FMO DATABASE

FMODB ID: NN5JQ

Calculation Name: 4I2Z-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4I2Z

Chain ID: A

ChEMBL ID:

UniProt ID: Q18688

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	899
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24312750.335648
FMO2-HF: Nuclear repulsion	23955991.585035
FMO2-HF: Total energy	-356758.750613
FMO2-MP2: Total energy	-357785.771617

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:5:VAL)

Summations of interaction energy for fragment #1(A:5:VAL)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-4.794	-2.659	0.009	-0.952	-1.191	0.001

Interaction energy analysis for fragmet #1(A:5:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.034 / q_NPA : -0.025

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	7	THR	0	-0.065	-0.037	3.681	0.032	2.121	0.011	-0.944	-1.156	0.001
4	A	8	ALA	0	0.069	0.020	4.899	0.106	0.151	-0.001	-0.004	-0.039	0.000
5	A	9	GLU	-1	-0.850	-0.915	8.252	-0.547	-0.547	0.000	0.000	0.000	0.000
6	A	10	GLU	-1	-0.853	-0.926	4.987	-3.543	-3.542	-0.001	-0.004	0.004	0.000
7	A	11	ILE	0	0.028	0.022	8.558	0.174	0.174	0.000	0.000	0.000	0.000
8	A	12	ARG	1	0.726	0.822	10.338	0.881	0.881	0.000	0.000	0.000	0.000
9	A	13	ASP	-1	-0.853	-0.902	12.721	-0.583	-0.583	0.000	0.000	0.000	0.000
10	A	14	GLU	-1	-0.892	-0.945	10.665	-1.357	-1.357	0.000	0.000	0.000	0.000
11	A	15	GLY	0	0.024	0.013	14.182	0.106	0.106	0.000	0.000	0.000	0.000
12	A	16	ASN	0	-0.064	-0.054	16.632	0.054	0.054	0.000	0.000	0.000	0.000
13	A	17	ALA	0	-0.043	-0.013	17.438	0.064	0.064	0.000	0.000	0.000	0.000
14	A	18	ALA	0	0.053	0.037	18.348	0.057	0.057	0.000	0.000	0.000	0.000
15	A	19	VAL	0	-0.045	-0.029	20.188	0.055	0.055	0.000	0.000	0.000	0.000
16	A	20	LYS	1	0.868	0.930	20.672	0.442	0.442	0.000	0.000	0.000	0.000
17	A	21	ASP	-1	-0.810	-0.888	20.817	-0.409	-0.409	0.000	0.000	0.000	0.000
18	A	22	GLN	0	-0.064	-0.023	24.280	0.034	0.034	0.000	0.000	0.000	0.000
19	A	23	ASP	-1	-0.823	-0.901	22.078	-0.276	-0.276	0.000	0.000	0.000	0.000
20	A	24	TYR	0	0.044	-0.020	21.996	-0.022	-0.022	0.000	0.000	0.000	0.000
21	A	25	ILE	0	0.021	0.019	21.711	0.002	0.002	0.000	0.000	0.000	0.000
22	A	26	LYS	1	0.874	0.922	17.886	0.416	0.416	0.000	0.000	0.000	0.000
23	A	27	ALA	0	-0.008	0.006	17.752	-0.038	-0.038	0.000	0.000	0.000	0.000
24	A	28	ASP	-1	-0.781	-0.881	18.393	-0.256	-0.256	0.000	0.000	0.000	0.000
25	A	29	GLU	-1	-0.822	-0.886	16.689	-0.255	-0.255	0.000	0.000	0.000	0.000
26	A	30	LEU	0	0.025	0.020	12.837	-0.008	-0.008	0.000	0.000	0.000	0.000
27	A	31	TYR	0	-0.012	-0.030	13.598	-0.050	-0.050	0.000	0.000	0.000	0.000
28	A	32	THR	0	-0.025	-0.019	15.135	0.029	0.029	0.000	0.000	0.000	0.000
29	A	33	GLU	-1	-0.933	-0.971	9.950	-0.463	-0.463	0.000	0.000	0.000	0.000
30	A	34	ALA	0	-0.014	-0.015	10.284	-0.023	-0.023	0.000	0.000	0.000	0.000
31	A	35	LEU	0	-0.045	-0.032	11.048	0.019	0.019	0.000	0.000	0.000	0.000
32	A	36	GLN	0	-0.040	-0.024	11.470	0.057	0.057	0.000	0.000	0.000	0.000
33	A	37	LEU	0	-0.051	-0.008	5.382	0.120	0.120	0.000	0.000	0.000	0.000
34	A	38	THR	0	-0.037	-0.032	8.246	0.000	0.000	0.000	0.000	0.000	0.000
35	A	39	THR	0	-0.030	-0.034	11.084	0.061	0.061	0.000	0.000	0.000	0.000
36	A	40	ASP	-1	-0.935	-0.989	14.173	-0.048	-0.048	0.000	0.000	0.000	0.000
37	A	41	GLU	-1	-0.775	-0.846	11.956	-0.083	-0.083	0.000	0.000	0.000	0.000
38	A	42	ASP	-1	-0.819	-0.889	11.317	-0.394	-0.394	0.000	0.000	0.000	0.000
39	A	43	LYS	1	0.755	0.860	14.534	0.046	0.046	0.000	0.000	0.000	0.000
40	A	44	ALA	0	0.026	0.017	17.963	-0.008	-0.008	0.000	0.000	0.000	0.000
41	A	45	LEU	0	0.015	0.012	11.663	0.010	0.010	0.000	0.000	0.000	0.000
42	A	46	ARG	1	0.885	0.943	14.166	0.164	0.164	0.000	0.000	0.000	0.000
43	A	47	PRO	0	-0.002	-0.001	17.381	-0.006	-0.006	0.000	0.000	0.000	0.000
44	A	48	VAL	0	-0.017	0.001	17.760	0.010	0.010	0.000	0.000	0.000	0.000
45	A	49	LEU	0	0.074	0.045	13.404	-0.003	-0.003	0.000	0.000	0.000	0.000
46	A	50	TYR	0	-0.049	-0.039	18.078	0.008	0.008	0.000	0.000	0.000	0.000
47	A	51	ARG	1	0.856	0.893	21.006	0.232	0.232	0.000	0.000	0.000	0.000
48	A	52	ASN	0	-0.052	-0.016	19.593	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	53	ARG	1	0.859	0.891	18.406	0.229	0.229	0.000	0.000	0.000	0.000
50	A	54	ALA	0	-0.025	-0.011	21.414	0.015	0.015	0.000	0.000	0.000	0.000
51	A	55	MET	0	-0.075	-0.047	24.316	0.017	0.017	0.000	0.000	0.000	0.000
52	A	56	ALA	0	0.039	0.030	22.376	0.010	0.010	0.000	0.000	0.000	0.000
53	A	57	ARG	1	0.745	0.844	21.733	0.206	0.206	0.000	0.000	0.000	0.000
54	A	58	LEU	0	-0.056	-0.028	26.140	0.013	0.013	0.000	0.000	0.000	0.000
55	A	59	LYS	1	0.902	0.957	27.301	0.193	0.193	0.000	0.000	0.000	0.000
56	A	60	ARG	1	0.811	0.905	22.374	0.203	0.203	0.000	0.000	0.000	0.000
57	A	61	ASP	-1	-0.846	-0.912	28.808	-0.117	-0.117	0.000	0.000	0.000	0.000
58	A	62	ASP	-1	-0.760	-0.872	26.971	-0.118	-0.118	0.000	0.000	0.000	0.000
59	A	63	PHE	0	0.039	0.001	29.218	-0.007	-0.007	0.000	0.000	0.000	0.000
60	A	64	GLU	-1	-0.783	-0.871	30.455	-0.072	-0.072	0.000	0.000	0.000	0.000
61	A	65	GLY	0	0.020	0.008	26.737	0.002	0.002	0.000	0.000	0.000	0.000
62	A	66	ALA	0	-0.005	0.002	26.324	-0.010	-0.010	0.000	0.000	0.000	0.000
63	A	67	GLN	0	0.027	0.008	28.151	0.000	0.000	0.000	0.000	0.000	0.000
64	A	68	SER	0	-0.044	-0.022	24.971	0.007	0.007	0.000	0.000	0.000	0.000
65	A	69	ASP	-1	-0.754	-0.847	21.905	-0.182	-0.182	0.000	0.000	0.000	0.000
66	A	70	CYS	0	-0.049	-0.023	24.839	-0.011	-0.011	0.000	0.000	0.000	0.000
67	A	71	THR	0	-0.021	-0.023	27.432	0.003	0.003	0.000	0.000	0.000	0.000
68	A	72	LYS	1	0.866	0.948	21.392	0.138	0.138	0.000	0.000	0.000	0.000
69	A	73	ALA	0	-0.017	0.008	24.246	-0.004	-0.004	0.000	0.000	0.000	0.000
70	A	74	LEU	0	-0.062	-0.036	25.149	0.005	0.005	0.000	0.000	0.000	0.000
71	A	75	GLU	-1	-0.969	-0.981	26.299	-0.078	-0.078	0.000	0.000	0.000	0.000
72	A	76	PHE	0	-0.056	-0.015	22.372	0.004	0.004	0.000	0.000	0.000	0.000
73	A	77	ASP	-1	-0.870	-0.943	26.126	-0.134	-0.134	0.000	0.000	0.000	0.000
74	A	78	GLY	0	0.017	0.000	28.188	-0.003	-0.003	0.000	0.000	0.000	0.000
75	A	79	ALA	0	-0.038	-0.020	31.067	0.005	0.005	0.000	0.000	0.000	0.000
76	A	80	ASP	-1	-0.726	-0.835	26.198	-0.193	-0.193	0.000	0.000	0.000	0.000
77	A	81	VAL	0	0.022	-0.001	29.651	0.000	0.000	0.000	0.000	0.000	0.000
78	A	82	LYS	1	0.850	0.926	27.833	0.165	0.165	0.000	0.000	0.000	0.000
79	A	83	ALA	0	0.034	0.029	27.124	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	84	LEU	0	0.003	-0.001	28.907	0.008	0.008	0.000	0.000	0.000	0.000
81	A	85	PHE	0	-0.008	0.003	31.881	0.005	0.005	0.000	0.000	0.000	0.000
82	A	86	ARG	1	0.897	0.956	25.279	0.220	0.220	0.000	0.000	0.000	0.000
83	A	87	ARG	1	0.850	0.890	31.356	0.102	0.102	0.000	0.000	0.000	0.000
84	A	88	SER	0	-0.074	-0.050	32.519	0.009	0.009	0.000	0.000	0.000	0.000
85	A	89	LEU	0	0.048	0.014	33.791	0.006	0.006	0.000	0.000	0.000	0.000
86	A	90	ALA	0	-0.011	-0.001	31.724	0.004	0.004	0.000	0.000	0.000	0.000
87	A	91	ARG	1	0.841	0.899	33.812	0.089	0.089	0.000	0.000	0.000	0.000
88	A	92	GLU	-1	-0.832	-0.901	36.850	-0.088	-0.088	0.000	0.000	0.000	0.000
89	A	93	GLN	0	-0.034	-0.002	36.203	0.008	0.008	0.000	0.000	0.000	0.000
90	A	94	LEU	0	-0.029	-0.003	34.000	0.004	0.004	0.000	0.000	0.000	0.000
91	A	95	GLY	0	0.030	0.024	38.323	0.006	0.006	0.000	0.000	0.000	0.000
92	A	96	ASN	0	-0.059	-0.031	39.089	0.003	0.003	0.000	0.000	0.000	0.000
93	A	97	VAL	0	0.055	-0.011	40.969	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	98	GLY	0	-0.038	-0.007	42.885	0.000	0.000	0.000	0.000	0.000	0.000
95	A	99	PRO	0	0.000	-0.016	39.280	-0.001	-0.001	0.000	0.000	0.000	0.000
96	A	100	ALA	0	0.039	0.044	38.442	-0.004	-0.004	0.000	0.000	0.000	0.000
97	A	101	PHE	0	0.017	0.012	39.469	-0.004	-0.004	0.000	0.000	0.000	0.000
98	A	102	GLN	0	0.002	-0.015	41.259	-0.003	-0.003	0.000	0.000	0.000	0.000
99	A	103	ASP	-1	-0.754	-0.826	35.699	-0.092	-0.092	0.000	0.000	0.000	0.000
100	A	104	ALA	0	0.051	0.016	37.619	-0.004	-0.004	0.000	0.000	0.000	0.000
101	A	105	LYS	1	0.849	0.921	38.925	0.069	0.069	0.000	0.000	0.000	0.000
102	A	106	GLU	-1	-0.802	-0.890	37.976	-0.075	-0.075	0.000	0.000	0.000	0.000
103	A	107	ALA	0	0.020	0.009	35.605	-0.003	-0.003	0.000	0.000	0.000	0.000
104	A	108	LEU	0	0.011	0.015	36.919	-0.003	-0.003	0.000	0.000	0.000	0.000
105	A	109	ARG	1	0.801	0.878	38.471	0.083	0.083	0.000	0.000	0.000	0.000
106	A	110	LEU	0	-0.034	-0.013	34.614	0.004	0.004	0.000	0.000	0.000	0.000
107	A	111	SER	0	-0.029	-0.011	35.287	-0.008	-0.008	0.000	0.000	0.000	0.000
108	A	112	PRO	0	-0.016	-0.012	37.422	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	113	ASN	0	-0.035	-0.013	39.642	0.005	0.005	0.000	0.000	0.000	0.000
110	A	114	ASP	-1	-0.802	-0.905	34.802	-0.146	-0.146	0.000	0.000	0.000	0.000
111	A	115	LYS	1	0.984	0.975	38.216	0.115	0.115	0.000	0.000	0.000	0.000
112	A	116	GLY	0	0.063	0.049	36.703	0.004	0.004	0.000	0.000	0.000	0.000
113	A	117	ILE	0	-0.023	-0.016	35.482	0.004	0.004	0.000	0.000	0.000	0.000
114	A	118	VAL	0	-0.006	-0.008	38.623	0.006	0.006	0.000	0.000	0.000	0.000
115	A	119	GLU	-1	-0.897	-0.919	40.284	-0.104	-0.104	0.000	0.000	0.000	0.000
116	A	120	VAL	0	0.029	0.011	37.340	0.005	0.005	0.000	0.000	0.000	0.000
117	A	121	LEU	0	-0.023	-0.014	40.810	0.006	0.006	0.000	0.000	0.000	0.000
118	A	122	GLN	0	-0.022	-0.004	43.307	0.005	0.005	0.000	0.000	0.000	0.000
119	A	123	ARG	1	0.818	0.873	39.333	0.101	0.101	0.000	0.000	0.000	0.000
120	A	124	LEU	0	0.025	-0.003	40.044	0.005	0.005	0.000	0.000	0.000	0.000
121	A	125	VAL	0	-0.025	-0.001	44.682	0.004	0.004	0.000	0.000	0.000	0.000
122	A	126	LYS	1	0.916	0.952	48.103	0.059	0.059	0.000	0.000	0.000	0.000
123	A	127	ALA	0	0.021	0.018	45.781	0.003	0.003	0.000	0.000	0.000	0.000
124	A	128	ASN	0	0.028	-0.008	45.958	0.005	0.005	0.000	0.000	0.000	0.000
125	A	129	ASN	0	-0.020	-0.001	48.701	0.003	0.003	0.000	0.000	0.000	0.000
126	A	130	ASP	-1	-0.825	-0.892	51.502	-0.046	-0.046	0.000	0.000	0.000	0.000
127	A	131	LYS	1	0.896	0.968	46.688	0.056	0.056	0.000	0.000	0.000	0.000
128	A	132	ILE	0	0.015	0.020	50.471	0.001	0.001	0.000	0.000	0.000	0.000
129	A	133	LYS	1	0.911	0.944	53.245	0.046	0.046	0.000	0.000	0.000	0.000
130	A	134	GLN	0	0.014	0.023	49.934	0.001	0.001	0.000	0.000	0.000	0.000
131	A	135	THR	0	-0.023	-0.036	49.000	0.001	0.001	0.000	0.000	0.000	0.000
132	A	136	THR	0	-0.023	-0.026	51.804	0.001	0.001	0.000	0.000	0.000	0.000
133	A	137	SER	0	0.004	-0.001	55.290	0.002	0.002	0.000	0.000	0.000	0.000
134	A	138	LEU	0	-0.020	-0.004	48.786	0.001	0.001	0.000	0.000	0.000	0.000
135	A	139	ALA	0	0.026	0.012	53.395	0.001	0.001	0.000	0.000	0.000	0.000
136	A	140	ASN	0	-0.027	-0.010	54.328	0.001	0.001	0.000	0.000	0.000	0.000
137	A	141	LYS	1	0.818	0.910	51.712	0.042	0.042	0.000	0.000	0.000	0.000
138	A	142	VAL	0	0.015	0.007	51.048	0.001	0.001	0.000	0.000	0.000	0.000
139	A	143	THR	0	0.012	-0.009	54.212	0.002	0.002	0.000	0.000	0.000	0.000
140	A	144	ASP	-1	-0.843	-0.930	57.050	-0.022	-0.022	0.000	0.000	0.000	0.000
141	A	145	MET	0	-0.049	-0.012	54.406	0.001	0.001	0.000	0.000	0.000	0.000
142	A	146	GLU	-1	-0.839	-0.912	54.450	-0.019	-0.019	0.000	0.000	0.000	0.000
143	A	147	LYS	1	0.831	0.909	56.509	0.022	0.022	0.000	0.000	0.000	0.000
144	A	148	LEU	0	-0.026	-0.006	60.095	0.001	0.001	0.000	0.000	0.000	0.000
145	A	149	ALA	0	-0.018	0.000	55.525	0.001	0.001	0.000	0.000	0.000	0.000
146	A	150	PHE	0	-0.028	-0.041	51.611	0.001	0.001	0.000	0.000	0.000	0.000
147	A	151	ARG	1	0.821	0.896	57.442	0.018	0.018	0.000	0.000	0.000	0.000
148	A	152	GLY	0	0.034	0.032	60.352	0.001	0.001	0.000	0.000	0.000	0.000
149	A	153	GLU	-1	-0.901	-0.938	62.916	-0.017	-0.017	0.000	0.000	0.000	0.000
150	A	154	ALA	0	-0.001	-0.003	63.398	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	155	LYS	1	0.883	0.924	65.457	0.012	0.012	0.000	0.000	0.000	0.000
152	A	156	ASP	-1	-0.780	-0.886	66.113	-0.016	-0.016	0.000	0.000	0.000	0.000
153	A	157	THR	0	0.008	0.005	61.556	0.000	0.000	0.000	0.000	0.000	0.000
154	A	158	GLU	-1	-0.928	-0.955	61.527	-0.021	-0.021	0.000	0.000	0.000	0.000
155	A	159	GLN	0	-0.013	-0.001	61.221	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	160	LYS	1	0.829	0.910	58.157	0.013	0.013	0.000	0.000	0.000	0.000
157	A	161	MET	0	0.031	0.011	54.837	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	162	THR	0	-0.007	-0.011	56.422	-0.002	-0.002	0.000	0.000	0.000	0.000
159	A	163	ALA	0	-0.009	0.012	56.791	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	164	LEU	0	-0.003	-0.006	53.010	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	165	ASN	0	-0.009	-0.021	52.356	-0.003	-0.003	0.000	0.000	0.000	0.000
162	A	166	ASN	0	0.001	0.000	52.144	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	167	LEU	0	-0.014	-0.011	51.327	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	168	LEU	0	-0.028	-0.004	46.627	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	169	VAL	0	-0.001	-0.005	47.518	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	170	LEU	0	-0.035	-0.007	47.940	-0.003	-0.003	0.000	0.000	0.000	0.000
167	A	171	CYS	0	-0.050	-0.021	44.133	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	172	ARG	1	0.860	0.916	42.820	0.040	0.040	0.000	0.000	0.000	0.000
169	A	173	GLU	-1	-0.865	-0.891	43.665	-0.049	-0.049	0.000	0.000	0.000	0.000
170	A	174	SER	0	0.029	0.005	43.099	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	175	GLU	-1	-0.781	-0.882	37.330	-0.064	-0.064	0.000	0.000	0.000	0.000
172	A	176	SER	0	-0.028	-0.002	41.527	0.002	0.002	0.000	0.000	0.000	0.000
173	A	177	GLY	0	0.014	0.010	44.691	0.003	0.003	0.000	0.000	0.000	0.000
174	A	178	ALA	0	0.048	0.017	42.126	0.004	0.004	0.000	0.000	0.000	0.000
175	A	179	THR	0	-0.080	-0.063	42.369	0.003	0.003	0.000	0.000	0.000	0.000
176	A	180	GLY	0	-0.022	-0.008	44.163	0.003	0.003	0.000	0.000	0.000	0.000
177	A	181	VAL	0	0.031	0.005	47.386	0.003	0.003	0.000	0.000	0.000	0.000
178	A	182	TRP	0	0.043	0.016	41.739	0.002	0.002	0.000	0.000	0.000	0.000
179	A	183	ASN	0	0.006	0.001	46.322	0.002	0.002	0.000	0.000	0.000	0.000
180	A	184	GLN	0	-0.044	-0.030	45.555	0.003	0.003	0.000	0.000	0.000	0.000
181	A	185	GLY	0	0.022	0.011	45.757	0.001	0.001	0.000	0.000	0.000	0.000
182	A	186	ALA	0	-0.036	-0.015	46.492	0.002	0.002	0.000	0.000	0.000	0.000
183	A	187	LEU	0	0.028	0.027	46.209	0.002	0.002	0.000	0.000	0.000	0.000
184	A	188	VAL	0	0.011	0.007	44.735	0.001	0.001	0.000	0.000	0.000	0.000
185	A	189	PRO	0	0.010	-0.002	47.888	0.002	0.002	0.000	0.000	0.000	0.000
186	A	190	PHE	0	-0.003	0.019	51.284	0.002	0.002	0.000	0.000	0.000	0.000
187	A	191	VAL	0	0.052	0.021	47.705	0.001	0.001	0.000	0.000	0.000	0.000
188	A	192	LEU	0	0.009	0.000	47.203	0.002	0.002	0.000	0.000	0.000	0.000
189	A	193	ASN	0	-0.091	-0.046	50.795	0.003	0.003	0.000	0.000	0.000	0.000
190	A	194	LEU	0	0.011	0.012	53.124	0.001	0.001	0.000	0.000	0.000	0.000
191	A	195	ILE	0	-0.026	-0.014	47.863	0.001	0.001	0.000	0.000	0.000	0.000
192	A	196	ASN	0	-0.051	-0.035	51.815	0.003	0.003	0.000	0.000	0.000	0.000
193	A	197	ASP	-1	-0.799	-0.857	54.451	-0.004	-0.004	0.000	0.000	0.000	0.000
194	A	198	ALA	0	-0.005	-0.018	57.141	0.000	0.000	0.000	0.000	0.000	0.000
195	A	199	SER	0	-0.107	-0.062	58.922	0.000	0.000	0.000	0.000	0.000	0.000
196	A	200	GLU	-1	-0.795	-0.886	56.222	-0.013	-0.013	0.000	0.000	0.000	0.000
197	A	201	ASN	0	0.086	0.033	57.054	0.000	0.000	0.000	0.000	0.000	0.000
198	A	202	GLU	-1	-0.779	-0.863	51.422	-0.010	-0.010	0.000	0.000	0.000	0.000
199	A	203	GLU	-1	-0.878	-0.940	52.877	-0.020	-0.020	0.000	0.000	0.000	0.000
200	A	204	VAL	0	0.025	0.016	53.072	-0.002	-0.002	0.000	0.000	0.000	0.000
201	A	205	THR	0	-0.057	-0.036	50.873	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	206	VAL	0	-0.001	-0.002	47.827	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	207	THR	0	-0.038	-0.028	48.362	-0.003	-0.003	0.000	0.000	0.000	0.000
204	A	208	ALA	0	0.013	-0.001	49.021	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	209	ILE	0	-0.009	-0.007	44.703	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	210	ARG	1	0.836	0.890	44.536	0.021	0.021	0.000	0.000	0.000	0.000
207	A	211	ILE	0	-0.002	0.004	44.783	-0.004	-0.004	0.000	0.000	0.000	0.000
208	A	212	LEU	0	-0.009	-0.004	43.325	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	213	ASP	-1	-0.793	-0.890	39.425	-0.040	-0.040	0.000	0.000	0.000	0.000
210	A	214	GLU	-1	-0.785	-0.865	39.829	-0.056	-0.056	0.000	0.000	0.000	0.000
211	A	215	THR	0	-0.057	-0.037	40.092	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	216	ILE	0	-0.026	-0.012	38.389	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	217	LYS	1	0.873	0.922	35.682	0.054	0.054	0.000	0.000	0.000	0.000
214	A	218	ASN	0	-0.035	0.003	34.419	0.000	0.000	0.000	0.000	0.000	0.000
215	A	219	SER	0	0.027	-0.027	31.089	0.006	0.006	0.000	0.000	0.000	0.000
216	A	220	VAL	0	-0.023	-0.005	33.224	0.007	0.007	0.000	0.000	0.000	0.000
217	A	221	ARG	1	0.769	0.864	35.469	0.058	0.058	0.000	0.000	0.000	0.000
218	A	222	CYS	0	-0.027	0.006	34.830	0.007	0.007	0.000	0.000	0.000	0.000
219	A	223	MET	0	0.021	0.012	31.734	0.006	0.006	0.000	0.000	0.000	0.000
220	A	224	LYS	1	0.852	0.931	35.796	0.027	0.027	0.000	0.000	0.000	0.000
221	A	225	PHE	0	0.025	-0.006	39.141	0.004	0.004	0.000	0.000	0.000	0.000
222	A	226	LEU	0	0.016	0.010	34.800	0.004	0.004	0.000	0.000	0.000	0.000
223	A	227	ALA	0	-0.023	-0.001	37.844	0.005	0.005	0.000	0.000	0.000	0.000
224	A	228	MET	0	-0.049	-0.008	39.847	0.000	0.000	0.000	0.000	0.000	0.000
225	A	229	HIS	0	-0.025	-0.012	42.667	0.001	0.001	0.000	0.000	0.000	0.000
226	A	230	ASP	-1	-0.789	-0.889	44.167	0.014	0.014	0.000	0.000	0.000	0.000
227	A	231	PRO	0	-0.010	0.001	43.507	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	232	ASP	-1	-0.854	-0.918	41.694	0.025	0.025	0.000	0.000	0.000	0.000
229	A	233	GLY	0	0.028	-0.001	38.757	0.000	0.000	0.000	0.000	0.000	0.000
230	A	234	PRO	0	-0.039	-0.023	37.878	-0.002	-0.002	0.000	0.000	0.000	0.000
231	A	235	LYS	1	0.849	0.898	39.125	-0.019	-0.019	0.000	0.000	0.000	0.000
232	A	236	SER	0	-0.048	-0.020	40.773	-0.002	-0.002	0.000	0.000	0.000	0.000
233	A	237	VAL	0	0.003	-0.006	36.233	-0.002	-0.002	0.000	0.000	0.000	0.000
234	A	238	ARG	1	0.778	0.864	39.403	-0.029	-0.029	0.000	0.000	0.000	0.000
235	A	239	PHE	0	-0.028	-0.015	41.861	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	240	VAL	0	0.005	0.002	39.438	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	241	CYS	0	-0.031	-0.015	38.308	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	242	ARG	1	0.786	0.854	40.728	-0.023	-0.023	0.000	0.000	0.000	0.000
239	A	243	LEU	0	0.010	0.017	43.847	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	244	MET	0	-0.017	0.000	39.652	0.000	0.000	0.000	0.000	0.000	0.000
241	A	245	CYS	0	-0.039	-0.015	45.324	0.002	0.002	0.000	0.000	0.000	0.000
242	A	246	LYS	1	0.854	0.935	48.105	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	247	LYS	1	0.856	0.948	50.272	0.006	0.006	0.000	0.000	0.000	0.000
244	A	248	SER	0	-0.003	-0.009	50.055	0.000	0.000	0.000	0.000	0.000	0.000
245	A	249	THR	0	-0.043	-0.024	51.082	0.001	0.001	0.000	0.000	0.000	0.000
246	A	250	LYS	1	0.872	0.912	43.558	0.004	0.004	0.000	0.000	0.000	0.000
247	A	251	ASP	-1	-0.770	-0.869	47.005	-0.020	-0.020	0.000	0.000	0.000	0.000
248	A	252	PHE	0	0.045	0.005	46.938	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	253	VAL	0	-0.041	0.003	44.272	0.000	0.000	0.000	0.000	0.000	0.000
250	A	254	ASP	-1	-0.798	-0.885	42.605	-0.008	-0.008	0.000	0.000	0.000	0.000
251	A	255	ALA	0	-0.034	-0.021	41.963	-0.002	-0.002	0.000	0.000	0.000	0.000
252	A	256	THR	0	-0.021	-0.034	42.637	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	257	GLY	0	0.008	0.004	39.962	0.001	0.001	0.000	0.000	0.000	0.000
254	A	258	ILE	0	-0.034	-0.010	37.992	-0.001	-0.001	0.000	0.000	0.000	0.000
255	A	259	LEU	0	0.013	0.012	37.611	-0.003	-0.003	0.000	0.000	0.000	0.000
256	A	260	VAL	0	0.013	0.003	35.297	0.000	0.000	0.000	0.000	0.000	0.000
257	A	261	GLN	0	-0.035	-0.008	31.824	-0.004	-0.004	0.000	0.000	0.000	0.000
258	A	262	ARG	1	0.805	0.889	32.974	0.041	0.041	0.000	0.000	0.000	0.000
259	A	263	VAL	0	0.033	0.005	33.530	-0.003	-0.003	0.000	0.000	0.000	0.000
260	A	264	PHE	0	-0.013	-0.017	29.229	0.001	0.001	0.000	0.000	0.000	0.000
261	A	265	ASN	0	-0.018	-0.013	29.066	0.002	0.002	0.000	0.000	0.000	0.000
262	A	266	ALA	0	0.001	0.006	28.816	-0.007	-0.007	0.000	0.000	0.000	0.000
263	A	267	MET	0	-0.058	-0.021	29.115	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	268	ALA	0	0.022	0.013	24.442	0.007	0.007	0.000	0.000	0.000	0.000
265	A	269	LYS	1	0.849	0.924	24.300	0.102	0.102	0.000	0.000	0.000	0.000
266	A	270	MET	0	-0.010	0.021	24.796	-0.010	-0.010	0.000	0.000	0.000	0.000
267	A	271	ASP	-1	-0.838	-0.956	26.121	-0.065	-0.065	0.000	0.000	0.000	0.000
268	A	272	ARG	1	0.868	0.917	26.544	0.033	0.033	0.000	0.000	0.000	0.000
269	A	273	GLN	0	-0.059	-0.024	28.381	0.001	0.001	0.000	0.000	0.000	0.000
270	A	274	LYS	1	0.887	0.946	28.781	0.094	0.094	0.000	0.000	0.000	0.000
271	A	275	GLU	-1	-0.919	-0.944	24.849	-0.151	-0.151	0.000	0.000	0.000	0.000
272	A	276	MET	0	-0.060	-0.002	23.918	-0.018	-0.018	0.000	0.000	0.000	0.000
273	A	277	LYS	1	0.920	0.934	16.114	0.263	0.263	0.000	0.000	0.000	0.000
274	A	278	PRO	0	-0.012	-0.001	20.309	-0.008	-0.008	0.000	0.000	0.000	0.000
275	A	279	ASP	-1	-0.781	-0.871	20.000	-0.184	-0.184	0.000	0.000	0.000	0.000
276	A	280	PRO	0	-0.002	-0.008	16.143	0.028	0.028	0.000	0.000	0.000	0.000
277	A	281	GLU	-1	-0.724	-0.837	18.516	-0.125	-0.125	0.000	0.000	0.000	0.000
278	A	282	VAL	0	-0.020	-0.012	20.350	0.017	0.017	0.000	0.000	0.000	0.000
279	A	283	ALA	0	0.017	0.012	21.753	0.014	0.014	0.000	0.000	0.000	0.000
280	A	284	GLU	-1	-0.819	-0.881	19.860	0.089	0.089	0.000	0.000	0.000	0.000
281	A	285	ALA	0	-0.016	0.001	22.252	0.012	0.012	0.000	0.000	0.000	0.000
282	A	286	ASN	0	-0.060	-0.049	24.903	0.002	0.002	0.000	0.000	0.000	0.000
283	A	287	LYS	1	0.845	0.904	22.176	-0.076	-0.076	0.000	0.000	0.000	0.000
284	A	288	ILE	0	-0.025	-0.021	26.846	0.005	0.005	0.000	0.000	0.000	0.000
285	A	289	TRP	0	0.018	-0.009	30.226	0.003	0.003	0.000	0.000	0.000	0.000
286	A	290	ILE	0	0.052	0.034	26.502	0.000	0.000	0.000	0.000	0.000	0.000
287	A	291	ILE	0	0.000	0.000	27.633	0.003	0.003	0.000	0.000	0.000	0.000
288	A	292	ARG	1	0.877	0.959	30.541	-0.022	-0.022	0.000	0.000	0.000	0.000
289	A	293	VAL	0	0.054	0.029	32.567	0.001	0.001	0.000	0.000	0.000	0.000
290	A	294	LEU	0	0.016	0.010	27.679	0.001	0.001	0.000	0.000	0.000	0.000
291	A	295	LEU	0	-0.022	-0.003	32.381	0.002	0.002	0.000	0.000	0.000	0.000
292	A	296	GLU	-1	-0.758	-0.875	34.765	0.026	0.026	0.000	0.000	0.000	0.000
293	A	297	LEU	0	0.028	0.003	33.899	-0.001	-0.001	0.000	0.000	0.000	0.000
294	A	298	GLN	0	-0.002	-0.005	33.109	0.005	0.005	0.000	0.000	0.000	0.000
295	A	299	GLU	-1	-0.850	-0.884	36.228	0.035	0.035	0.000	0.000	0.000	0.000
296	A	300	MET	0	-0.008	-0.014	39.649	-0.001	-0.001	0.000	0.000	0.000	0.000
297	A	301	LEU	0	0.004	0.015	35.311	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	302	GLN	0	-0.020	-0.003	39.479	0.001	0.001	0.000	0.000	0.000	0.000
299	A	303	ASP	-1	-0.806	-0.883	42.802	0.024	0.024	0.000	0.000	0.000	0.000
300	A	304	PRO	0	0.040	0.019	45.229	-0.003	-0.003	0.000	0.000	0.000	0.000
301	A	305	LYS	1	0.832	0.912	48.478	-0.021	-0.021	0.000	0.000	0.000	0.000
302	A	306	VAL	0	-0.005	0.011	43.702	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	307	GLY	0	0.031	0.016	47.065	0.002	0.002	0.000	0.000	0.000	0.000
304	A	308	ALA	0	0.046	0.015	46.055	0.000	0.000	0.000	0.000	0.000	0.000
305	A	309	VAL	0	0.028	0.026	44.775	0.000	0.000	0.000	0.000	0.000	0.000
306	A	310	GLN	0	0.013	-0.013	43.425	0.000	0.000	0.000	0.000	0.000	0.000
307	A	311	ARG	1	0.778	0.868	41.581	-0.024	-0.024	0.000	0.000	0.000	0.000
308	A	312	GLU	-1	-0.775	-0.846	40.197	0.011	0.011	0.000	0.000	0.000	0.000
309	A	313	THR	0	0.041	0.014	38.956	0.000	0.000	0.000	0.000	0.000	0.000
310	A	314	CYS	0	-0.049	-0.025	37.422	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	315	ILE	0	0.003	0.003	35.519	0.003	0.003	0.000	0.000	0.000	0.000
312	A	316	ASP	-1	-0.818	-0.893	34.231	0.004	0.004	0.000	0.000	0.000	0.000
313	A	317	LEU	0	-0.048	-0.024	33.662	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	318	PHE	0	-0.031	-0.019	30.564	0.000	0.000	0.000	0.000	0.000	0.000
315	A	319	LEU	0	0.028	0.002	29.471	0.001	0.001	0.000	0.000	0.000	0.000
316	A	320	LYS	1	0.821	0.903	29.127	0.008	0.008	0.000	0.000	0.000	0.000
317	A	321	ASN	0	0.005	-0.003	27.822	-0.006	-0.006	0.000	0.000	0.000	0.000
318	A	322	LEU	0	-0.036	-0.012	25.881	0.000	0.000	0.000	0.000	0.000	0.000
319	A	323	MET	0	0.006	0.011	24.188	0.012	0.012	0.000	0.000	0.000	0.000
320	A	324	HIS	0	0.064	0.053	16.290	0.020	0.020	0.000	0.000	0.000	0.000
321	A	325	MET	0	-0.093	-0.050	16.680	-0.024	-0.024	0.000	0.000	0.000	0.000
322	A	326	ASP	-1	-0.823	-0.881	20.290	-0.054	-0.054	0.000	0.000	0.000	0.000
323	A	327	GLY	0	0.004	0.009	22.079	-0.003	-0.003	0.000	0.000	0.000	0.000
324	A	328	GLY	0	-0.005	0.007	23.293	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	329	ILE	0	0.001	-0.016	22.639	-0.010	-0.010	0.000	0.000	0.000	0.000
326	A	330	PRO	0	0.014	0.003	18.198	0.007	0.007	0.000	0.000	0.000	0.000
327	A	331	ARG	1	0.893	0.932	12.489	-0.154	-0.154	0.000	0.000	0.000	0.000
328	A	332	GLY	0	0.050	0.025	17.725	0.019	0.019	0.000	0.000	0.000	0.000
329	A	333	TRP	0	-0.005	0.002	19.688	0.014	0.014	0.000	0.000	0.000	0.000
330	A	334	SER	0	0.019	-0.019	22.093	0.011	0.011	0.000	0.000	0.000	0.000
331	A	335	TRP	0	-0.010	-0.019	15.156	0.022	0.022	0.000	0.000	0.000	0.000
332	A	336	LYS	1	0.863	0.910	22.757	-0.105	-0.105	0.000	0.000	0.000	0.000
333	A	337	PHE	0	0.003	0.012	24.671	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	338	VAL	0	0.007	-0.007	24.999	-0.007	-0.007	0.000	0.000	0.000	0.000
335	A	339	GLU	-1	-0.856	-0.915	22.317	0.241	0.241	0.000	0.000	0.000	0.000
336	A	340	GLU	-1	-0.822	-0.885	26.728	0.105	0.105	0.000	0.000	0.000	0.000
337	A	341	ARG	1	0.922	0.938	29.785	-0.087	-0.087	0.000	0.000	0.000	0.000
338	A	342	GLY	0	0.079	0.054	31.315	-0.006	-0.006	0.000	0.000	0.000	0.000
339	A	343	LEU	0	-0.004	0.003	29.082	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	344	LEU	0	-0.006	-0.011	31.933	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	345	ALA	0	-0.004	0.012	35.048	-0.004	-0.004	0.000	0.000	0.000	0.000
342	A	346	LEU	0	0.012	0.000	32.542	-0.005	-0.005	0.000	0.000	0.000	0.000
343	A	347	LEU	0	0.028	-0.002	33.730	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	348	ASP	-1	-0.790	-0.841	37.012	0.045	0.045	0.000	0.000	0.000	0.000
345	A	349	VAL	0	0.022	0.022	38.928	-0.004	-0.004	0.000	0.000	0.000	0.000
346	A	350	ALA	0	-0.023	-0.013	37.806	-0.004	-0.004	0.000	0.000	0.000	0.000
347	A	351	SER	0	-0.077	-0.041	39.950	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	352	GLN	0	-0.025	-0.024	43.013	-0.004	-0.004	0.000	0.000	0.000	0.000
349	A	353	ILE	0	-0.002	-0.013	45.202	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	354	PRO	0	-0.035	-0.019	47.978	0.000	0.000	0.000	0.000	0.000	0.000
351	A	355	GLU	-1	-0.893	-0.959	50.955	0.019	0.019	0.000	0.000	0.000	0.000
352	A	356	LEU	0	-0.053	-0.023	51.040	0.000	0.000	0.000	0.000	0.000	0.000
353	A	357	CYS	0	-0.045	-0.005	48.405	0.001	0.001	0.000	0.000	0.000	0.000
354	A	358	GLU	-1	-0.836	-0.901	46.860	0.040	0.040	0.000	0.000	0.000	0.000
355	A	359	TYR	0	-0.057	-0.066	42.615	-0.002	-0.002	0.000	0.000	0.000	0.000
356	A	360	PRO	0	-0.038	0.000	47.850	0.000	0.000	0.000	0.000	0.000	0.000
357	A	361	VAL	0	0.044	0.013	44.790	0.000	0.000	0.000	0.000	0.000	0.000
358	A	362	SER	0	-0.033	-0.048	46.096	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	363	ALA	0	0.029	0.002	46.794	0.002	0.002	0.000	0.000	0.000	0.000
360	A	364	GLU	-1	-0.840	-0.930	43.544	0.000	0.000	0.000	0.000	0.000	0.000
361	A	365	THR	0	-0.050	-0.050	41.925	0.000	0.000	0.000	0.000	0.000	0.000
362	A	366	ARG	1	0.901	0.955	40.953	-0.027	-0.027	0.000	0.000	0.000	0.000
363	A	367	GLN	0	0.026	0.003	39.588	0.005	0.005	0.000	0.000	0.000	0.000
364	A	368	HIS	1	0.792	0.862	37.682	-0.003	-0.003	0.000	0.000	0.000	0.000
365	A	369	VAL	0	0.035	0.007	36.205	0.001	0.001	0.000	0.000	0.000	0.000
366	A	370	ALA	0	0.009	0.021	35.156	0.004	0.004	0.000	0.000	0.000	0.000
367	A	371	ILE	0	0.010	-0.004	33.233	0.004	0.004	0.000	0.000	0.000	0.000
368	A	372	CYS	0	-0.065	-0.007	31.531	0.003	0.003	0.000	0.000	0.000	0.000
369	A	373	LEU	0	0.009	-0.007	30.416	0.006	0.006	0.000	0.000	0.000	0.000
370	A	374	GLN	0	-0.064	-0.022	29.551	0.002	0.002	0.000	0.000	0.000	0.000
371	A	375	ARG	0	0.055	0.031	26.058	0.009	0.009	0.000	0.000	0.000	0.000
372	A	376	LEU	0	-0.015	-0.027	25.715	0.006	0.006	0.000	0.000	0.000	0.000
373	A	377	GLU	-1	-0.850	-0.899	25.383	0.123	0.123	0.000	0.000	0.000	0.000
374	A	378	GLU	-1	-0.817	-0.915	23.817	0.031	0.031	0.000	0.000	0.000	0.000
375	A	379	ASP	-1	-0.787	-0.869	21.145	0.065	0.065	0.000	0.000	0.000	0.000
376	A	380	MET	0	-0.040	-0.013	20.595	0.027	0.027	0.000	0.000	0.000	0.000
377	A	381	VAL	0	-0.057	-0.038	16.628	0.041	0.041	0.000	0.000	0.000	0.000
378	A	382	PHE	0	0.027	0.020	11.717	0.034	0.034	0.000	0.000	0.000	0.000
379	A	383	ASP	-1	-0.853	-0.916	17.074	0.363	0.363	0.000	0.000	0.000	0.000
380	A	384	THR	0	-0.035	-0.006	16.901	-0.034	-0.034	0.000	0.000	0.000	0.000
381	A	385	LYS	1	0.895	0.928	18.739	-0.307	-0.307	0.000	0.000	0.000	0.000
382	A	386	ARG	1	0.825	0.894	20.670	-0.177	-0.177	0.000	0.000	0.000	0.000
383	A	387	THR	0	-0.030	-0.025	22.451	-0.023	-0.023	0.000	0.000	0.000	0.000
384	A	388	ILE	0	0.013	0.008	22.311	-0.020	-0.020	0.000	0.000	0.000	0.000
385	A	389	PHE	0	-0.006	-0.006	25.186	-0.018	-0.018	0.000	0.000	0.000	0.000
386	A	390	LYS	1	0.832	0.879	27.034	-0.140	-0.140	0.000	0.000	0.000	0.000
387	A	391	GLU	-1	-0.926	-0.956	27.357	0.179	0.179	0.000	0.000	0.000	0.000
388	A	392	LYS	1	0.860	0.932	27.654	-0.162	-0.162	0.000	0.000	0.000	0.000
389	A	393	VAL	0	-0.017	-0.001	31.299	-0.010	-0.010	0.000	0.000	0.000	0.000
390	A	394	ASP	-1	-0.768	-0.855	32.870	0.111	0.111	0.000	0.000	0.000	0.000
391	A	395	MET	0	-0.045	-0.011	34.065	-0.006	-0.006	0.000	0.000	0.000	0.000
392	A	396	PHE	0	-0.014	-0.008	35.662	-0.005	-0.005	0.000	0.000	0.000	0.000
393	A	397	PHE	0	0.043	0.013	37.285	-0.006	-0.006	0.000	0.000	0.000	0.000
394	A	398	ASN	0	-0.031	-0.037	37.446	-0.007	-0.007	0.000	0.000	0.000	0.000
395	A	399	ALA	0	-0.001	0.009	40.002	-0.004	-0.004	0.000	0.000	0.000	0.000
396	A	400	LEU	0	0.026	0.022	41.713	-0.005	-0.005	0.000	0.000	0.000	0.000
397	A	401	ILE	0	0.058	0.027	43.074	-0.004	-0.004	0.000	0.000	0.000	0.000
398	A	402	SER	0	-0.042	-0.024	44.472	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	403	ARG	1	0.807	0.899	44.267	-0.061	-0.061	0.000	0.000	0.000	0.000
400	A	404	CYS	0	-0.067	0.008	47.346	-0.003	-0.003	0.000	0.000	0.000	0.000
401	A	405	THR	0	-0.037	-0.042	50.107	0.000	0.000	0.000	0.000	0.000	0.000
402	A	406	ASN	0	-0.009	-0.017	53.590	-0.002	-0.002	0.000	0.000	0.000	0.000
403	A	407	ASP	-1	-0.791	-0.869	56.447	0.038	0.038	0.000	0.000	0.000	0.000
404	A	408	ASP	-1	-0.893	-0.955	56.794	0.030	0.030	0.000	0.000	0.000	0.000
405	A	409	GLU	-1	-0.817	-0.875	53.259	0.039	0.039	0.000	0.000	0.000	0.000
406	A	410	GLY	0	0.005	0.001	52.691	0.001	0.001	0.000	0.000	0.000	0.000
407	A	411	HIS	0	0.023	-0.016	52.112	0.003	0.003	0.000	0.000	0.000	0.000
408	A	412	LYS	1	0.874	0.926	51.635	-0.036	-0.036	0.000	0.000	0.000	0.000
409	A	413	TYR	0	-0.050	-0.040	47.469	0.002	0.002	0.000	0.000	0.000	0.000
410	A	414	ARG	1	0.793	0.873	47.575	-0.039	-0.039	0.000	0.000	0.000	0.000
411	A	415	ILE	0	0.029	0.010	48.422	0.000	0.000	0.000	0.000	0.000	0.000
412	A	416	LYS	1	0.813	0.902	44.411	-0.045	-0.045	0.000	0.000	0.000	0.000
413	A	417	LEU	0	-0.024	-0.015	42.910	0.001	0.001	0.000	0.000	0.000	0.000
414	A	418	SER	0	0.002	-0.002	43.576	0.002	0.002	0.000	0.000	0.000	0.000
415	A	419	CYS	0	-0.021	-0.006	44.189	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	420	PHE	0	0.028	0.006	36.580	0.000	0.000	0.000	0.000	0.000	0.000
417	A	421	LEU	0	-0.013	0.001	39.323	0.001	0.001	0.000	0.000	0.000	0.000
418	A	422	ILE	0	-0.032	-0.010	40.041	0.000	0.000	0.000	0.000	0.000	0.000
419	A	423	THR	0	-0.030	-0.033	37.927	-0.004	-0.004	0.000	0.000	0.000	0.000
420	A	424	MET	0	-0.032	-0.011	32.816	-0.002	-0.002	0.000	0.000	0.000	0.000
421	A	425	LEU	0	-0.062	-0.025	35.561	0.002	0.002	0.000	0.000	0.000	0.000
422	A	426	GLN	0	-0.027	-0.018	37.366	-0.003	-0.003	0.000	0.000	0.000	0.000
423	A	427	GLY	0	0.061	0.041	34.379	-0.005	-0.005	0.000	0.000	0.000	0.000
424	A	428	PRO	0	-0.028	0.010	30.272	-0.003	-0.003	0.000	0.000	0.000	0.000
425	A	429	VAL	0	0.025	0.009	31.633	0.009	0.009	0.000	0.000	0.000	0.000
426	A	430	ASP	-1	-0.843	-0.911	30.523	0.080	0.080	0.000	0.000	0.000	0.000
427	A	431	ILE	0	0.000	0.000	28.091	0.006	0.006	0.000	0.000	0.000	0.000
428	A	432	GLY	0	0.039	0.023	32.193	0.002	0.002	0.000	0.000	0.000	0.000
429	A	433	ILE	0	0.022	-0.009	35.071	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	434	ASN	0	-0.071	-0.038	33.357	0.001	0.001	0.000	0.000	0.000	0.000
431	A	435	LEU	0	-0.025	0.004	35.400	0.006	0.006	0.000	0.000	0.000	0.000
432	A	436	ILE	0	0.019	0.016	38.018	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	437	THR	0	-0.060	-0.016	37.838	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	438	ASN	0	-0.015	-0.021	39.871	0.003	0.003	0.000	0.000	0.000	0.000
435	A	439	ASP	-1	-0.853	-0.913	41.935	0.055	0.055	0.000	0.000	0.000	0.000
436	A	440	GLN	0	0.006	0.002	42.936	-0.004	-0.004	0.000	0.000	0.000	0.000
437	A	441	LEU	0	0.013	-0.001	43.543	-0.003	-0.003	0.000	0.000	0.000	0.000
438	A	442	THR	0	0.006	0.004	46.195	-0.004	-0.004	0.000	0.000	0.000	0.000
439	A	443	PRO	0	-0.002	0.004	48.680	-0.003	-0.003	0.000	0.000	0.000	0.000
440	A	444	ILE	0	0.039	0.025	48.563	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	445	MET	0	-0.016	-0.003	48.633	-0.003	-0.003	0.000	0.000	0.000	0.000
442	A	446	LEU	0	0.001	-0.019	50.663	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	447	GLU	-1	-0.863	-0.903	53.972	0.038	0.038	0.000	0.000	0.000	0.000
444	A	448	MET	0	-0.026	-0.019	50.001	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	449	ALA	0	-0.046	-0.025	54.157	-0.002	-0.002	0.000	0.000	0.000	0.000
446	A	450	ALA	0	-0.031	-0.018	55.915	-0.002	-0.002	0.000	0.000	0.000	0.000
447	A	451	SER	0	0.011	0.019	58.051	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	452	GLN	0	-0.024	-0.021	59.839	-0.002	-0.002	0.000	0.000	0.000	0.000
449	A	453	ASP	-1	-0.802	-0.884	57.049	0.024	0.024	0.000	0.000	0.000	0.000
450	A	454	HIS	0	0.035	0.002	58.554	0.001	0.001	0.000	0.000	0.000	0.000
451	A	455	LEU	0	-0.004	0.013	52.885	0.000	0.000	0.000	0.000	0.000	0.000
452	A	456	MET	0	-0.052	-0.019	53.602	0.001	0.001	0.000	0.000	0.000	0.000
453	A	457	GLN	0	-0.002	-0.009	54.013	0.000	0.000	0.000	0.000	0.000	0.000
454	A	458	GLY	0	0.020	0.011	54.530	0.000	0.000	0.000	0.000	0.000	0.000
455	A	459	ILE	0	-0.015	-0.021	49.600	0.000	0.000	0.000	0.000	0.000	0.000
456	A	460	ALA	0	0.017	0.016	49.478	0.002	0.002	0.000	0.000	0.000	0.000
457	A	461	ALA	0	-0.001	-0.012	50.217	0.001	0.001	0.000	0.000	0.000	0.000
458	A	462	GLU	-1	-0.783	-0.880	46.879	0.023	0.023	0.000	0.000	0.000	0.000
459	A	463	LEU	0	0.012	0.022	44.102	0.000	0.000	0.000	0.000	0.000	0.000
460	A	464	ILE	0	-0.017	-0.002	45.214	0.002	0.002	0.000	0.000	0.000	0.000
461	A	465	VAL	0	-0.001	-0.010	46.341	0.000	0.000	0.000	0.000	0.000	0.000
462	A	466	ALA	0	-0.016	-0.002	42.335	-0.002	-0.002	0.000	0.000	0.000	0.000
463	A	467	THR	0	-0.008	-0.025	41.941	0.002	0.002	0.000	0.000	0.000	0.000
464	A	468	VAL	0	-0.079	-0.035	42.340	0.001	0.001	0.000	0.000	0.000	0.000
465	A	469	SER	0	-0.013	0.001	38.769	0.001	0.001	0.000	0.000	0.000	0.000
466	A	470	LYS	1	0.910	0.943	34.024	-0.038	-0.038	0.000	0.000	0.000	0.000
467	A	471	HIS	0	0.009	0.017	35.362	-0.006	-0.006	0.000	0.000	0.000	0.000
468	A	472	GLU	-1	-0.856	-0.935	39.791	0.042	0.042	0.000	0.000	0.000	0.000
469	A	473	ARG	1	0.775	0.868	32.894	-0.082	-0.082	0.000	0.000	0.000	0.000
470	A	474	ALA	0	0.050	0.012	39.331	0.003	0.003	0.000	0.000	0.000	0.000
471	A	475	ILE	0	-0.007	-0.005	41.181	-0.002	-0.002	0.000	0.000	0.000	0.000
472	A	476	ASN	0	-0.044	-0.027	43.943	-0.004	-0.004	0.000	0.000	0.000	0.000
473	A	477	MET	0	0.058	0.042	44.498	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	478	LEU	0	0.047	0.020	44.233	-0.003	-0.003	0.000	0.000	0.000	0.000
475	A	479	LYS	1	0.872	0.945	47.855	-0.035	-0.035	0.000	0.000	0.000	0.000
476	A	480	VAL	0	-0.005	0.001	50.139	-0.002	-0.002	0.000	0.000	0.000	0.000
477	A	481	GLY	0	0.081	0.034	50.079	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	482	ILE	0	0.012	-0.002	48.345	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	483	PRO	0	-0.089	-0.055	52.216	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	484	VAL	0	0.033	0.027	53.713	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	485	LEU	0	0.003	0.019	50.767	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	486	ARG	1	0.901	0.945	54.623	-0.021	-0.021	0.000	0.000	0.000	0.000
483	A	487	ALA	0	0.017	0.022	58.273	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	488	LEU	0	0.017	0.006	54.882	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	489	TYR	0	-0.038	-0.012	57.487	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	490	ASP	-1	-0.876	-0.937	59.478	0.013	0.013	0.000	0.000	0.000	0.000
487	A	491	SER	0	-0.031	-0.005	61.330	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	492	GLU	-1	-0.912	-0.964	63.290	0.012	0.012	0.000	0.000	0.000	0.000
489	A	493	ASP	-1	-0.795	-0.861	60.453	0.014	0.014	0.000	0.000	0.000	0.000
490	A	494	PRO	0	-0.020	-0.015	61.152	0.000	0.000	0.000	0.000	0.000	0.000
491	A	495	THR	0	-0.077	-0.068	57.020	0.000	0.000	0.000	0.000	0.000	0.000
492	A	496	VAL	0	0.026	0.022	56.200	0.001	0.001	0.000	0.000	0.000	0.000
493	A	497	LYS	1	0.792	0.892	56.878	-0.012	-0.012	0.000	0.000	0.000	0.000
494	A	498	VAL	0	-0.045	-0.031	55.248	0.000	0.000	0.000	0.000	0.000	0.000
495	A	499	ARG	1	0.799	0.887	50.921	-0.018	-0.018	0.000	0.000	0.000	0.000
496	A	500	ALA	0	0.043	0.022	52.461	0.001	0.001	0.000	0.000	0.000	0.000
497	A	501	LEU	0	-0.072	-0.028	54.734	0.000	0.000	0.000	0.000	0.000	0.000
498	A	502	VAL	0	0.035	0.018	48.965	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	503	GLY	0	0.052	0.019	48.909	0.002	0.002	0.000	0.000	0.000	0.000
500	A	504	LEU	0	-0.058	-0.031	49.958	0.000	0.000	0.000	0.000	0.000	0.000
501	A	505	CYS	0	-0.081	-0.041	51.924	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	506	LYS	1	0.796	0.932	43.473	-0.021	-0.021	0.000	0.000	0.000	0.000
503	A	507	ILE	0	-0.002	0.007	47.193	0.001	0.001	0.000	0.000	0.000	0.000
504	A	525	VAL	0	0.041	0.004	56.261	0.000	0.000	0.000	0.000	0.000	0.000
505	A	526	ILE	0	0.070	0.027	57.198	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	527	SER	0	-0.010	-0.008	59.884	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	528	LEU	0	0.055	0.044	55.024	0.000	0.000	0.000	0.000	0.000	0.000
508	A	529	ALA	0	0.103	0.059	57.737	0.000	0.000	0.000	0.000	0.000	0.000
509	A	530	LYS	1	0.893	0.944	58.661	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	531	THR	0	-0.064	-0.026	60.166	0.000	0.000	0.000	0.000	0.000	0.000
511	A	532	CYS	0	0.008	0.003	56.002	0.000	0.000	0.000	0.000	0.000	0.000
512	A	533	LYS	1	0.889	0.940	58.087	0.003	0.003	0.000	0.000	0.000	0.000
513	A	534	LYS	1	0.905	0.955	60.270	-0.004	-0.004	0.000	0.000	0.000	0.000
514	A	535	PHE	0	0.036	0.005	58.963	0.000	0.000	0.000	0.000	0.000	0.000
515	A	536	LEU	0	-0.032	-0.016	55.322	0.000	0.000	0.000	0.000	0.000	0.000
516	A	537	LEU	0	0.006	0.001	59.506	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	538	GLU	-1	-0.818	-0.865	62.979	0.001	0.001	0.000	0.000	0.000	0.000
518	A	539	THR	0	0.011	-0.030	61.969	0.001	0.001	0.000	0.000	0.000	0.000
519	A	540	GLU	-1	-0.947	-0.963	62.768	0.000	0.000	0.000	0.000	0.000	0.000
520	A	541	LYS	1	0.773	0.873	65.005	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	542	TYR	0	0.035	0.032	60.601	0.001	0.001	0.000	0.000	0.000	0.000
522	A	543	SER	0	0.058	0.019	58.241	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	544	VAL	0	0.051	0.008	54.791	0.000	0.000	0.000	0.000	0.000	0.000
524	A	545	ASP	-1	-0.774	-0.871	51.622	0.012	0.012	0.000	0.000	0.000	0.000
525	A	546	ILE	0	0.019	0.014	53.621	0.000	0.000	0.000	0.000	0.000	0.000
526	A	547	ARG	1	0.831	0.910	55.389	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	548	ARG	1	0.852	0.941	46.818	-0.013	-0.013	0.000	0.000	0.000	0.000
528	A	549	TYR	0	-0.002	-0.019	48.229	-0.001	-0.001	0.000	0.000	0.000	0.000
529	A	550	ALA	0	-0.022	-0.010	51.958	0.000	0.000	0.000	0.000	0.000	0.000
530	A	551	CYS	0	-0.035	-0.020	50.578	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	552	GLU	-1	-0.815	-0.897	46.310	0.013	0.013	0.000	0.000	0.000	0.000
532	A	553	GLY	0	0.001	-0.001	49.325	0.000	0.000	0.000	0.000	0.000	0.000
533	A	554	LEU	0	0.015	-0.021	51.630	0.000	0.000	0.000	0.000	0.000	0.000
534	A	555	SER	0	-0.048	-0.016	47.179	-0.002	-0.002	0.000	0.000	0.000	0.000
535	A	556	TYR	0	-0.042	-0.055	44.036	-0.001	-0.001	0.000	0.000	0.000	0.000
536	A	557	LEU	0	-0.019	-0.008	48.456	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	558	SER	0	-0.025	-0.010	49.878	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	559	LEU	0	-0.011	-0.009	45.293	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	560	ASP	-1	-0.835	-0.938	49.043	-0.006	-0.006	0.000	0.000	0.000	0.000
540	A	561	ALA	0	0.030	0.013	51.941	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	562	ASP	-1	-0.861	-0.917	53.868	-0.008	-0.008	0.000	0.000	0.000	0.000
542	A	563	VAL	0	-0.039	-0.028	53.987	0.000	0.000	0.000	0.000	0.000	0.000
543	A	564	LYS	1	0.825	0.916	49.237	0.013	0.013	0.000	0.000	0.000	0.000
544	A	565	GLU	-1	-0.773	-0.887	55.022	-0.014	-0.014	0.000	0.000	0.000	0.000
545	A	566	TRP	0	-0.054	-0.030	58.423	0.001	0.001	0.000	0.000	0.000	0.000
546	A	567	ILE	0	-0.065	-0.036	54.404	0.001	0.001	0.000	0.000	0.000	0.000
547	A	568	VAL	0	0.018	0.007	55.828	0.000	0.000	0.000	0.000	0.000	0.000
548	A	569	ASP	-1	-0.864	-0.898	58.908	-0.011	-0.011	0.000	0.000	0.000	0.000
549	A	570	ASP	-1	-0.856	-0.920	61.580	-0.004	-0.004	0.000	0.000	0.000	0.000
550	A	571	SER	0	0.064	0.007	61.607	0.000	0.000	0.000	0.000	0.000	0.000
551	A	572	LEU	0	-0.047	-0.018	62.261	0.000	0.000	0.000	0.000	0.000	0.000
552	A	573	LEU	0	-0.014	-0.013	57.689	0.001	0.001	0.000	0.000	0.000	0.000
553	A	574	LEU	0	0.028	0.025	56.393	0.000	0.000	0.000	0.000	0.000	0.000
554	A	575	LYS	1	0.828	0.884	57.811	0.011	0.011	0.000	0.000	0.000	0.000
555	A	576	ALA	0	-0.029	-0.009	59.461	0.000	0.000	0.000	0.000	0.000	0.000
556	A	577	LEU	0	-0.012	-0.008	53.438	0.001	0.001	0.000	0.000	0.000	0.000
557	A	578	VAL	0	0.011	0.010	54.448	0.000	0.000	0.000	0.000	0.000	0.000
558	A	579	LEU	0	-0.062	-0.026	55.563	0.000	0.000	0.000	0.000	0.000	0.000
559	A	580	LEU	0	-0.009	-0.009	52.464	0.000	0.000	0.000	0.000	0.000	0.000
560	A	581	ALA	0	0.046	0.015	51.209	0.001	0.001	0.000	0.000	0.000	0.000
561	A	582	LYS	1	0.894	0.948	51.893	0.014	0.014	0.000	0.000	0.000	0.000
562	A	583	LYS	1	0.881	0.946	54.190	0.003	0.003	0.000	0.000	0.000	0.000
563	A	584	ALA	0	-0.001	0.008	50.991	0.002	0.002	0.000	0.000	0.000	0.000
564	A	585	GLY	0	0.045	0.032	48.343	0.001	0.001	0.000	0.000	0.000	0.000
565	A	586	ALA	0	0.029	0.003	42.886	0.000	0.000	0.000	0.000	0.000	0.000
566	A	587	LEU	0	-0.034	-0.004	44.289	0.002	0.002	0.000	0.000	0.000	0.000
567	A	588	CYS	0	-0.052	-0.026	46.835	0.002	0.002	0.000	0.000	0.000	0.000
568	A	589	VAL	0	0.019	0.035	41.883	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	590	TYR	0	0.049	0.011	37.537	-0.003	-0.003	0.000	0.000	0.000	0.000
570	A	591	THR	0	0.010	0.032	42.791	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	592	LEU	0	0.079	0.034	46.373	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	593	ALA	0	0.012	0.016	43.429	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	594	THR	0	-0.005	-0.010	43.414	-0.003	-0.003	0.000	0.000	0.000	0.000
574	A	595	ILE	0	-0.035	-0.004	45.126	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	596	TYR	0	0.040	0.003	47.914	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	597	ALA	0	0.042	0.039	44.112	-0.002	-0.002	0.000	0.000	0.000	0.000
577	A	598	ASN	0	-0.035	-0.029	45.279	-0.004	-0.004	0.000	0.000	0.000	0.000
578	A	599	LEU	0	-0.052	-0.031	47.799	0.000	0.000	0.000	0.000	0.000	0.000
579	A	600	SER	0	0.004	-0.007	48.406	0.000	0.000	0.000	0.000	0.000	0.000
580	A	601	ASN	0	-0.070	-0.027	47.306	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	602	ALA	0	0.065	0.045	44.314	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	603	PHE	0	-0.032	-0.007	39.043	-0.003	-0.003	0.000	0.000	0.000	0.000
583	A	604	GLU	-1	-0.784	-0.869	37.481	-0.052	-0.052	0.000	0.000	0.000	0.000
584	A	605	LYN	0	0.026	0.000	38.499	0.002	0.002	0.000	0.000	0.000	0.000
585	A	606	PRO	0	-0.024	0.005	35.542	-0.003	-0.003	0.000	0.000	0.000	0.000
586	A	607	LYS	1	0.863	0.913	37.650	0.032	0.032	0.000	0.000	0.000	0.000
587	A	618	PHE	0	0.032	0.018	49.332	0.000	0.000	0.000	0.000	0.000	0.000
588	A	619	ALA	0	-0.008	-0.015	49.553	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	620	LYS	1	0.969	0.959	50.654	0.006	0.006	0.000	0.000	0.000	0.000
590	A	621	HIS	0	-0.006	-0.013	48.070	-0.002	-0.002	0.000	0.000	0.000	0.000
591	A	622	HIS	0	0.051	0.046	50.639	0.001	0.001	0.000	0.000	0.000	0.000
592	A	623	VAL	0	0.004	0.007	52.430	0.000	0.000	0.000	0.000	0.000	0.000
593	A	624	PRO	0	-0.036	-0.022	50.489	0.000	0.000	0.000	0.000	0.000	0.000
594	A	625	GLU	-1	-0.834	-0.896	48.197	-0.025	-0.025	0.000	0.000	0.000	0.000
595	A	626	THR	0	-0.014	0.006	51.362	0.000	0.000	0.000	0.000	0.000	0.000
596	A	627	HIS	1	0.883	0.924	53.177	0.007	0.007	0.000	0.000	0.000	0.000
597	A	628	PRO	0	0.001	0.008	55.764	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	629	LYS	1	0.934	0.963	56.153	0.010	0.010	0.000	0.000	0.000	0.000
599	A	630	ASP	-1	-0.788	-0.880	51.210	-0.015	-0.015	0.000	0.000	0.000	0.000
600	A	631	THR	0	-0.065	-0.038	51.414	-0.002	-0.002	0.000	0.000	0.000	0.000
601	A	632	GLU	-1	-0.885	-0.953	53.625	-0.023	-0.023	0.000	0.000	0.000	0.000
602	A	633	GLU	-1	-0.882	-0.942	55.161	-0.019	-0.019	0.000	0.000	0.000	0.000
603	A	634	TYR	0	0.026	0.023	56.792	0.001	0.001	0.000	0.000	0.000	0.000
604	A	635	VAL	0	-0.044	-0.013	50.845	0.001	0.001	0.000	0.000	0.000	0.000
605	A	636	GLU	-1	-0.783	-0.868	54.128	-0.027	-0.027	0.000	0.000	0.000	0.000
606	A	637	LYS	1	0.769	0.868	56.089	0.014	0.014	0.000	0.000	0.000	0.000
607	A	638	ARG	1	0.761	0.855	51.434	0.018	0.018	0.000	0.000	0.000	0.000
608	A	639	VAL	0	0.022	0.009	51.664	0.001	0.001	0.000	0.000	0.000	0.000
609	A	640	ARG	1	0.760	0.823	54.505	0.026	0.026	0.000	0.000	0.000	0.000
610	A	641	ALA	0	0.009	0.011	57.731	0.000	0.000	0.000	0.000	0.000	0.000
611	A	642	LEU	0	-0.061	-0.040	52.207	0.001	0.001	0.000	0.000	0.000	0.000
612	A	643	VAL	0	0.008	0.011	53.837	0.000	0.000	0.000	0.000	0.000	0.000
613	A	644	GLU	-1	-0.869	-0.911	56.276	-0.020	-0.020	0.000	0.000	0.000	0.000
614	A	645	GLU	-1	-0.780	-0.846	58.625	-0.011	-0.011	0.000	0.000	0.000	0.000
615	A	646	GLY	0	-0.015	-0.008	56.767	0.001	0.001	0.000	0.000	0.000	0.000
616	A	647	ALA	0	0.064	0.041	52.104	-0.002	-0.002	0.000	0.000	0.000	0.000
617	A	648	VAL	0	0.057	0.030	49.645	0.000	0.000	0.000	0.000	0.000	0.000
618	A	649	PRO	0	-0.023	-0.027	50.716	0.000	0.000	0.000	0.000	0.000	0.000
619	A	650	ALA	0	-0.041	-0.011	51.660	0.002	0.002	0.000	0.000	0.000	0.000
620	A	651	CYS	0	-0.020	-0.014	46.921	0.001	0.001	0.000	0.000	0.000	0.000
621	A	652	VAL	0	0.017	0.004	46.674	0.000	0.000	0.000	0.000	0.000	0.000
622	A	653	ALA	0	-0.028	0.006	47.250	0.000	0.000	0.000	0.000	0.000	0.000
623	A	654	VAL	0	0.006	-0.007	45.542	0.001	0.001	0.000	0.000	0.000	0.000
624	A	655	SER	0	-0.041	-0.016	43.035	0.000	0.000	0.000	0.000	0.000	0.000
625	A	656	LYS	1	0.897	0.962	41.797	0.013	0.013	0.000	0.000	0.000	0.000
626	A	657	THR	0	0.034	0.016	39.087	0.004	0.004	0.000	0.000	0.000	0.000
627	A	658	GLU	-1	-0.820	-0.892	34.357	-0.013	-0.013	0.000	0.000	0.000	0.000
628	A	659	SER	0	-0.007	-0.003	34.172	0.002	0.002	0.000	0.000	0.000	0.000
629	A	660	LYS	1	0.851	0.898	28.581	-0.007	-0.007	0.000	0.000	0.000	0.000
630	A	661	ASN	0	-0.011	-0.036	32.701	0.000	0.000	0.000	0.000	0.000	0.000
631	A	662	ALA	0	-0.013	-0.003	35.713	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	663	LEU	0	0.003	0.009	36.216	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	664	GLU	-1	-0.806	-0.888	34.867	-0.038	-0.038	0.000	0.000	0.000	0.000
634	A	665	LEU	0	-0.005	0.006	37.748	-0.002	-0.002	0.000	0.000	0.000	0.000
635	A	666	ILE	0	0.011	0.020	41.136	0.000	0.000	0.000	0.000	0.000	0.000
636	A	667	ALA	0	0.003	0.000	39.365	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	668	ARG	1	0.711	0.824	36.579	0.038	0.038	0.000	0.000	0.000	0.000
638	A	669	SER	0	-0.009	-0.020	42.359	0.001	0.001	0.000	0.000	0.000	0.000
639	A	670	LEU	0	-0.020	-0.017	44.211	0.000	0.000	0.000	0.000	0.000	0.000
640	A	671	LEU	0	-0.049	-0.015	41.270	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	672	ALA	0	0.013	0.006	45.150	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	673	PHE	0	0.003	-0.015	47.769	0.001	0.001	0.000	0.000	0.000	0.000
643	A	674	ALA	0	-0.023	-0.010	48.006	0.001	0.001	0.000	0.000	0.000	0.000
644	A	675	GLU	-1	-0.830	-0.902	48.377	-0.043	-0.043	0.000	0.000	0.000	0.000
645	A	676	TYR	0	-0.035	-0.014	51.152	0.000	0.000	0.000	0.000	0.000	0.000
646	A	677	GLU	-1	-0.786	-0.895	54.407	-0.039	-0.039	0.000	0.000	0.000	0.000
647	A	678	ASP	-1	-0.815	-0.863	56.235	-0.028	-0.028	0.000	0.000	0.000	0.000
648	A	679	LEU	0	0.028	0.019	54.427	0.000	0.000	0.000	0.000	0.000	0.000
649	A	680	ARG	1	0.794	0.873	51.243	0.042	0.042	0.000	0.000	0.000	0.000
650	A	681	GLY	0	-0.016	-0.005	54.303	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	682	ARG	1	0.715	0.817	56.846	0.022	0.022	0.000	0.000	0.000	0.000
652	A	683	ILE	0	0.040	0.020	50.785	0.000	0.000	0.000	0.000	0.000	0.000
653	A	684	ILE	0	-0.033	-0.001	51.474	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	685	ALA	0	0.003	0.004	52.706	0.000	0.000	0.000	0.000	0.000	0.000
655	A	686	GLU	-1	-0.874	-0.917	53.833	-0.022	-0.022	0.000	0.000	0.000	0.000
656	A	687	GLY	0	0.003	0.002	50.596	0.001	0.001	0.000	0.000	0.000	0.000
657	A	688	GLY	0	0.028	0.021	48.540	-0.002	-0.002	0.000	0.000	0.000	0.000
658	A	689	THR	0	0.022	0.013	46.638	-0.001	-0.001	0.000	0.000	0.000	0.000
659	A	690	VAL	0	-0.002	-0.008	45.132	-0.003	-0.003	0.000	0.000	0.000	0.000
660	A	691	LEU	0	-0.013	0.001	43.744	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	692	CYS	0	0.004	-0.004	42.411	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	693	LEU	0	0.021	0.016	40.157	-0.004	-0.004	0.000	0.000	0.000	0.000
663	A	694	ARG	1	0.759	0.816	39.470	0.029	0.029	0.000	0.000	0.000	0.000
664	A	695	LEU	0	-0.028	-0.006	38.122	-0.002	-0.002	0.000	0.000	0.000	0.000
665	A	696	THR	0	0.013	0.006	35.848	-0.003	-0.003	0.000	0.000	0.000	0.000
666	A	697	LYS	1	0.831	0.915	34.367	0.057	0.057	0.000	0.000	0.000	0.000
667	A	698	GLU	-1	-0.828	-0.885	33.299	-0.041	-0.041	0.000	0.000	0.000	0.000
668	A	699	ALA	0	-0.012	0.007	33.874	0.004	0.004	0.000	0.000	0.000	0.000
669	A	700	SER	0	0.026	0.005	30.541	-0.005	-0.005	0.000	0.000	0.000	0.000
670	A	701	GLY	0	0.014	0.002	29.429	0.003	0.003	0.000	0.000	0.000	0.000
671	A	702	GLU	-1	-0.773	-0.894	30.345	-0.079	-0.079	0.000	0.000	0.000	0.000
672	A	703	GLY	0	-0.003	0.011	33.314	0.001	0.001	0.000	0.000	0.000	0.000
673	A	704	LYS	1	0.863	0.930	30.001	0.083	0.083	0.000	0.000	0.000	0.000
674	A	705	ILE	0	0.027	0.023	31.904	0.000	0.000	0.000	0.000	0.000	0.000
675	A	706	LYS	1	0.794	0.869	35.670	0.059	0.059	0.000	0.000	0.000	0.000
676	A	707	ALA	0	0.025	0.009	38.176	0.003	0.003	0.000	0.000	0.000	0.000
677	A	708	GLY	0	0.026	0.015	38.226	0.002	0.002	0.000	0.000	0.000	0.000
678	A	709	HIS	0	0.024	0.006	39.446	0.004	0.004	0.000	0.000	0.000	0.000
679	A	710	ALA	0	0.008	0.003	41.609	0.002	0.002	0.000	0.000	0.000	0.000
680	A	711	ILE	0	-0.050	-0.027	40.922	0.002	0.002	0.000	0.000	0.000	0.000
681	A	712	ALA	0	0.007	-0.003	42.880	0.002	0.002	0.000	0.000	0.000	0.000
682	A	713	LYS	1	0.816	0.914	44.834	0.048	0.048	0.000	0.000	0.000	0.000
683	A	714	LEU	0	-0.011	-0.004	47.325	0.003	0.003	0.000	0.000	0.000	0.000
684	A	715	GLY	0	-0.005	0.009	48.098	0.002	0.002	0.000	0.000	0.000	0.000
685	A	716	ALA	0	0.023	-0.005	49.432	0.002	0.002	0.000	0.000	0.000	0.000
686	A	717	LYS	1	0.821	0.912	51.097	0.044	0.044	0.000	0.000	0.000	0.000
687	A	718	ALA	0	0.004	-0.008	53.117	0.003	0.003	0.000	0.000	0.000	0.000
688	A	719	ASP	-1	-0.795	-0.894	53.938	-0.043	-0.043	0.000	0.000	0.000	0.000
689	A	720	PRO	0	0.033	0.044	51.678	0.000	0.000	0.000	0.000	0.000	0.000
690	A	721	MET	0	-0.007	-0.005	52.290	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	722	ILE	0	-0.084	-0.047	54.870	0.002	0.002	0.000	0.000	0.000	0.000
692	A	723	SER	0	-0.014	-0.035	51.057	0.000	0.000	0.000	0.000	0.000	0.000
693	A	724	PHE	0	0.004	-0.012	46.671	0.000	0.000	0.000	0.000	0.000	0.000
694	A	725	PRO	0	0.065	0.041	49.708	-0.002	-0.002	0.000	0.000	0.000	0.000
695	A	726	GLY	0	0.010	-0.006	50.224	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	727	GLN	0	-0.046	-0.028	44.759	0.000	0.000	0.000	0.000	0.000	0.000
697	A	728	ARG	1	0.868	0.939	44.567	0.044	0.044	0.000	0.000	0.000	0.000
698	A	729	ALA	0	0.087	0.029	44.757	-0.003	-0.003	0.000	0.000	0.000	0.000
699	A	730	TYR	0	-0.034	-0.025	42.907	-0.004	-0.004	0.000	0.000	0.000	0.000
700	A	731	GLU	-1	-0.850	-0.905	40.209	-0.062	-0.062	0.000	0.000	0.000	0.000
701	A	732	VAL	0	0.001	-0.002	39.835	-0.004	-0.004	0.000	0.000	0.000	0.000
702	A	733	VAL	0	0.028	0.023	39.327	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	734	LYS	1	0.830	0.914	32.069	0.126	0.126	0.000	0.000	0.000	0.000
704	A	735	PRO	0	-0.011	-0.007	36.114	-0.005	-0.005	0.000	0.000	0.000	0.000
705	A	736	LEU	0	-0.025	-0.016	37.060	-0.003	-0.003	0.000	0.000	0.000	0.000
706	A	737	CYS	0	-0.020	-0.001	36.935	0.002	0.002	0.000	0.000	0.000	0.000
707	A	738	ASP	-1	-0.806	-0.902	32.045	-0.135	-0.135	0.000	0.000	0.000	0.000
708	A	739	LEU	0	-0.061	-0.034	33.518	-0.006	-0.006	0.000	0.000	0.000	0.000
709	A	740	LEU	0	-0.011	0.000	35.753	0.002	0.002	0.000	0.000	0.000	0.000
710	A	741	HIS	0	0.033	0.027	27.850	0.003	0.003	0.000	0.000	0.000	0.000
711	A	742	PRO	0	-0.052	-0.032	31.308	-0.005	-0.005	0.000	0.000	0.000	0.000
712	A	743	ASP	-1	-0.847	-0.925	33.192	-0.110	-0.110	0.000	0.000	0.000	0.000
713	A	744	VAL	0	-0.055	-0.022	31.747	0.005	0.005	0.000	0.000	0.000	0.000
714	A	745	GLU	-1	-0.767	-0.849	35.251	-0.079	-0.079	0.000	0.000	0.000	0.000
715	A	746	GLY	0	-0.065	-0.027	37.430	-0.002	-0.002	0.000	0.000	0.000	0.000
716	A	747	LYS	1	0.812	0.889	34.287	0.101	0.101	0.000	0.000	0.000	0.000
717	A	748	ALA	0	0.043	0.028	40.181	0.002	0.002	0.000	0.000	0.000	0.000
718	A	749	ASN	0	0.055	0.018	38.412	0.001	0.001	0.000	0.000	0.000	0.000
719	A	750	TYR	0	0.036	0.021	42.126	0.000	0.000	0.000	0.000	0.000	0.000
720	A	751	ASP	-1	-0.851	-0.932	45.667	-0.056	-0.056	0.000	0.000	0.000	0.000
721	A	752	SER	0	0.017	-0.004	41.735	0.001	0.001	0.000	0.000	0.000	0.000
722	A	753	LEU	0	0.002	0.009	42.460	0.000	0.000	0.000	0.000	0.000	0.000
723	A	754	LEU	0	0.019	0.031	45.613	0.001	0.001	0.000	0.000	0.000	0.000
724	A	755	THR	0	0.012	-0.011	45.736	0.004	0.004	0.000	0.000	0.000	0.000
725	A	756	LEU	0	-0.055	-0.009	42.250	0.001	0.001	0.000	0.000	0.000	0.000
726	A	757	THR	0	-0.007	-0.023	46.182	0.000	0.000	0.000	0.000	0.000	0.000
727	A	758	ASN	0	-0.027	-0.012	49.398	0.001	0.001	0.000	0.000	0.000	0.000
728	A	759	LEU	0	-0.062	-0.019	45.328	0.002	0.002	0.000	0.000	0.000	0.000
729	A	760	ALA	0	-0.003	-0.006	47.211	0.001	0.001	0.000	0.000	0.000	0.000
730	A	761	SER	0	0.011	0.010	48.878	0.001	0.001	0.000	0.000	0.000	0.000
731	A	762	VAL	0	-0.023	-0.002	52.534	0.000	0.000	0.000	0.000	0.000	0.000
732	A	763	SER	0	-0.001	-0.028	50.464	0.001	0.001	0.000	0.000	0.000	0.000
733	A	764	ASP	-1	-0.738	-0.855	49.531	-0.065	-0.065	0.000	0.000	0.000	0.000
734	A	765	SER	0	-0.051	-0.022	46.414	-0.005	-0.005	0.000	0.000	0.000	0.000
735	A	766	ILE	0	-0.019	-0.009	44.982	-0.004	-0.004	0.000	0.000	0.000	0.000
736	A	767	ARG	1	0.886	0.946	44.447	0.059	0.059	0.000	0.000	0.000	0.000
737	A	768	GLY	0	0.027	0.016	43.960	-0.005	-0.005	0.000	0.000	0.000	0.000
738	A	769	ARG	1	0.854	0.928	39.675	0.074	0.074	0.000	0.000	0.000	0.000
739	A	770	ILE	0	0.040	0.012	39.675	-0.006	-0.006	0.000	0.000	0.000	0.000
740	A	771	LEU	0	-0.014	0.012	39.908	-0.005	-0.005	0.000	0.000	0.000	0.000
741	A	772	LYS	1	0.828	0.891	34.331	0.115	0.115	0.000	0.000	0.000	0.000
742	A	773	GLU	-1	-0.874	-0.935	34.441	-0.128	-0.128	0.000	0.000	0.000	0.000
743	A	774	LYS	1	0.864	0.928	28.901	0.198	0.198	0.000	0.000	0.000	0.000
744	A	775	ALA	0	0.049	0.023	35.338	-0.004	-0.004	0.000	0.000	0.000	0.000
745	A	776	ILE	0	0.014	0.012	37.250	0.000	0.000	0.000	0.000	0.000	0.000
746	A	777	PRO	0	-0.001	-0.009	35.688	0.002	0.002	0.000	0.000	0.000	0.000
747	A	778	LYS	1	0.777	0.889	33.143	0.137	0.137	0.000	0.000	0.000	0.000
748	A	779	ILE	0	-0.035	-0.029	37.369	0.005	0.005	0.000	0.000	0.000	0.000
749	A	780	GLU	-1	-0.809	-0.893	40.716	-0.104	-0.104	0.000	0.000	0.000	0.000
750	A	781	GLU	-1	-0.817	-0.890	36.266	-0.134	-0.134	0.000	0.000	0.000	0.000
751	A	782	PHE	0	-0.003	-0.030	39.178	0.005	0.005	0.000	0.000	0.000	0.000
752	A	783	TRP	0	-0.011	-0.005	43.237	0.004	0.004	0.000	0.000	0.000	0.000
753	A	784	PHE	0	-0.031	0.000	40.959	0.003	0.003	0.000	0.000	0.000	0.000
754	A	785	MET	0	-0.026	0.025	41.188	0.003	0.003	0.000	0.000	0.000	0.000
755	A	786	THR	0	0.038	0.011	45.233	0.002	0.002	0.000	0.000	0.000	0.000
756	A	787	ASP	-1	-0.912	-0.940	48.115	-0.058	-0.058	0.000	0.000	0.000	0.000
757	A	788	HIS	1	0.778	0.830	43.068	0.075	0.075	0.000	0.000	0.000	0.000
758	A	789	GLU	-1	-0.809	-0.889	48.240	-0.053	-0.053	0.000	0.000	0.000	0.000
759	A	790	HIS	0	-0.010	-0.009	50.208	-0.002	-0.002	0.000	0.000	0.000	0.000
760	A	791	LEU	0	-0.033	-0.030	43.864	0.000	0.000	0.000	0.000	0.000	0.000
761	A	792	ARG	1	0.874	0.952	47.247	0.066	0.066	0.000	0.000	0.000	0.000
762	A	793	ALA	0	0.036	0.019	48.856	0.000	0.000	0.000	0.000	0.000	0.000
763	A	794	ALA	0	-0.011	-0.006	48.062	0.000	0.000	0.000	0.000	0.000	0.000
764	A	795	ALA	0	0.018	0.009	45.880	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	796	ALA	0	0.021	0.018	47.491	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	797	GLU	-1	-0.864	-0.932	50.760	-0.052	-0.052	0.000	0.000	0.000	0.000
767	A	798	LEU	0	-0.017	0.002	44.424	0.001	0.001	0.000	0.000	0.000	0.000
768	A	799	LEU	0	0.008	-0.008	45.147	0.000	0.000	0.000	0.000	0.000	0.000
769	A	800	LEU	0	-0.056	-0.006	48.843	0.000	0.000	0.000	0.000	0.000	0.000
770	A	801	ASN	0	-0.017	-0.039	50.984	0.002	0.002	0.000	0.000	0.000	0.000
771	A	802	LEU	0	-0.059	-0.037	43.874	0.000	0.000	0.000	0.000	0.000	0.000
772	A	803	LEU	0	0.005	-0.001	48.015	-0.002	-0.002	0.000	0.000	0.000	0.000
773	A	804	PHE	0	-0.073	-0.019	50.234	0.002	0.002	0.000	0.000	0.000	0.000
774	A	805	PHE	0	-0.042	-0.033	51.522	0.003	0.003	0.000	0.000	0.000	0.000
775	A	806	GLU	-1	-0.848	-0.902	50.461	-0.067	-0.067	0.000	0.000	0.000	0.000
776	A	807	LYS	1	0.800	0.904	45.420	0.067	0.067	0.000	0.000	0.000	0.000
777	A	808	PHE	0	0.001	-0.030	43.075	-0.005	-0.005	0.000	0.000	0.000	0.000
778	A	809	TYR	0	-0.049	-0.033	46.194	-0.002	-0.002	0.000	0.000	0.000	0.000
779	A	810	GLU	-1	-0.804	-0.914	48.353	-0.078	-0.078	0.000	0.000	0.000	0.000
780	A	811	GLU	-1	-0.969	-0.980	42.381	-0.112	-0.112	0.000	0.000	0.000	0.000
781	A	812	THR	0	-0.100	-0.075	46.001	-0.002	-0.002	0.000	0.000	0.000	0.000
782	A	813	VAL	0	-0.008	0.001	48.154	0.001	0.001	0.000	0.000	0.000	0.000
783	A	814	ALA	0	-0.029	-0.018	48.220	0.000	0.000	0.000	0.000	0.000	0.000
784	A	815	PRO	0	-0.051	-0.026	43.418	0.000	0.000	0.000	0.000	0.000	0.000
785	A	816	GLY	0	0.010	0.014	44.881	-0.003	-0.003	0.000	0.000	0.000	0.000
786	A	817	THR	0	-0.044	-0.017	42.420	-0.002	-0.002	0.000	0.000	0.000	0.000
787	A	818	ASP	-1	-0.846	-0.926	45.186	-0.092	-0.092	0.000	0.000	0.000	0.000
788	A	819	ARG	1	0.867	0.925	41.875	0.110	0.110	0.000	0.000	0.000	0.000
789	A	820	LEU	0	0.059	0.036	48.075	0.003	0.003	0.000	0.000	0.000	0.000
790	A	821	LYS	1	0.792	0.881	49.386	0.086	0.086	0.000	0.000	0.000	0.000
791	A	822	LEU	0	0.021	0.022	47.417	0.002	0.002	0.000	0.000	0.000	0.000
792	A	823	TRP	0	0.008	0.009	48.086	0.001	0.001	0.000	0.000	0.000	0.000
793	A	824	VAL	0	-0.047	-0.014	53.924	0.003	0.003	0.000	0.000	0.000	0.000
794	A	825	LEU	0	-0.001	-0.009	52.983	0.002	0.002	0.000	0.000	0.000	0.000
795	A	826	TYR	0	0.010	-0.006	48.550	0.002	0.002	0.000	0.000	0.000	0.000
796	A	827	SER	0	-0.048	-0.018	55.372	0.002	0.002	0.000	0.000	0.000	0.000
797	A	828	ALA	0	-0.064	-0.044	58.393	0.003	0.003	0.000	0.000	0.000	0.000
798	A	829	GLU	-1	-0.889	-0.941	53.206	-0.065	-0.065	0.000	0.000	0.000	0.000
799	A	830	VAL	0	-0.034	-0.019	57.212	-0.001	-0.001	0.000	0.000	0.000	0.000
800	A	831	GLU	-1	-0.909	-0.955	57.372	-0.052	-0.052	0.000	0.000	0.000	0.000
801	A	832	GLU	-1	-0.831	-0.925	54.054	-0.056	-0.056	0.000	0.000	0.000	0.000
802	A	833	GLU	-1	-0.820	-0.907	57.957	-0.042	-0.042	0.000	0.000	0.000	0.000
803	A	834	ARG	1	0.753	0.852	55.346	0.046	0.046	0.000	0.000	0.000	0.000
804	A	835	LEU	0	0.017	0.037	51.423	-0.001	-0.001	0.000	0.000	0.000	0.000
805	A	836	SER	0	0.087	0.046	55.072	-0.002	-0.002	0.000	0.000	0.000	0.000
806	A	837	ARG	1	0.738	0.848	58.500	0.042	0.042	0.000	0.000	0.000	0.000
807	A	838	ALA	0	-0.009	0.009	54.601	0.001	0.001	0.000	0.000	0.000	0.000
808	A	839	SER	0	0.013	-0.017	54.003	-0.002	-0.002	0.000	0.000	0.000	0.000
809	A	840	ALA	0	0.045	0.009	55.572	-0.001	-0.001	0.000	0.000	0.000	0.000
810	A	841	ALA	0	-0.044	-0.026	58.327	0.001	0.001	0.000	0.000	0.000	0.000
811	A	842	GLY	0	-0.015	-0.011	55.260	0.000	0.000	0.000	0.000	0.000	0.000
812	A	843	PHE	0	0.012	0.023	55.796	-0.002	-0.002	0.000	0.000	0.000	0.000
813	A	844	ALA	0	-0.017	-0.007	58.265	0.000	0.000	0.000	0.000	0.000	0.000
814	A	845	ILE	0	-0.034	-0.024	57.039	0.000	0.000	0.000	0.000	0.000	0.000
815	A	846	LEU	0	0.024	0.023	52.517	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	847	THR	0	-0.073	-0.057	56.924	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	848	GLU	-1	-0.932	-0.930	58.001	-0.054	-0.054	0.000	0.000	0.000	0.000
818	A	849	ASP	-1	-0.795	-0.892	55.723	-0.064	-0.064	0.000	0.000	0.000	0.000
819	A	850	GLU	-1	-0.843	-0.896	58.800	-0.051	-0.051	0.000	0.000	0.000	0.000
820	A	851	ASN	0	-0.058	-0.037	54.749	-0.002	-0.002	0.000	0.000	0.000	0.000
821	A	852	ALA	0	0.066	0.027	54.715	-0.002	-0.002	0.000	0.000	0.000	0.000
822	A	853	CYS	0	-0.028	-0.007	55.732	0.000	0.000	0.000	0.000	0.000	0.000
823	A	854	ALA	0	-0.065	-0.037	57.161	0.001	0.001	0.000	0.000	0.000	0.000
824	A	855	ARG	1	0.858	0.935	51.995	0.069	0.069	0.000	0.000	0.000	0.000
825	A	856	ILE	0	0.022	0.023	54.183	-0.002	-0.002	0.000	0.000	0.000	0.000
826	A	857	MET	0	-0.012	-0.001	56.869	0.000	0.000	0.000	0.000	0.000	0.000
827	A	858	ASP	-1	-0.919	-0.971	56.015	-0.066	-0.066	0.000	0.000	0.000	0.000
828	A	859	GLU	-1	-0.771	-0.868	52.085	-0.078	-0.078	0.000	0.000	0.000	0.000
829	A	860	ILE	0	-0.024	0.007	55.259	-0.001	-0.001	0.000	0.000	0.000	0.000
830	A	861	LYS	1	0.818	0.867	52.983	0.076	0.076	0.000	0.000	0.000	0.000
831	A	862	SER	0	-0.018	-0.050	58.269	0.000	0.000	0.000	0.000	0.000	0.000
832	A	863	TRP	0	0.039	0.045	60.481	0.002	0.002	0.000	0.000	0.000	0.000
833	A	864	PRO	0	-0.044	-0.024	61.595	0.001	0.001	0.000	0.000	0.000	0.000
834	A	865	GLU	-1	-0.912	-0.926	61.681	-0.050	-0.050	0.000	0.000	0.000	0.000
835	A	866	VAL	0	0.100	0.046	58.787	0.001	0.001	0.000	0.000	0.000	0.000
836	A	867	PHE	0	0.009	-0.017	61.201	0.001	0.001	0.000	0.000	0.000	0.000
837	A	868	LYS	1	0.798	0.898	64.449	0.045	0.045	0.000	0.000	0.000	0.000
838	A	869	ASP	-1	-0.849	-0.911	62.824	-0.047	-0.047	0.000	0.000	0.000	0.000
839	A	870	ILE	0	-0.031	-0.014	61.288	0.002	0.002	0.000	0.000	0.000	0.000
840	A	871	ALA	0	-0.009	0.006	64.450	0.001	0.001	0.000	0.000	0.000	0.000
841	A	872	MET	0	-0.126	-0.087	68.062	0.002	0.002	0.000	0.000	0.000	0.000
842	A	873	HIS	0	0.079	0.069	63.649	0.002	0.002	0.000	0.000	0.000	0.000
843	A	874	GLU	-1	-0.931	-0.971	66.611	-0.039	-0.039	0.000	0.000	0.000	0.000
844	A	875	ASP	-1	-0.730	-0.803	62.788	-0.043	-0.043	0.000	0.000	0.000	0.000
845	A	876	ALA	0	0.002	-0.011	66.200	0.000	0.000	0.000	0.000	0.000	0.000
846	A	877	GLU	-1	-0.803	-0.882	64.494	-0.042	-0.042	0.000	0.000	0.000	0.000
847	A	878	THR	0	0.035	0.006	61.842	-0.001	-0.001	0.000	0.000	0.000	0.000
848	A	879	GLN	0	-0.027	-0.015	63.994	0.000	0.000	0.000	0.000	0.000	0.000
849	A	880	ARG	1	0.765	0.856	66.341	0.040	0.040	0.000	0.000	0.000	0.000
850	A	881	ARG	1	0.836	0.892	60.665	0.046	0.046	0.000	0.000	0.000	0.000
851	A	882	GLY	0	0.111	0.056	62.674	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	883	LEU	0	-0.096	-0.041	63.643	0.000	0.000	0.000	0.000	0.000	0.000
853	A	884	MET	0	-0.012	-0.010	65.033	0.000	0.000	0.000	0.000	0.000	0.000
854	A	885	GLY	0	0.079	0.071	62.589	-0.001	-0.001	0.000	0.000	0.000	0.000
855	A	886	ILE	0	0.022	0.001	63.255	0.000	0.000	0.000	0.000	0.000	0.000
856	A	887	ALA	0	-0.029	-0.035	65.439	0.000	0.000	0.000	0.000	0.000	0.000
857	A	888	ASN	0	-0.075	-0.053	64.447	0.002	0.002	0.000	0.000	0.000	0.000
858	A	889	ILE	0	0.028	0.011	60.888	0.000	0.000	0.000	0.000	0.000	0.000
859	A	890	MET	0	-0.045	-0.006	64.044	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	891	HIS	0	-0.065	-0.038	67.362	0.003	0.003	0.000	0.000	0.000	0.000
861	A	892	SER	0	-0.052	-0.049	64.926	0.001	0.001	0.000	0.000	0.000	0.000
862	A	893	SER	0	0.041	0.027	63.666	0.000	0.000	0.000	0.000	0.000	0.000
863	A	894	ASN	0	0.071	0.018	66.151	0.000	0.000	0.000	0.000	0.000	0.000
864	A	895	LYS	1	0.765	0.895	62.673	0.054	0.054	0.000	0.000	0.000	0.000
865	A	896	LEU	0	0.020	0.011	61.773	-0.001	-0.001	0.000	0.000	0.000	0.000
866	A	897	CYS	0	-0.014	-0.008	66.254	0.001	0.001	0.000	0.000	0.000	0.000
867	A	898	SER	0	-0.045	-0.044	69.385	0.002	0.002	0.000	0.000	0.000	0.000
868	A	899	GLU	-1	-0.875	-0.897	65.349	-0.048	-0.048	0.000	0.000	0.000	0.000
869	A	900	ILE	0	-0.006	-0.019	68.898	0.000	0.000	0.000	0.000	0.000	0.000
870	A	901	VAL	0	0.018	0.000	69.393	0.001	0.001	0.000	0.000	0.000	0.000
871	A	902	SER	0	-0.024	-0.011	70.537	-0.001	-0.001	0.000	0.000	0.000	0.000
872	A	903	SER	0	0.037	0.020	69.069	0.000	0.000	0.000	0.000	0.000	0.000
873	A	904	GLU	-1	-0.888	-0.948	71.091	-0.035	-0.035	0.000	0.000	0.000	0.000
874	A	905	VAL	0	-0.018	-0.009	74.427	0.001	0.001	0.000	0.000	0.000	0.000
875	A	906	PHE	0	0.043	0.019	68.865	0.001	0.001	0.000	0.000	0.000	0.000
876	A	907	ARG	1	0.875	0.943	73.326	0.038	0.038	0.000	0.000	0.000	0.000
877	A	908	VAL	0	0.020	0.013	75.385	0.001	0.001	0.000	0.000	0.000	0.000
878	A	909	LEU	0	-0.008	0.003	76.029	0.001	0.001	0.000	0.000	0.000	0.000
879	A	910	VAL	0	-0.092	-0.043	74.286	0.001	0.001	0.000	0.000	0.000	0.000
880	A	911	ALA	0	0.108	0.054	77.304	0.000	0.000	0.000	0.000	0.000	0.000
881	A	912	VAL	0	-0.029	-0.011	80.245	0.001	0.001	0.000	0.000	0.000	0.000
882	A	913	THR	0	0.016	-0.004	81.734	0.001	0.001	0.000	0.000	0.000	0.000
883	A	914	LYS	1	0.873	0.930	76.856	0.032	0.032	0.000	0.000	0.000	0.000
884	A	915	LEU	0	0.017	0.032	77.474	-0.001	-0.001	0.000	0.000	0.000	0.000
885	A	916	GLY	0	0.043	0.021	74.739	0.000	0.000	0.000	0.000	0.000	0.000
886	A	917	THR	0	0.009	-0.012	71.972	0.000	0.000	0.000	0.000	0.000	0.000
887	A	918	ILE	0	0.008	0.016	70.299	0.000	0.000	0.000	0.000	0.000	0.000
888	A	919	ASN	0	-0.010	-0.025	72.571	0.000	0.000	0.000	0.000	0.000	0.000
889	A	920	GLN	0	-0.057	-0.024	71.608	0.001	0.001	0.000	0.000	0.000	0.000
890	A	921	GLU	-1	-0.807	-0.911	68.656	-0.038	-0.038	0.000	0.000	0.000	0.000
891	A	922	ARG	1	0.750	0.896	71.258	0.037	0.037	0.000	0.000	0.000	0.000
892	A	923	ALA	0	-0.002	-0.004	73.639	0.000	0.000	0.000	0.000	0.000	0.000
893	A	924	GLY	0	0.019	0.008	72.225	0.000	0.000	0.000	0.000	0.000	0.000
894	A	925	SER	0	0.003	0.000	70.565	-0.001	-0.001	0.000	0.000	0.000	0.000
895	A	926	THR	0	-0.035	-0.021	72.782	0.000	0.000	0.000	0.000	0.000	0.000
896	A	927	GLU	-1	-0.770	-0.849	75.165	-0.032	-0.032	0.000	0.000	0.000	0.000
897	A	928	GLN	0	0.047	0.019	69.304	0.001	0.001	0.000	0.000	0.000	0.000
898	A	929	ALA	0	-0.046	-0.010	73.624	-0.001	-0.001	0.000	0.000	0.000	0.000
899	A	930	LYS	1	0.726	0.847	75.908	0.033	0.033	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:5:VAL)