	0.000
464	A	467	LEU	0	-0.027	-0.012	29.444	0.003	0.003	0.000	0.000	0.000	0.000
465	A	468	GLU	-1	-0.784	-0.882	32.661	-0.082	-0.082	0.000	0.000	0.000	0.000
466	A	469	GLY	0	0.033	0.024	35.207	0.001	0.001	0.000	0.000	0.000	0.000
467	A	470	GLN	0	0.025	0.010	37.178	0.000	0.000	0.000	0.000	0.000	0.000
468	A	471	GLU	-1	-0.790	-0.885	36.310	-0.062	-0.062	0.000	0.000	0.000	0.000
469	A	472	GLY	0	0.006	0.001	33.322	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	473	ARG	1	0.746	0.857	33.086	0.045	0.045	0.000	0.000	0.000	0.000
471	A	474	LEU	0	-0.026	0.004	35.367	0.003	0.003	0.000	0.000	0.000	0.000
472	A	475	PHE	0	0.018	-0.021	31.996	0.002	0.002	0.000	0.000	0.000	0.000
473	A	476	GLY	0	0.074	0.054	30.265	-0.005	-0.005	0.000	0.000	0.000	0.000
474	A	477	PRO	0	0.005	-0.026	29.106	-0.002	-0.002	0.000	0.000	0.000	0.000
475	A	478	LEU	0	0.009	0.024	28.554	0.001	0.001	0.000	0.000	0.000	0.000
476	A	479	ALA	0	0.011	0.001	26.279	-0.002	-0.002	0.000	0.000	0.000	0.000
477	A	480	PHE	0	0.012	0.017	24.561	-0.003	-0.003	0.000	0.000	0.000	0.000
478	A	481	THR	0	-0.004	-0.013	23.848	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	482	LYS	1	0.860	0.963	21.870	0.124	0.124	0.000	0.000	0.000	0.000
480	A	483	THR	0	-0.064	-0.052	19.624	-0.012	-0.012	0.000	0.000	0.000	0.000
481	A	484	TYR	0	-0.023	-0.041	19.318	0.000	0.000	0.000	0.000	0.000	0.000
482	A	485	ALA	0	0.038	0.027	19.584	0.012	0.012	0.000	0.000	0.000	0.000
483	A	486	MET	0	-0.029	-0.003	17.362	0.004	0.004	0.000	0.000	0.000	0.000
484	A	487	ALA	0	0.019	0.008	15.107	0.006	0.006	0.000	0.000	0.000	0.000
485	A	488	GLY	0	0.023	0.009	14.758	0.021	0.021	0.000	0.000	0.000	0.000
486	A	489	ALA	0	0.027	0.005	15.655	0.021	0.021	0.000	0.000	0.000	0.000
487	A	490	ALA	0	-0.029	-0.014	11.974	0.003	0.003	0.000	0.000	0.000	0.000
488	A	491	LEU	0	-0.062	-0.029	10.411	0.013	0.013	0.000	0.000	0.000	0.000
489	A	492	LEU	0	0.060	0.021	12.085	0.048	0.048	0.000	0.000	0.000	0.000
490	A	493	ALA	0	0.007	0.006	12.099	0.043	0.043	0.000	0.000	0.000	0.000
491	A	494	ILE	0	-0.025	-0.016	4.880	-0.019	-0.019	0.000	0.000	0.000	0.000
492	A	495	VAL	0	-0.046	-0.009	9.131	0.108	0.108	0.000	0.000	0.000	0.000
493	A	496	VAL	0	0.028	0.014	11.817	0.044	0.044	0.000	0.000	0.000	0.000
494	A	497	ILE	0	0.009	0.031	13.724	0.021	0.021	0.000	0.000	0.000	0.000
495	A	498	PRO	0	0.053	0.002	9.730	0.006	0.006	0.000	0.000	0.000	0.000
496	A	499	ILE	0	-0.052	-0.016	12.521	0.038	0.038	0.000	0.000	0.000	0.000
497	A	500	LEU	0	0.022	-0.006	14.662	-0.006	-0.006	0.000	0.000	0.000	0.000
498	A	501	MET	0	-0.020	0.014	14.512	-0.023	-0.023	0.000	0.000	0.000	0.000
499	A	502	GLY	0	0.002	0.021	16.578	-0.006	-0.006	0.000	0.000	0.000	0.000
500	A	503	TYR	0	-0.101	-0.047	17.424	0.006	0.006	0.000	0.000	0.000	0.000
501	A	504	TRP	0	-0.021	-0.006	20.130	-0.013	-0.013	0.000	0.000	0.000	0.000
502	A	517	LEU	0	0.092	0.028	33.067	0.000	0.000	0.000	0.000	0.000	0.000
503	A	518	ASN	0	0.074	0.035	28.311	0.001	0.001	0.000	0.000	0.000	0.000
504	A	519	ARG	1	0.991	0.992	31.127	0.022	0.022	0.000	0.000	0.000	0.000
505	A	520	PHE	0	0.002	-0.030	33.224	-0.005	-0.005	0.000	0.000	0.000	0.000
506	A	521	LEU	0	0.057	0.055	30.117	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	522	ILE	0	-0.007	0.003	28.305	-0.007	-0.007	0.000	0.000	0.000	0.000
508	A	523	ARG	1	0.907	0.950	32.386	0.046	0.046	0.000	0.000	0.000	0.000
509	A	524	VAL	0	0.016	0.014	35.603	0.000	0.000	0.000	0.000	0.000	0.000
510	A	525	TYR	0	0.036	0.028	28.493	-0.005	-0.005	0.000	0.000	0.000	0.000
511	A	526	HIS	0	0.040	-0.007	29.265	-0.012	-0.012	0.000	0.000	0.000	0.000
512	A	527	PRO	0	-0.009	0.008	33.300	-0.004	-0.004	0.000	0.000	0.000	0.000
513	A	528	LEU	0	0.050	0.015	35.497	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	529	LEU	0	-0.004	0.009	28.595	-0.006	-0.006	0.000	0.000	0.000	0.000
515	A	530	LEU	0	-0.014	-0.022	32.821	-0.006	-0.006	0.000	0.000	0.000	0.000
516	A	531	LYS	1	0.917	0.963	34.256	0.085	0.085	0.000	0.000	0.000	0.000
517	A	532	VAL	0	0.014	0.010	30.817	0.001	0.001	0.000	0.000	0.000	0.000
518	A	533	LEU	0	-0.050	-0.023	29.692	-0.009	-0.009	0.000	0.000	0.000	0.000
519	A	534	HIS	0	-0.001	0.006	33.545	0.006	0.006	0.000	0.000	0.000	0.000
520	A	535	TRP	0	0.029	0.018	36.468	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	536	PRO	0	0.090	0.048	31.924	0.003	0.003	0.000	0.000	0.000	0.000
522	A	537	LYS	1	0.962	0.998	33.106	0.162	0.162	0.000	0.000	0.000	0.000
523	A	538	THR	0	0.021	0.007	34.718	0.001	0.001	0.000	0.000	0.000	0.000
524	A	539	THR	0	-0.059	-0.049	33.364	0.003	0.003	0.000	0.000	0.000	0.000
525	A	540	LEU	0	-0.018	-0.010	29.646	-0.002	-0.002	0.000	0.000	0.000	0.000
526	A	541	LEU	0	-0.029	-0.003	33.459	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	542	VAL	0	0.028	0.000	36.985	0.003	0.003	0.000	0.000	0.000	0.000
528	A	543	ALA	0	0.012	0.011	32.712	0.004	0.004	0.000	0.000	0.000	0.000
529	A	544	ALA	0	-0.008	-0.006	34.836	0.000	0.000	0.000	0.000	0.000	0.000
530	A	545	LEU	0	0.002	-0.005	36.123	0.003	0.003	0.000	0.000	0.000	0.000
531	A	546	SER	0	0.000	0.004	35.781	0.006	0.006	0.000	0.000	0.000	0.000
532	A	547	VAL	0	0.012	0.007	34.544	0.003	0.003	0.000	0.000	0.000	0.000
533	A	548	LEU	0	-0.021	-0.014	37.325	0.004	0.004	0.000	0.000	0.000	0.000
534	A	549	THR	0	0.017	0.011	39.790	0.007	0.007	0.000	0.000	0.000	0.000
535	A	550	VAL	0	-0.035	0.005	37.620	0.005	0.005	0.000	0.000	0.000	0.000
536	A	551	LEU	0	0.023	-0.003	40.410	0.001	0.001	0.000	0.000	0.000	0.000
537	A	552	TRP	0	-0.007	0.004	43.155	0.004	0.004	0.000	0.000	0.000	0.000
538	A	553	PRO	0	0.024	0.001	41.876	0.003	0.003	0.000	0.000	0.000	0.000
539	A	554	LEU	0	0.022	0.017	39.697	0.002	0.002	0.000	0.000	0.000	0.000
540	A	555	ASN	0	-0.087	-0.030	43.734	0.000	0.000	0.000	0.000	0.000	0.000
541	A	556	LYS	1	0.863	0.939	46.447	0.062	0.062	0.000	0.000	0.000	0.000
542	A	557	VAL	0	-0.004	0.011	42.633	0.003	0.003	0.000	0.000	0.000	0.000
543	A	558	GLY	0	0.084	0.056	46.022	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	559	GLY	0	-0.047	-0.024	44.245	-0.003	-0.003	0.000	0.000	0.000	0.000
545	A	560	GLU	-1	-0.841	-0.922	43.538	-0.049	-0.049	0.000	0.000	0.000	0.000
546	A	561	PHE	0	0.010	-0.009	40.276	-0.004	-0.004	0.000	0.000	0.000	0.000
547	A	562	LEU	0	-0.012	-0.023	39.223	-0.003	-0.003	0.000	0.000	0.000	0.000
548	A	563	PRO	0	0.026	0.020	40.071	0.002	0.002	0.000	0.000	0.000	0.000
549	A	564	GLN	0	0.016	0.007	43.207	0.001	0.001	0.000	0.000	0.000	0.000
550	A	565	ILE	0	-0.036	-0.016	41.063	0.001	0.001	0.000	0.000	0.000	0.000
551	A	566	ASN	0	-0.017	-0.002	45.262	0.002	0.002	0.000	0.000	0.000	0.000
552	A	567	GLU	-1	-0.830	-0.937	47.052	-0.023	-0.023	0.000	0.000	0.000	0.000
553	A	568	GLY	0	-0.028	-0.022	49.054	0.000	0.000	0.000	0.000	0.000	0.000
554	A	569	ASP	-1	-0.833	-0.916	51.693	-0.014	-0.014	0.000	0.000	0.000	0.000
555	A	570	LEU	0	-0.029	-0.029	53.065	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	571	LEU	0	-0.010	-0.003	55.125	0.001	0.001	0.000	0.000	0.000	0.000
557	A	572	TYR	0	-0.004	-0.001	57.577	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	573	MET	0	-0.028	-0.014	56.808	0.000	0.000	0.000	0.000	0.000	0.000
559	A	574	PRO	0	0.026	0.037	61.183	-0.001	-0.001	0.000	0.000	0.000	0.000
560	A	575	SER	0	-0.010	-0.005	63.162	0.000	0.000	0.000	0.000	0.000	0.000
561	A	576	THR	0	0.000	-0.015	65.475	0.000	0.000	0.000	0.000	0.000	0.000
562	A	577	LEU	0	-0.012	0.000	68.414	0.000	0.000	0.000	0.000	0.000	0.000
563	A	578	PRO	0	0.039	0.004	69.366	0.001	0.001	0.000	0.000	0.000	0.000
564	A	579	GLY	0	-0.048	-0.005	71.058	0.001	0.001	0.000	0.000	0.000	0.000
565	A	580	ILE	0	-0.038	0.002	71.664	0.001	0.001	0.000	0.000	0.000	0.000
566	A	581	SER	0	0.036	0.015	74.043	0.000	0.000	0.000	0.000	0.000	0.000
567	A	582	ALA	0	0.080	0.029	73.710	0.000	0.000	0.000	0.000	0.000	0.000
568	A	583	ALA	0	0.001	0.002	74.730	0.000	0.000	0.000	0.000	0.000	0.000
569	A	584	GLU	-1	-0.868	-0.940	76.375	-0.014	-0.014	0.000	0.000	0.000	0.000
570	A	585	ALA	0	0.040	0.015	71.282	0.000	0.000	0.000	0.000	0.000	0.000
571	A	586	ALA	0	0.028	0.010	72.148	0.000	0.000	0.000	0.000	0.000	0.000
572	A	587	SER	0	-0.018	-0.009	73.461	0.000	0.000	0.000	0.000	0.000	0.000
573	A	588	MET	0	-0.045	-0.028	70.949	0.000	0.000	0.000	0.000	0.000	0.000
574	A	589	LEU	0	-0.001	0.016	66.892	0.000	0.000	0.000	0.000	0.000	0.000
575	A	590	GLN	0	0.016	0.007	69.890	0.000	0.000	0.000	0.000	0.000	0.000
576	A	591	LYS	1	0.808	0.911	72.175	0.014	0.014	0.000	0.000	0.000	0.000
577	A	592	THR	0	-0.013	-0.011	67.201	0.000	0.000	0.000	0.000	0.000	0.000
578	A	593	ASP	-1	-0.746	-0.890	66.593	-0.014	-0.014	0.000	0.000	0.000	0.000
579	A	594	LYS	1	0.857	0.938	68.352	0.011	0.011	0.000	0.000	0.000	0.000
580	A	595	LEU	0	-0.037	-0.007	69.578	0.000	0.000	0.000	0.000	0.000	0.000
581	A	596	ILE	0	0.026	0.027	63.328	0.000	0.000	0.000	0.000	0.000	0.000
582	A	597	MET	0	-0.031	-0.012	65.424	0.000	0.000	0.000	0.000	0.000	0.000
583	A	598	SER	0	-0.124	-0.056	67.024	0.000	0.000	0.000	0.000	0.000	0.000
584	A	599	VAL	0	0.009	0.010	63.001	0.000	0.000	0.000	0.000	0.000	0.000
585	A	600	PRO	0	-0.001	-0.005	63.853	0.001	0.001	0.000	0.000	0.000	0.000
586	A	601	GLU	-1	-0.689	-0.840	58.761	-0.015	-0.015	0.000	0.000	0.000	0.000
587	A	602	VAL	0	0.007	0.030	59.779	0.000	0.000	0.000	0.000	0.000	0.000
588	A	603	ALA	0	-0.069	-0.038	60.206	0.001	0.001	0.000	0.000	0.000	0.000
589	A	604	ARG	1	0.901	0.947	61.133	0.008	0.008	0.000	0.000	0.000	0.000
590	A	605	VAL	0	0.006	0.009	61.821	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	606	PHE	0	0.032	0.016	61.317	0.001	0.001	0.000	0.000	0.000	0.000
592	A	607	GLY	0	0.076	0.038	62.995	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	608	LYS	1	0.821	0.891	60.501	0.018	0.018	0.000	0.000	0.000	0.000
594	A	609	THR	0	0.002	0.004	65.510	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	610	GLY	0	0.011	0.008	66.984	0.001	0.001	0.000	0.000	0.000	0.000
596	A	611	LYS	1	0.771	0.905	62.259	0.014	0.014	0.000	0.000	0.000	0.000
597	A	612	ALA	0	0.002	-0.012	61.240	0.001	0.001	0.000	0.000	0.000	0.000
598	A	613	GLU	-1	-0.908	-0.960	62.905	-0.011	-0.011	0.000	0.000	0.000	0.000
599	A	614	THR	0	-0.029	-0.047	57.565	0.000	0.000	0.000	0.000	0.000	0.000
600	A	615	ALA	0	0.005	-0.010	57.333	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	616	THR	0	-0.084	-0.043	53.790	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	617	ASP	-1	-0.719	-0.850	56.279	-0.018	-0.018	0.000	0.000	0.000	0.000
603	A	618	SER	0	-0.006	0.012	59.289	0.001	0.001	0.000	0.000	0.000	0.000
604	A	619	ALA	0	0.015	0.021	61.310	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	620	PRO	0	0.039	0.014	63.116	0.001	0.001	0.000	0.000	0.000	0.000
606	A	621	LEU	0	-0.011	-0.016	66.717	0.000	0.000	0.000	0.000	0.000	0.000
607	A	622	GLU	-1	-0.966	-0.983	67.943	-0.019	-0.019	0.000	0.000	0.000	0.000
608	A	623	MET	0	-0.041	-0.016	60.818	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	624	VAL	0	0.013	-0.010	65.091	0.001	0.001	0.000	0.000	0.000	0.000
610	A	625	GLU	-1	-0.860	-0.928	57.665	-0.021	-0.021	0.000	0.000	0.000	0.000
611	A	626	THR	0	-0.022	0.003	61.594	0.001	0.001	0.000	0.000	0.000	0.000
612	A	627	THR	0	0.020	0.007	57.324	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	628	ILE	0	-0.030	-0.015	58.833	0.001	0.001	0.000	0.000	0.000	0.000
614	A	629	GLN	0	0.012	0.006	55.999	0.000	0.000	0.000	0.000	0.000	0.000
615	A	630	LEU	0	-0.003	0.000	55.021	0.000	0.000	0.000	0.000	0.000	0.000
616	A	631	LYS	1	0.816	0.902	56.359	0.011	0.011	0.000	0.000	0.000	0.000
617	A	632	PRO	0	0.036	0.025	53.888	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	633	GLN	0	0.019	0.012	49.127	0.000	0.000	0.000	0.000	0.000	0.000
619	A	634	GLU	-1	-0.934	-0.979	52.378	-0.010	-0.010	0.000	0.000	0.000	0.000
620	A	635	GLN	0	-0.068	-0.050	54.844	0.001	0.001	0.000	0.000	0.000	0.000
621	A	636	TRP	0	-0.057	-0.015	52.295	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	637	ARG	1	0.748	0.813	58.331	0.017	0.017	0.000	0.000	0.000	0.000
623	A	638	PRO	0	-0.001	-0.010	58.302	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	639	GLY	0	0.003	0.014	57.062	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	640	MET	0	-0.057	-0.008	56.649	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	641	THR	0	-0.002	-0.026	52.618	0.000	0.000	0.000	0.000	0.000	0.000
627	A	642	MET	0	0.058	0.031	51.820	0.001	0.001	0.000	0.000	0.000	0.000
628	A	643	ASP	-1	-0.812	-0.903	51.801	-0.031	-0.031	0.000	0.000	0.000	0.000
629	A	644	LYS	1	0.836	0.908	54.892	0.023	0.023	0.000	0.000	0.000	0.000
630	A	645	ILE	0	-0.007	0.010	55.909	0.001	0.001	0.000	0.000	0.000	0.000
631	A	646	ILE	0	0.027	0.003	54.648	0.001	0.001	0.000	0.000	0.000	0.000
632	A	647	GLU	-1	-0.832	-0.891	58.835	-0.027	-0.027	0.000	0.000	0.000	0.000
633	A	648	GLU	-1	-0.833	-0.880	61.053	-0.017	-0.017	0.000	0.000	0.000	0.000
634	A	649	LEU	0	0.006	0.005	60.033	0.001	0.001	0.000	0.000	0.000	0.000
635	A	650	ASP	-1	-0.774	-0.862	61.813	-0.025	-0.025	0.000	0.000	0.000	0.000
636	A	651	ASN	0	-0.037	-0.010	63.862	0.000	0.000	0.000	0.000	0.000	0.000
637	A	652	THR	0	-0.061	-0.032	66.424	0.001	0.001	0.000	0.000	0.000	0.000
638	A	653	VAL	0	-0.067	-0.036	65.766	0.001	0.001	0.000	0.000	0.000	0.000
639	A	654	ARG	1	0.895	0.942	66.039	0.022	0.022	0.000	0.000	0.000	0.000
640	A	655	LEU	0	-0.002	0.005	69.734	0.001	0.001	0.000	0.000	0.000	0.000
641	A	656	PRO	0	0.019	-0.010	71.902	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	657	GLY	0	-0.023	-0.006	72.730	0.000	0.000	0.000	0.000	0.000	0.000
643	A	658	LEU	0	-0.038	-0.010	68.199	0.000	0.000	0.000	0.000	0.000	0.000
644	A	659	ALA	0	0.004	0.009	65.256	0.000	0.000	0.000	0.000	0.000	0.000
645	A	660	ASN	0	-0.009	-0.012	63.515	-0.001	-0.001	0.000	0.000	0.000	0.000
646	A	661	LEU	0	0.013	0.006	56.708	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	662	TRP	0	-0.012	-0.016	57.726	0.002	0.002	0.000	0.000	0.000	0.000
648	A	663	VAL	0	-0.004	0.002	53.481	-0.002	-0.002	0.000	0.000	0.000	0.000
649	A	664	PRO	0	0.027	0.031	49.618	0.002	0.002	0.000	0.000	0.000	0.000
650	A	665	PRO	0	0.042	0.022	51.336	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	666	ILE	0	-0.020	-0.010	45.592	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	667	ARG	1	0.867	0.934	44.398	0.039	0.039	0.000	0.000	0.000	0.000
653	A	668	ASN	0	0.071	0.028	48.246	-0.002	-0.002	0.000	0.000	0.000	0.000
654	A	669	ARG	1	0.818	0.896	50.678	0.019	0.019	0.000	0.000	0.000	0.000
655	A	670	ILE	0	-0.015	-0.004	44.157	0.000	0.000	0.000	0.000	0.000	0.000
656	A	671	ASP	-1	-0.823	-0.905	47.224	-0.041	-0.041	0.000	0.000	0.000	0.000
657	A	672	MET	0	-0.015	0.001	48.920	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	673	LEU	0	-0.048	-0.010	47.017	0.000	0.000	0.000	0.000	0.000	0.000
659	A	674	SER	0	-0.015	0.000	44.702	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	675	THR	0	-0.057	-0.031	47.064	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	676	GLY	0	-0.005	0.007	49.754	0.000	0.000	0.000	0.000	0.000	0.000
662	A	677	ILE	0	-0.065	-0.038	52.710	0.002	0.002	0.000	0.000	0.000	0.000
663	A	678	LYS	1	0.898	0.931	52.985	0.025	0.025	0.000	0.000	0.000	0.000
664	A	679	SER	0	0.016	0.010	54.591	0.001	0.001	0.000	0.000	0.000	0.000
665	A	680	PRO	0	-0.003	-0.012	50.687	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	681	ILE	0	-0.009	-0.013	51.076	-0.003	-0.003	0.000	0.000	0.000	0.000
667	A	682	GLY	0	0.061	0.043	53.270	0.002	0.002	0.000	0.000	0.000	0.000
668	A	683	ILE	0	-0.036	-0.009	54.171	-0.002	-0.002	0.000	0.000	0.000	0.000
669	A	684	LYS	1	0.839	0.892	51.832	0.040	0.040	0.000	0.000	0.000	0.000
670	A	685	VAL	0	-0.001	0.012	57.066	-0.002	-0.002	0.000	0.000	0.000	0.000
671	A	686	SER	0	0.016	0.002	57.628	0.001	0.001	0.000	0.000	0.000	0.000
672	A	687	GLY	0	0.022	-0.012	60.020	-0.001	-0.001	0.000	0.000	0.000	0.000
673	A	688	THR	0	-0.017	-0.013	62.499	0.000	0.000	0.000	0.000	0.000	0.000
674	A	689	VAL	0	-0.005	0.008	65.024	0.001	0.001	0.000	0.000	0.000	0.000
675	A	690	LEU	0	0.039	0.017	66.884	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	691	ALA	0	0.107	0.056	68.508	0.000	0.000	0.000	0.000	0.000	0.000
677	A	692	ASP	-1	-0.872	-0.932	67.603	-0.029	-0.029	0.000	0.000	0.000	0.000
678	A	693	ILE	0	-0.043	-0.025	62.954	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	694	ASP	-1	-0.767	-0.878	65.584	-0.026	-0.026	0.000	0.000	0.000	0.000
680	A	695	ALA	0	0.004	0.012	67.952	0.000	0.000	0.000	0.000	0.000	0.000
681	A	696	MET	0	-0.065	-0.028	64.216	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	697	ALA	0	0.021	0.002	63.875	-0.001	-0.001	0.000	0.000	0.000	0.000
683	A	698	GLU	-1	-0.875	-0.914	64.828	-0.025	-0.025	0.000	0.000	0.000	0.000
684	A	699	GLN	0	0.000	-0.009	66.967	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	700	ILE	0	-0.018	-0.026	60.750	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	701	GLU	-1	-0.768	-0.851	63.539	-0.028	-0.028	0.000	0.000	0.000	0.000
687	A	702	GLU	-1	-0.940	-0.978	64.893	-0.028	-0.028	0.000	0.000	0.000	0.000
688	A	703	VAL	0	-0.021	-0.010	63.042	0.000	0.000	0.000	0.000	0.000	0.000
689	A	704	ALA	0	0.000	0.005	61.319	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	705	ARG	1	0.810	0.900	62.452	0.027	0.027	0.000	0.000	0.000	0.000
691	A	706	THR	0	-0.095	-0.045	64.855	0.000	0.000	0.000	0.000	0.000	0.000
692	A	707	VAL	0	-0.043	-0.021	58.786	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	708	PRO	0	0.001	-0.016	59.995	0.001	0.001	0.000	0.000	0.000	0.000
694	A	709	GLY	0	-0.014	-0.008	58.003	0.001	0.001	0.000	0.000	0.000	0.000
695	A	710	VAL	0	-0.068	-0.021	58.839	0.000	0.000	0.000	0.000	0.000	0.000
696	A	711	ALA	0	0.031	0.033	60.564	0.001	0.001	0.000	0.000	0.000	0.000
697	A	712	SER	0	-0.052	-0.028	61.819	0.001	0.001	0.000	0.000	0.000	0.000
698	A	713	ALA	0	0.028	0.002	61.732	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	714	LEU	0	-0.036	-0.009	62.874	0.001	0.001	0.000	0.000	0.000	0.000
700	A	715	ALA	0	0.021	0.014	63.109	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	716	GLU	-1	-0.779	-0.830	61.278	-0.027	-0.027	0.000	0.000	0.000	0.000
702	A	717	ARG	1	0.782	0.857	65.236	0.025	0.025	0.000	0.000	0.000	0.000
703	A	718	LEU	0	0.007	-0.007	64.403	0.000	0.000	0.000	0.000	0.000	0.000
704	A	719	GLU	-1	-0.975	-1.007	67.770	-0.022	-0.022	0.000	0.000	0.000	0.000
705	A	720	GLY	0	0.030	0.032	71.454	0.000	0.000	0.000	0.000	0.000	0.000
706	A	721	GLY	0	-0.004	-0.003	73.280	0.001	0.001	0.000	0.000	0.000	0.000
707	A	722	ARG	1	0.922	0.952	74.490	0.017	0.017	0.000	0.000	0.000	0.000
708	A	723	TYR	0	-0.047	-0.029	73.700	0.001	0.001	0.000	0.000	0.000	0.000
709	A	724	ILE	0	0.005	-0.008	80.080	0.000	0.000	0.000	0.000	0.000	0.000
710	A	725	ASN	0	0.017	0.032	80.769	0.000	0.000	0.000	0.000	0.000	0.000
711	A	726	VAL	0	0.040	0.012	84.027	0.000	0.000	0.000	0.000	0.000	0.000
712	A	727	GLU	-1	-0.876	-0.938	85.682	-0.014	-0.014	0.000	0.000	0.000	0.000
713	A	728	ILE	0	-0.016	-0.015	86.359	0.000	0.000	0.000	0.000	0.000	0.000
714	A	729	ASN	0	0.023	0.006	89.183	0.000	0.000	0.000	0.000	0.000	0.000
715	A	730	ARG	1	0.994	0.981	85.252	0.013	0.013	0.000	0.000	0.000	0.000
716	A	731	GLU	-1	-0.907	-0.947	92.426	-0.011	-0.011	0.000	0.000	0.000	0.000
717	A	732	LYS	1	0.834	0.935	94.982	0.011	0.011	0.000	0.000	0.000	0.000
718	A	733	ALA	0	0.025	0.003	93.494	0.000	0.000	0.000	0.000	0.000	0.000
719	A	734	ALA	0	0.026	0.016	95.493	0.000	0.000	0.000	0.000	0.000	0.000
720	A	735	ARG	1	0.914	0.976	96.848	0.009	0.009	0.000	0.000	0.000	0.000
721	A	736	TYR	0	-0.026	-0.022	97.855	0.000	0.000	0.000	0.000	0.000	0.000
722	A	737	GLY	0	-0.003	0.000	97.921	0.000	0.000	0.000	0.000	0.000	0.000
723	A	738	MET	0	-0.081	-0.025	93.006	0.000	0.000	0.000	0.000	0.000	0.000
724	A	739	THR	0	-0.029	-0.048	89.773	0.000	0.000	0.000	0.000	0.000	0.000
725	A	740	VAL	0	-0.014	-0.029	85.749	0.000	0.000	0.000	0.000	0.000	0.000
726	A	741	ALA	0	0.045	0.023	85.722	0.000	0.000	0.000	0.000	0.000	0.000
727	A	742	ASP	-1	-0.795	-0.862	86.754	-0.009	-0.009	0.000	0.000	0.000	0.000
728	A	743	VAL	0	-0.016	-0.014	89.389	0.000	0.000	0.000	0.000	0.000	0.000
729	A	744	GLN	0	0.020	-0.010	82.668	0.000	0.000	0.000	0.000	0.000	0.000
730	A	745	LEU	0	0.026	0.046	85.427	0.000	0.000	0.000	0.000	0.000	0.000
731	A	746	PHE	0	0.041	-0.006	86.688	0.000	0.000	0.000	0.000	0.000	0.000
732	A	747	VAL	0	-0.022	-0.008	83.323	0.000	0.000	0.000	0.000	0.000	0.000
733	A	748	THR	0	0.005	-0.004	81.138	0.000	0.000	0.000	0.000	0.000	0.000
734	A	749	SER	0	0.002	0.011	82.571	0.000	0.000	0.000	0.000	0.000	0.000
735	A	750	ALA	0	0.024	0.029	85.133	0.000	0.000	0.000	0.000	0.000	0.000
736	A	751	VAL	0	-0.018	-0.016	84.814	0.000	0.000	0.000	0.000	0.000	0.000
737	A	752	GLY	0	0.006	-0.010	82.177	0.000	0.000	0.000	0.000	0.000	0.000
738	A	753	GLY	0	-0.007	-0.016	81.141	0.000	0.000	0.000	0.000	0.000	0.000
739	A	754	ALA	0	-0.025	-0.006	79.083	0.000	0.000	0.000	0.000	0.000	0.000
740	A	755	MET	0	0.015	0.009	74.537	0.000	0.000	0.000	0.000	0.000	0.000
741	A	756	VAL	0	-0.076	-0.052	79.072	0.000	0.000	0.000	0.000	0.000	0.000
742	A	757	GLY	0	0.033	0.014	79.359	0.000	0.000	0.000	0.000	0.000	0.000
743	A	758	GLU	-1	-0.800	-0.872	73.773	-0.006	-0.006	0.000	0.000	0.000	0.000
744	A	759	THR	0	-0.007	0.009	78.341	0.000	0.000	0.000	0.000	0.000	0.000
745	A	760	VAL	0	-0.002	-0.001	76.067	0.000	0.000	0.000	0.000	0.000	0.000
746	A	761	GLU	-1	-0.741	-0.833	76.526	-0.003	-0.003	0.000	0.000	0.000	0.000
747	A	762	GLY	0	0.003	0.004	75.391	0.000	0.000	0.000	0.000	0.000	0.000
748	A	763	ILE	0	-0.019	-0.022	68.674	0.000	0.000	0.000	0.000	0.000	0.000
749	A	764	ALA	0	-0.005	0.007	71.311	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	765	ARG	1	0.804	0.864	70.960	0.005	0.005	0.000	0.000	0.000	0.000
751	A	766	TYR	0	0.005	-0.007	74.005	0.000	0.000	0.000	0.000	0.000	0.000
752	A	767	PRO	0	0.038	0.031	75.143	0.000	0.000	0.000	0.000	0.000	0.000
753	A	768	ILE	0	-0.003	0.006	77.764	0.000	0.000	0.000	0.000	0.000	0.000
754	A	769	ASN	0	-0.058	-0.034	80.735	0.000	0.000	0.000	0.000	0.000	0.000
755	A	770	LEU	0	0.041	0.017	82.899	0.000	0.000	0.000	0.000	0.000	0.000
756	A	771	ARG	1	0.857	0.943	81.457	0.009	0.009	0.000	0.000	0.000	0.000
757	A	772	TYR	0	-0.027	-0.016	87.390	0.000	0.000	0.000	0.000	0.000	0.000
758	A	773	PRO	0	0.028	0.006	89.056	0.000	0.000	0.000	0.000	0.000	0.000
759	A	774	GLN	0	0.022	0.002	85.599	0.000	0.000	0.000	0.000	0.000	0.000
760	A	775	SER	0	0.042	0.030	89.450	0.000	0.000	0.000	0.000	0.000	0.000
761	A	776	TRP	0	-0.006	-0.004	92.105	0.000	0.000	0.000	0.000	0.000	0.000
762	A	777	ARG	1	0.798	0.896	85.522	0.009	0.009	0.000	0.000	0.000	0.000
763	A	778	ASP	-1	-0.845	-0.919	87.706	-0.010	-0.010	0.000	0.000	0.000	0.000
764	A	779	SER	0	-0.023	-0.013	88.049	0.000	0.000	0.000	0.000	0.000	0.000
765	A	780	PRO	0	0.039	0.008	87.372	0.000	0.000	0.000	0.000	0.000	0.000
766	A	781	GLN	0	0.017	-0.014	89.789	0.000	0.000	0.000	0.000	0.000	0.000
767	A	782	ALA	0	0.017	0.023	91.424	0.000	0.000	0.000	0.000	0.000	0.000
768	A	783	LEU	0	0.050	0.020	86.656	0.000	0.000	0.000	0.000	0.000	0.000
769	A	784	ARG	1	0.822	0.908	90.770	0.012	0.012	0.000	0.000	0.000	0.000
770	A	785	GLN	0	0.003	-0.008	94.157	0.000	0.000	0.000	0.000	0.000	0.000
771	A	786	LEU	0	-0.028	0.004	90.851	0.000	0.000	0.000	0.000	0.000	0.000
772	A	787	PRO	0	0.030	0.017	94.244	0.000	0.000	0.000	0.000	0.000	0.000
773	A	788	ILE	0	-0.005	0.003	92.874	0.000	0.000	0.000	0.000	0.000	0.000
774	A	789	LEU	0	-0.024	0.001	96.355	0.000	0.000	0.000	0.000	0.000	0.000
775	A	790	THR	0	0.005	-0.026	96.909	0.000	0.000	0.000	0.000	0.000	0.000
776	A	791	PRO	0	0.062	0.024	95.763	0.000	0.000	0.000	0.000	0.000	0.000
777	A	792	MET	0	-0.061	-0.030	98.427	0.000	0.000	0.000	0.000	0.000	0.000
778	A	793	LYS	1	0.855	0.932	99.076	0.006	0.006	0.000	0.000	0.000	0.000
779	A	794	GLN	0	0.050	0.050	101.822	0.000	0.000	0.000	0.000	0.000	0.000
780	A	795	GLN	0	-0.009	-0.010	101.076	0.000	0.000	0.000	0.000	0.000	0.000
781	A	796	ILE	0	-0.016	0.004	97.114	0.000	0.000	0.000	0.000	0.000	0.000
782	A	797	THR	0	-0.034	-0.025	97.270	0.000	0.000	0.000	0.000	0.000	0.000
783	A	798	LEU	0	0.018	0.001	89.464	0.000	0.000	0.000	0.000	0.000	0.000
784	A	799	ALA	0	0.007	0.005	93.882	0.000	0.000	0.000	0.000	0.000	0.000
785	A	800	ASP	-1	-0.870	-0.902	95.393	-0.009	-0.009	0.000	0.000	0.000	0.000
786	A	801	VAL	0	-0.024	-0.030	92.836	0.000	0.000	0.000	0.000	0.000	0.000
787	A	802	ALA	0	-0.040	-0.019	90.144	0.000	0.000	0.000	0.000	0.000	0.000
788	A	803	ASP	-1	-0.830	-0.873	90.757	-0.012	-0.012	0.000	0.000	0.000	0.000
789	A	804	ILE	0	-0.013	-0.010	88.221	0.000	0.000	0.000	0.000	0.000	0.000
790	A	805	LYS	1	0.800	0.893	86.821	0.014	0.014	0.000	0.000	0.000	0.000
791	A	806	VAL	0	-0.003	0.003	83.619	0.000	0.000	0.000	0.000	0.000	0.000
792	A	807	SER	0	-0.036	-0.033	81.184	0.000	0.000	0.000	0.000	0.000	0.000
793	A	808	THR	0	0.004	-0.008	76.481	0.000	0.000	0.000	0.000	0.000	0.000
794	A	809	GLY	0	0.043	0.026	75.412	0.000	0.000	0.000	0.000	0.000	0.000
795	A	810	PRO	0	0.027	0.008	70.357	0.000	0.000	0.000	0.000	0.000	0.000
796	A	811	SER	0	0.031	0.033	69.240	0.001	0.001	0.000	0.000	0.000	0.000
797	A	812	MET	0	-0.043	-0.021	63.246	0.000	0.000	0.000	0.000	0.000	0.000
798	A	813	LEU	0	-0.029	-0.011	65.381	-0.001	-0.001	0.000	0.000	0.000	0.000
799	A	814	LYS	1	0.866	0.949	59.149	0.028	0.028	0.000	0.000	0.000	0.000
800	A	815	THR	0	-0.050	-0.025	59.017	-0.001	-0.001	0.000	0.000	0.000	0.000
801	A	816	GLU	-1	-0.796	-0.880	53.175	-0.037	-0.037	0.000	0.000	0.000	0.000
802	A	817	ASN	0	0.019	-0.012	51.209	0.000	0.000	0.000	0.000	0.000	0.000
803	A	818	ALA	0	0.008	0.002	54.934	0.000	0.000	0.000	0.000	0.000	0.000
804	A	819	ARG	1	0.917	0.962	57.123	0.037	0.037	0.000	0.000	0.000	0.000
805	A	820	PRO	0	0.023	0.017	59.467	0.000	0.000	0.000	0.000	0.000	0.000
806	A	821	THR	0	-0.050	-0.032	57.676	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	822	SER	0	-0.003	0.007	60.728	0.001	0.001	0.000	0.000	0.000	0.000
808	A	823	TRP	0	-0.003	-0.023	55.665	-0.001	-0.001	0.000	0.000	0.000	0.000
809	A	824	ILE	0	-0.002	-0.010	59.224	0.001	0.001	0.000	0.000	0.000	0.000
810	A	825	TYR	0	-0.057	-0.056	57.600	-0.002	-0.002	0.000	0.000	0.000	0.000
811	A	826	ILE	0	-0.023	-0.021	57.307	0.001	0.001	0.000	0.000	0.000	0.000
812	A	827	ASP	-1	-0.823	-0.910	57.120	-0.031	-0.031	0.000	0.000	0.000	0.000
813	A	828	ALA	0	0.002	-0.003	55.836	0.000	0.000	0.000	0.000	0.000	0.000
814	A	829	ARG	1	0.742	0.844	54.160	0.027	0.027	0.000	0.000	0.000	0.000
815	A	830	ASP	-1	-0.884	-0.918	54.129	-0.034	-0.034	0.000	0.000	0.000	0.000
816	A	831	ARG	1	0.775	0.855	53.475	0.044	0.044	0.000	0.000	0.000	0.000
817	A	832	ASP	-1	-0.744	-0.849	48.423	-0.053	-0.053	0.000	0.000	0.000	0.000
818	A	833	MET	0	0.018	-0.005	47.319	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	834	VAL	0	-0.015	-0.017	46.320	0.000	0.000	0.000	0.000	0.000	0.000
820	A	835	SER	0	-0.056	-0.053	49.096	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	836	VAL	0	0.014	0.019	51.968	0.001	0.001	0.000	0.000	0.000	0.000
822	A	837	VAL	0	0.013	0.010	49.829	0.001	0.001	0.000	0.000	0.000	0.000
823	A	838	HIS	1	0.849	0.913	47.421	0.060	0.060	0.000	0.000	0.000	0.000
824	A	839	ASP	-1	-0.784	-0.864	53.016	-0.047	-0.047	0.000	0.000	0.000	0.000
825	A	840	LEU	0	-0.023	0.002	55.855	0.001	0.001	0.000	0.000	0.000	0.000
826	A	841	GLN	0	0.004	0.009	50.503	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	842	LYS	1	0.870	0.945	55.548	0.051	0.051	0.000	0.000	0.000	0.000
828	A	843	ALA	0	0.051	0.024	58.209	0.001	0.001	0.000	0.000	0.000	0.000
829	A	844	ILE	0	0.017	0.001	58.442	0.001	0.001	0.000	0.000	0.000	0.000
830	A	845	ALA	0	-0.041	-0.014	58.280	0.001	0.001	0.000	0.000	0.000	0.000
831	A	846	GLU	-1	-0.916	-0.954	60.428	-0.041	-0.041	0.000	0.000	0.000	0.000
832	A	847	LYS	1	0.825	0.908	63.293	0.039	0.039	0.000	0.000	0.000	0.000
833	A	848	VAL	0	0.019	0.014	63.712	0.001	0.001	0.000	0.000	0.000	0.000
834	A	849	GLN	0	-0.036	-0.003	64.047	0.000	0.000	0.000	0.000	0.000	0.000
835	A	850	LEU	0	0.004	0.002	59.588	0.001	0.001	0.000	0.000	0.000	0.000
836	A	851	LYS	1	0.882	0.934	64.305	0.031	0.031	0.000	0.000	0.000	0.000
837	A	852	PRO	0	0.021	-0.008	64.177	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	853	GLY	0	-0.019	0.009	63.062	-0.001	-0.001	0.000	0.000	0.000	0.000
839	A	854	THR	0	-0.055	-0.032	62.442	0.001	0.001	0.000	0.000	0.000	0.000
840	A	855	SER	0	-0.006	0.009	57.098	-0.001	-0.001	0.000	0.000	0.000	0.000
841	A	856	VAL	0	0.021	-0.001	57.420	0.001	0.001	0.000	0.000	0.000	0.000
842	A	857	ALA	0	-0.001	0.008	52.724	-0.002	-0.002	0.000	0.000	0.000	0.000
843	A	858	PHE	0	-0.006	0.006	51.758	0.002	0.002	0.000	0.000	0.000	0.000
844	A	859	SER	0	-0.046	-0.064	50.108	-0.001	-0.001	0.000	0.000	0.000	0.000
845	A	860	GLY	0	0.091	0.053	49.479	0.001	0.001	0.000	0.000	0.000	0.000
846	A	861	GLN	0	0.060	-0.016	46.202	-0.004	-0.004	0.000	0.000	0.000	0.000
847	A	862	PHE	0	-0.035	-0.006	45.572	-0.003	-0.003	0.000	0.000	0.000	0.000
848	A	863	GLU	-1	-0.851	-0.892	45.834	-0.051	-0.051	0.000	0.000	0.000	0.000
849	A	864	LEU	0	-0.007	0.001	42.327	-0.003	-0.003	0.000	0.000	0.000	0.000
850	A	865	LEU	0	-0.045	-0.026	41.329	-0.004	-0.004	0.000	0.000	0.000	0.000
851	A	866	GLU	-1	-0.935	-0.975	41.000	-0.069	-0.069	0.000	0.000	0.000	0.000
852	A	867	ARG	1	0.874	0.917	38.625	0.056	0.056	0.000	0.000	0.000	0.000
853	A	868	ALA	0	0.034	0.012	36.938	-0.005	-0.005	0.000	0.000	0.000	0.000
854	A	869	ASN	0	-0.026	-0.026	36.117	-0.009	-0.009	0.000	0.000	0.000	0.000
855	A	870	HIS	0	-0.066	-0.026	36.095	-0.005	-0.005	0.000	0.000	0.000	0.000
856	A	871	LYS	1	0.830	0.915	31.779	0.088	0.088	0.000	0.000	0.000	0.000
857	A	872	LEU	0	0.048	0.019	32.018	-0.009	-0.009	0.000	0.000	0.000	0.000
858	A	873	LYS	1	0.910	0.946	31.871	0.085	0.085	0.000	0.000	0.000	0.000
859	A	874	LEU	0	-0.003	0.009	30.365	-0.008	-0.008	0.000	0.000	0.000	0.000
860	A	875	MET	0	0.020	0.031	27.754	-0.008	-0.008	0.000	0.000	0.000	0.000
861	A	876	VAL	0	-0.010	-0.004	27.177	-0.012	-0.012	0.000	0.000	0.000	0.000
862	A	877	PRO	0	0.024	0.007	26.388	-0.016	-0.016	0.000	0.000	0.000	0.000
863	A	878	MET	0	0.012	0.017	24.043	-0.020	-0.020	0.000	0.000	0.000	0.000
864	A	879	THR	0	0.042	0.011	22.508	-0.020	-0.020	0.000	0.000	0.000	0.000
865	A	880	LEU	0	-0.039	-0.032	22.119	-0.021	-0.021	0.000	0.000	0.000	0.000
866	A	881	MET	0	-0.012	-0.005	21.041	-0.031	-0.031	0.000	0.000	0.000	0.000
867	A	882	ILE	0	-0.002	0.004	16.935	-0.041	-0.041	0.000	0.000	0.000	0.000
868	A	883	ILE	0	0.012	0.013	16.908	-0.039	-0.039	0.000	0.000	0.000	0.000
869	A	884	PHE	0	-0.018	-0.009	17.455	-0.048	-0.048	0.000	0.000	0.000	0.000
870	A	885	VAL	0	0.024	0.008	13.319	-0.057	-0.057	0.000	0.000	0.000	0.000
871	A	886	LEU	0	0.017	0.011	12.098	-0.095	-0.095	0.000	0.000	0.000	0.000
872	A	887	LEU	0	0.000	0.007	12.329	-0.090	-0.090	0.000	0.000	0.000	0.000
873	A	888	TYR	0	-0.040	-0.022	12.942	-0.075	-0.075	0.000	0.000	0.000	0.000
874	A	889	LEU	0	-0.049	-0.014	7.386	-0.127	-0.127	0.000	0.000	0.000	0.000
875	A	890	ALA	0	-0.029	-0.007	8.397	-0.300	-0.300	0.000	0.000	0.000	0.000
876	A	891	PHE	0	-0.002	0.004	9.224	-0.267	-0.267	0.000	0.000	0.000	0.000
877	A	892	ARG	1	0.921	0.968	5.343	2.769	2.769	0.000	0.000	0.000	0.000
878	A	893	ARG	1	0.865	0.929	12.122	0.695	0.695	0.000	0.000	0.000	0.000
879	A	894	VAL	0	0.077	0.035	15.824	0.032	0.032	0.000	0.000	0.000	0.000
880	A	895	GLY	0	-0.010	-0.009	18.511	0.021	0.021	0.000	0.000	0.000	0.000
881	A	896	GLU	-1	-0.742	-0.865	15.750	-0.624	-0.624	0.000	0.000	0.000	0.000
882	A	897	ALA	0	0.040	0.017	16.328	0.023	0.023	0.000	0.000	0.000	0.000
883	A	898	LEU	0	-0.013	-0.018	18.335	0.032	0.032	0.000	0.000	0.000	0.000
884	A	899	LEU	0	-0.031	-0.016	21.622	0.032	0.032	0.000	0.000	0.000	0.000
885	A	900	ILE	0	-0.001	0.008	18.408	0.026	0.026	0.000	0.000	0.000	0.000
886	A	901	ILE	0	0.050	0.036	20.485	0.027	0.027	0.000	0.000	0.000	0.000
887	A	902	SER	0	-0.057	-0.029	22.650	0.028	0.028	0.000	0.000	0.000	0.000
888	A	903	SER	0	-0.053	-0.029	24.184	0.019	0.019	0.000	0.000	0.000	0.000
889	A	904	VAL	0	0.045	0.013	24.626	0.016	0.016	0.000	0.000	0.000	0.000
890	A	905	PRO	0	-0.001	0.006	27.251	0.016	0.016	0.000	0.000	0.000	0.000
891	A	906	PHE	0	0.009	-0.004	28.581	0.012	0.012	0.000	0.000	0.000	0.000
892	A	907	ALA	0	0.009	0.034	28.212	0.010	0.010	0.000	0.000	0.000	0.000
893	A	908	LEU	0	0.007	0.013	30.303	0.011	0.011	0.000	0.000	0.000	0.000
894	A	909	VAL	0	-0.006	-0.010	32.758	0.009	0.009	0.000	0.000	0.000	0.000
895	A	910	GLY	0	0.033	0.003	33.854	0.008	0.008	0.000	0.000	0.000	0.000
896	A	911	GLY	0	-0.001	0.009	34.076	0.007	0.007	0.000	0.000	0.000	0.000
897	A	912	ILE	0	-0.014	-0.017	34.945	0.007	0.007	0.000	0.000	0.000	0.000
898	A	913	TRP	0	-0.013	-0.013	38.241	0.008	0.008	0.000	0.000	0.000	0.000
899	A	914	LEU	0	-0.020	0.007	35.945	0.005	0.005	0.000	0.000	0.000	0.000
900	A	915	LEU	0	-0.004	0.004	37.481	0.005	0.005	0.000	0.000	0.000	0.000
901	A	916	TRP	0	0.039	0.013	40.330	0.004	0.004	0.000	0.000	0.000	0.000
902	A	917	TRP	0	-0.074	-0.026	42.303	0.003	0.003	0.000	0.000	0.000	0.000
903	A	918	MET	0	-0.036	-0.020	39.824	0.004	0.004	0.000	0.000	0.000	0.000
904	A	919	GLY	0	0.002	0.021	43.444	0.003	0.003	0.000	0.000	0.000	0.000
905	A	920	PHE	0	-0.075	-0.049	39.323	0.001	0.001	0.000	0.000	0.000	0.000
906	A	921	HIS	0	-0.028	-0.022	43.124	-0.001	-0.001	0.000	0.000	0.000	0.000
907	A	922	LEU	0	-0.029	-0.025	38.487	-0.002	-0.002	0.000	0.000	0.000	0.000
908	A	923	SER	0	0.049	0.025	39.226	0.003	0.003	0.000	0.000	0.000	0.000
909	A	924	VAL	0	0.041	0.017	35.565	-0.005	-0.005	0.000	0.000	0.000	0.000
910	A	925	ALA	0	0.038	0.037	35.268	-0.003	-0.003	0.000	0.000	0.000	0.000
911	A	926	THR	0	-0.026	-0.009	34.314	-0.005	-0.005	0.000	0.000	0.000	0.000
912	A	927	GLY	0	-0.016	-0.013	33.906	-0.006	-0.006	0.000	0.000	0.000	0.000
913	A	928	THR	0	0.036	0.008	29.838	-0.010	-0.010	0.000	0.000	0.000	0.000
914	A	929	GLY	0	0.048	0.024	29.672	-0.007	-0.007	0.000	0.000	0.000	0.000
915	A	930	PHE	0	-0.021	-0.024	29.512	-0.007	-0.007	0.000	0.000	0.000	0.000
916	A	931	ILE	0	-0.026	-0.004	26.329	-0.013	-0.013	0.000	0.000	0.000	0.000
917	A	932	ALA	0	-0.011	-0.012	25.090	-0.014	-0.014	0.000	0.000	0.000	0.000
918	A	933	LEU	0	-0.060	-0.001	24.758	-0.009	-0.009	0.000	0.000	0.000	0.000
919	A	934	ALA	0	-0.003	-0.005	25.822	-0.012	-0.012	0.000	0.000	0.000	0.000
920	A	935	GLY	0	0.026	0.009	21.786	-0.020	-0.020	0.000	0.000	0.000	0.000
921	A	936	VAL	0	0.029	0.007	20.619	-0.018	-0.018	0.000	0.000	0.000	0.000
922	A	937	ALA	0	-0.020	-0.005	22.332	-0.008	-0.008	0.000	0.000	0.000	0.000
923	A	938	ALA	0	-0.028	-0.018	20.309	-0.015	-0.015	0.000	0.000	0.000	0.000
924	A	939	GLU	-1	-0.827	-0.881	17.036	-0.303	-0.303	0.000	0.000	0.000	0.000
925	A	940	PHE	0	0.089	0.042	18.435	-0.029	-0.029	0.000	0.000	0.000	0.000
926	A	941	GLY	0	-0.015	-0.023	20.246	-0.016	-0.016	0.000	0.000	0.000	0.000
927	A	942	VAL	0	0.002	-0.004	14.150	-0.039	-0.039	0.000	0.000	0.000	0.000
928	A	943	VAL	0	0.025	0.008	15.461	-0.054	-0.054	0.000	0.000	0.000	0.000
929	A	944	MET	0	-0.029	0.025	17.345	0.029	0.029	0.000	0.000	0.000	0.000
930	A	945	LEU	0	-0.029	-0.005	16.157	0.010	0.010	0.000	0.000	0.000	0.000
931	A	946	MET	0	-0.019	-0.007	13.571	-0.057	-0.057	0.000	0.000	0.000	0.000
932	A	947	TYR	0	0.007	0.005	15.472	-0.019	-0.019	0.000	0.000	0.000	0.000
933	A	948	LEU	0	-0.003	-0.010	17.939	0.023	0.023	0.000	0.000	0.000	0.000
934	A	949	ARG	1	0.735	0.857	12.778	0.915	0.915	0.000	0.000	0.000	0.000
935	A	950	HIS	1	0.897	0.929	10.835	0.895	0.895	0.000	0.000	0.000	0.000
936	A	951	ALA	0	0.023	0.028	15.758	0.042	0.042	0.000	0.000	0.000	0.000
937	A	952	ILE	0	-0.088	-0.046	19.001	0.037	0.037	0.000	0.000	0.000	0.000
938	A	953	GLU	-1	-0.849	-0.945	13.102	-0.906	-0.906	0.000	0.000	0.000	0.000
939	A	954	ALA	0	0.012	0.033	16.497	0.007	0.007	0.000	0.000	0.000	0.000
940	A	955	VAL	0	0.051	0.031	18.447	-0.005	-0.005	0.000	0.000	0.000	0.000
941	A	956	PRO	0	0.057	0.023	21.482	0.006	0.006	0.000	0.000	0.000	0.000
942	A	957	SER	0	-0.109	-0.047	19.117	-0.009	-0.009	0.000	0.000	0.000	0.000
943	A	958	LEU	0	0.053	0.024	19.871	-0.015	-0.015	0.000	0.000	0.000	0.000
944	A	959	ASN	0	-0.023	-0.014	22.995	0.004	0.004	0.000	0.000	0.000	0.000
945	A	960	ASN	0	-0.030	-0.026	23.754	0.012	0.012	0.000	0.000	0.000	0.000
946	A	961	PRO	0	0.030	0.022	21.028	0.005	0.005	0.000	0.000	0.000	0.000
947	A	962	GLN	0	-0.095	-0.023	24.160	0.017	0.017	0.000	0.000	0.000	0.000
948	A	963	THR	0	-0.045	-0.021	26.805	0.017	0.017	0.000	0.000	0.000	0.000
949	A	964	PHE	0	0.030	0.014	28.716	-0.010	-0.010	0.000	0.000	0.000	0.000
950	A	965	SER	0	0.027	-0.003	29.972	0.013	0.013	0.000	0.000	0.000	0.000
951	A	966	GLU	-1	-0.814	-0.889	30.090	-0.143	-0.143	0.000	0.000	0.000	0.000
952	A	967	GLN	0	0.033	0.005	30.899	-0.001	-0.001	0.000	0.000	0.000	0.000
953	A	968	LYS	1	0.833	0.902	27.765	0.117	0.117	0.000	0.000	0.000	0.000
954	A	969	LEU	0	-0.003	0.003	25.754	-0.007	-0.007	0.000	0.000	0.000	0.000
955	A	970	ASP	-1	-0.812	-0.896	26.455	-0.166	-0.166	0.000	0.000	0.000	0.000
956	A	971	GLU	-1	-0.908	-0.939	28.431	-0.101	-0.101	0.000	0.000	0.000	0.000
957	A	972	ALA	0	-0.012	-0.010	23.316	0.004	0.004	0.000	0.000	0.000	0.000
958	A	973	LEU	0	0.005	-0.008	23.493	-0.019	-0.019	0.000	0.000	0.000	0.000
959	A	974	TYR	0	-0.023	-0.013	25.377	0.004	0.004	0.000	0.000	0.000	0.000
960	A	975	HIS	0	0.035	0.013	20.456	0.007	0.007	0.000	0.000	0.000	0.000
961	A	976	GLY	0	0.010	0.014	21.547	0.004	0.004	0.000	0.000	0.000	0.000
962	A	977	ALA	0	0.001	-0.003	22.323	-0.008	-0.008	0.000	0.000	0.000	0.000
963	A	978	VAL	0	0.009	-0.017	25.456	0.006	0.006	0.000	0.000	0.000	0.000
964	A	979	LEU	0	-0.057	-0.021	18.707	0.014	0.014	0.000	0.000	0.000	0.000
965	A	980	ARG	1	0.813	0.922	21.352	0.180	0.180	0.000	0.000	0.000	0.000
966	A	981	VAL	0	-0.029	-0.010	22.601	0.009	0.009	0.000	0.000	0.000	0.000
967	A	982	ARG	1	0.749	0.867	23.218	0.036	0.036	0.000	0.000	0.000	0.000
968	A	983	PRO	0	0.045	0.009	19.278	0.011	0.011	0.000	0.000	0.000	0.000
969	A	984	LYN	0	0.032	0.021	21.093	0.005	0.005	0.000	0.000	0.000	0.000
970	A	985	ALA	0	-0.053	-0.031	23.362	0.007	0.007	0.000	0.000	0.000	0.000
971	A	986	MET	0	-0.018	0.003	22.620	0.010	0.010	0.000	0.000	0.000	0.000
972	A	987	THR	0	0.010	-0.007	20.481	0.007	0.007	0.000	0.000	0.000	0.000
973	A	988	VAL	0	-0.031	-0.037	23.172	0.002	0.002	0.000	0.000	0.000	0.000
974	A	989	ALA	0	-0.015	0.000	26.238	0.006	0.006	0.000	0.000	0.000	0.000
975	A	990	VAL	0	-0.031	-0.022	22.983	0.008	0.008	0.000	0.000	0.000	0.000
976	A	991	ILE	0	-0.002	0.006	22.223	0.006	0.006	0.000	0.000	0.000	0.000
977	A	992	ILE	0	-0.029	-0.017	26.095	0.005	0.005	0.000	0.000	0.000	0.000
978	A	993	ALA	0	-0.029	-0.019	29.589	0.005	0.005	0.000	0.000	0.000	0.000
979	A	994	GLY	0	0.021	0.000	28.378	0.006	0.006	0.000	0.000	0.000	0.000
980	A	995	LEU	0	0.002	0.005	28.113	0.002	0.002	0.000	0.000	0.000	0.000
981	A	996	LEU	0	-0.030	-0.007	30.511	0.000	0.000	0.000	0.000	0.000	0.000
982	A	997	PRO	0	-0.010	-0.004	32.711	0.001	0.001	0.000	0.000	0.000	0.000
983	A	998	ILE	0	0.010	0.004	31.520	0.001	0.001	0.000	0.000	0.000	0.000
984	A	999	LEU	0	-0.048	-0.016	35.436	-0.002	-0.002	0.000	0.000	0.000	0.000
985	A	1000	TRP	0	-0.046	-0.030	37.061	-0.001	-0.001	0.000	0.000	0.000	0.000
986	A	1001	GLY	0	0.047	0.013	39.768	0.001	0.001	0.000	0.000	0.000	0.000
987	A	1002	THR	0	-0.038	-0.011	41.997	0.001	0.001	0.000	0.000	0.000	0.000
988	A	1003	GLY	0	0.071	0.030	42.948	0.001	0.001	0.000	0.000	0.000	0.000
989	A	1004	ALA	0	0.020	0.025	43.714	-0.003	-0.003	0.000	0.000	0.000	0.000
990	A	1005	GLY	0	0.061	0.029	40.194	0.001	0.001	0.000	0.000	0.000	0.000
991	A	1006	SER	0	-0.024	-0.015	39.235	-0.004	-0.004	0.000	0.000	0.000	0.000
992	A	1007	GLU	-1	-0.787	-0.885	39.543	-0.036	-0.036	0.000	0.000	0.000	0.000
993	A	1008	VAL	0	0.005	-0.015	37.032	-0.004	-0.004	0.000	0.000	0.000	0.000
994	A	1009	MET	0	0.007	0.019	31.719	-0.006	-0.006	0.000	0.000	0.000	0.000
995	A	1010	SER	0	0.015	0.003	35.066	-0.005	-0.005	0.000	0.000	0.000	0.000
996	A	1011	ARG	1	0.932	0.957	37.337	0.045	0.045	0.000	0.000	0.000	0.000
997	A	1012	ILE	0	-0.069	-0.025	31.621	-0.006	-0.006	0.000	0.000	0.000	0.000
998	A	1013	ALA	0	0.030	0.021	32.120	-0.006	-0.006	0.000	0.000	0.000	0.000
999	A	1014	ALA	0	0.044	0.023	32.719	-0.006	-0.006	0.000	0.000	0.000	0.000
1000	A	1015	PRO	0	0.000	0.003	32.509	-0.004	-0.004	0.000	0.000	0.000	0.000
1001	A	1016	MET	0	-0.007	-0.002	27.997	-0.010	-0.010	0.000	0.000	0.000	0.000
1002	A	1017	ILE	0	0.010	0.011	29.969	-0.006	-0.006	0.000	0.000	0.000	0.000
1003	A	1018	GLY	0	0.021	-0.001	32.023	-0.002	-0.002	0.000	0.000	0.000	0.000
1004	A	1019	GLY	0	0.000	-0.010	30.763	-0.004	-0.004	0.000	0.000	0.000	0.000
1005	A	1020	MET	0	-0.053	-0.026	25.101	-0.015	-0.015	0.000	0.000	0.000	0.000
1006	A	1021	ILE	0	0.017	0.006	29.345	0.001	0.001	0.000	0.000	0.000	0.000
1007	A	1022	THR	0	-0.023	-0.054	32.106	-0.001	-0.001	0.000	0.000	0.000	0.000
1008	A	1023	ALA	0	0.030	0.025	26.798	-0.008	-0.008	0.000	0.000	0.000	0.000
1009	A	1024	PRO	0	0.015	0.015	26.465	-0.014	-0.014	0.000	0.000	0.000	0.000
1010	A	1025	LEU	0	-0.006	0.004	27.643	-0.006	-0.006	0.000	0.000	0.000	0.000
1011	A	1026	LEU	0	0.039	0.013	30.679	-0.001	-0.001	0.000	0.000	0.000	0.000
1012	A	1027	SER	0	0.017	0.008	24.901	-0.011	-0.011	0.000	0.000	0.000	0.000
1013	A	1028	LEU	0	-0.004	-0.003	25.647	-0.018	-0.018	0.000	0.000	0.000	0.000
1014	A	1029	PHE	0	-0.039	-0.033	27.376	-0.003	-0.003	0.000	0.000	0.000	0.000
1015	A	1030	ILE	0	-0.007	-0.014	27.712	-0.003	-0.003	0.000	0.000	0.000	0.000
1016	A	1031	ILE	0	0.029	0.026	21.552	-0.008	-0.008	0.000	0.000	0.000	0.000
1017	A	1032	PRO	0	-0.002	-0.002	24.501	-0.014	-0.014	0.000	0.000	0.000	0.000
1018	A	1033	ALA	0	-0.007	0.007	25.751	-0.007	-0.007	0.000	0.000	0.000	0.000
1019	A	1034	ALA	0	0.016	0.007	25.904	0.007	0.007	0.000	0.000	0.000	0.000
1020	A	1035	TYR	0	-0.019	-0.009	17.749	-0.022	-0.022	0.000	0.000	0.000	0.000
1021	A	1036	LYS	1	0.815	0.877	24.101	0.149	0.149	0.000	0.000	0.000	0.000
1022	A	1037	LEU	0	-0.024	-0.014	26.649	0.009	0.009	0.000	0.000	0.000	0.000
1023	A	1038	MET	0	0.003	0.001	23.971	-0.009	-0.009	0.000	0.000	0.000	0.000
1024	A	1039	TRP	0	-0.014	-0.003	19.107	-0.011	-0.011	0.000	0.000	0.000	0.000
1025	A	1040	LEU	0	0.041	0.018	24.770	0.004	0.004	0.000	0.000	0.000	0.000
1026	A	1041	HIS	0	-0.016	0.039	27.130	0.013	0.013	0.000	0.000	0.000	0.000
1027	A	1042	ARG	1	0.860	0.919	21.657	0.363	0.363	0.000	0.000	0.000	0.000
1028	A	1043	HIS	0	-0.033	-0.025	23.491	0.017	0.017	0.000	0.000	0.000	0.000

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