FMO DATABASE

FMODB ID: GYN81

Calculation Name: 3BZC-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3BZC

Chain ID: A

ChEMBL ID:

UniProt ID: Q9HTY8

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
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	730
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15453477.67545
FMO2-HF: Nuclear repulsion	15175668.064963
FMO2-HF: Total energy	-277809.610487
FMO2-MP2: Total energy	-278628.938814

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

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

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.
-4.658	-8.028	22.449	-5.96	-13.119	-0.006

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.015 / q_NPA : 0.009

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	SER	0	-0.018	-0.012	2.385	-4.584	-2.658	3.604	-2.011	-3.519	-0.004
4	A	4	ILE	0	0.024	0.006	2.238	1.965	-2.578	11.935	-2.074	-5.319	0.002
5	A	5	ASN	0	0.061	0.019	2.994	-2.525	-1.405	0.053	-0.443	-0.730	0.001
6	A	6	THR	0	-0.040	-0.033	5.697	0.463	0.463	0.000	0.000	0.000	0.000
7	A	7	ARG	1	0.848	0.933	7.387	-0.525	-0.525	0.000	0.000	0.000	0.000
8	A	8	ILE	0	0.026	0.009	7.235	-0.052	-0.052	0.000	0.000	0.000	0.000
9	A	9	ALA	0	-0.002	0.001	9.586	0.015	0.015	0.000	0.000	0.000	0.000
10	A	10	GLU	-1	-0.903	-0.947	11.496	0.193	0.193	0.000	0.000	0.000	0.000
11	A	11	GLU	-1	-0.760	-0.856	12.392	0.150	0.150	0.000	0.000	0.000	0.000
12	A	12	LEU	0	0.008	-0.005	12.922	-0.013	-0.013	0.000	0.000	0.000	0.000
13	A	13	SER	0	-0.047	-0.011	15.380	0.004	0.004	0.000	0.000	0.000	0.000
14	A	14	ALA	0	-0.030	0.003	17.589	0.006	0.006	0.000	0.000	0.000	0.000
15	A	15	LEU	0	-0.025	-0.014	18.088	-0.007	-0.007	0.000	0.000	0.000	0.000
16	A	16	PRO	0	0.028	0.013	21.088	0.007	0.007	0.000	0.000	0.000	0.000
17	A	17	SER	0	-0.041	-0.023	20.227	0.007	0.007	0.000	0.000	0.000	0.000
18	A	18	GLY	0	-0.017	-0.001	21.280	0.005	0.005	0.000	0.000	0.000	0.000
19	A	19	ARG	1	0.819	0.895	15.763	-0.132	-0.132	0.000	0.000	0.000	0.000
20	A	20	VAL	0	0.036	0.035	12.699	-0.005	-0.005	0.000	0.000	0.000	0.000
21	A	21	GLN	0	-0.039	-0.045	13.330	0.007	0.007	0.000	0.000	0.000	0.000
22	A	22	PRO	0	0.052	0.002	8.498	-0.022	-0.022	0.000	0.000	0.000	0.000
23	A	23	GLN	0	0.014	0.007	8.066	0.053	0.053	0.000	0.000	0.000	0.000
24	A	24	GLN	0	0.028	0.021	10.067	0.036	0.036	0.000	0.000	0.000	0.000
25	A	25	VAL	0	-0.002	0.021	6.362	-0.016	-0.016	0.000	0.000	0.000	0.000
26	A	26	ALA	0	-0.026	-0.010	5.553	-0.139	-0.139	0.000	0.000	0.000	0.000
27	A	27	ALA	0	-0.008	0.004	6.560	0.007	0.007	0.000	0.000	0.000	0.000
28	A	28	ALA	0	0.027	-0.007	9.869	-0.044	-0.044	0.000	0.000	0.000	0.000
29	A	29	VAL	0	-0.033	-0.023	4.811	-0.087	-0.087	0.000	0.000	0.000	0.000
30	A	30	ALA	0	0.020	0.018	7.806	-0.101	-0.101	0.000	0.000	0.000	0.000
31	A	31	LEU	0	0.036	0.014	8.807	-0.053	-0.053	0.000	0.000	0.000	0.000
32	A	32	LEU	0	-0.018	-0.007	10.357	-0.015	-0.015	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.825	-0.900	7.087	-1.251	-1.251	0.000	0.000	0.000	0.000
34	A	34	GLU	-1	-1.044	-1.010	10.739	-0.049	-0.049	0.000	0.000	0.000	0.000
35	A	35	GLY	0	-0.100	-0.057	13.668	0.044	0.044	0.000	0.000	0.000	0.000
36	A	36	SER	0	-0.063	-0.024	15.045	0.052	0.052	0.000	0.000	0.000	0.000
37	A	37	THR	0	-0.014	-0.020	15.864	-0.035	-0.035	0.000	0.000	0.000	0.000
38	A	38	VAL	0	0.065	0.024	16.103	0.016	0.016	0.000	0.000	0.000	0.000
39	A	39	PRO	0	0.071	0.033	18.072	0.020	0.020	0.000	0.000	0.000	0.000
40	A	40	PHE	0	-0.005	-0.005	18.715	0.018	0.018	0.000	0.000	0.000	0.000
41	A	41	ILE	0	-0.013	-0.004	13.881	0.021	0.021	0.000	0.000	0.000	0.000
42	A	42	ALA	0	0.026	0.018	17.982	0.021	0.021	0.000	0.000	0.000	0.000
43	A	43	ARG	1	0.855	0.941	19.866	0.063	0.063	0.000	0.000	0.000	0.000
44	A	44	TYR	0	-0.082	-0.087	21.735	0.010	0.010	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.909	0.975	17.100	0.040	0.040	0.000	0.000	0.000	0.000
46	A	46	LYS	1	0.913	0.971	17.639	0.025	0.025	0.000	0.000	0.000	0.000
47	A	47	GLU	-1	-0.869	-0.945	18.698	0.024	0.024	0.000	0.000	0.000	0.000
48	A	48	VAL	0	-0.021	0.003	13.725	0.020	0.020	0.000	0.000	0.000	0.000
49	A	49	THR	0	0.027	0.019	13.467	0.036	0.036	0.000	0.000	0.000	0.000
50	A	50	GLY	0	0.001	0.000	14.695	0.002	0.002	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.103	-0.068	17.465	-0.005	-0.005	0.000	0.000	0.000	0.000
52	A	52	LEU	0	-0.046	-0.006	12.890	-0.004	-0.004	0.000	0.000	0.000	0.000
53	A	53	ASP	-1	-0.844	-0.927	17.418	-0.053	-0.053	0.000	0.000	0.000	0.000
54	A	54	ASP	-1	-0.820	-0.933	18.393	-0.106	-0.106	0.000	0.000	0.000	0.000
55	A	55	THR	0	-0.005	0.001	18.878	-0.021	-0.021	0.000	0.000	0.000	0.000
56	A	56	GLN	0	0.014	0.006	15.921	-0.017	-0.017	0.000	0.000	0.000	0.000
57	A	57	LEU	0	0.000	-0.002	13.677	-0.034	-0.034	0.000	0.000	0.000	0.000
58	A	58	ARG	1	0.749	0.840	14.661	0.126	0.126	0.000	0.000	0.000	0.000
59	A	59	MET	0	0.012	0.025	14.957	-0.025	-0.025	0.000	0.000	0.000	0.000
60	A	60	LEU	0	-0.045	-0.019	9.084	-0.027	-0.027	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.883	-0.944	11.134	-0.416	-0.416	0.000	0.000	0.000	0.000
62	A	62	GLU	-1	-0.990	-1.008	12.081	-0.233	-0.233	0.000	0.000	0.000	0.000
63	A	63	ARG	1	0.794	0.857	10.796	-0.059	-0.059	0.000	0.000	0.000	0.000
64	A	64	LEU	0	-0.007	-0.001	5.909	-0.024	-0.024	0.000	0.000	0.000	0.000
65	A	65	ARG	1	0.925	0.975	7.394	0.157	0.157	0.000	0.000	0.000	0.000
66	A	66	TYR	0	0.042	0.017	9.063	-0.081	-0.081	0.000	0.000	0.000	0.000
67	A	67	LEU	0	-0.023	-0.034	6.050	0.066	0.066	0.000	0.000	0.000	0.000
68	A	68	ARG	1	0.818	0.906	4.097	2.129	2.418	0.000	-0.019	-0.270	0.000
69	A	69	GLU	-1	-0.923	-0.950	5.553	-0.683	-0.683	0.000	0.000	0.000	0.000
70	A	70	LEU	0	-0.042	-0.012	6.912	-0.002	-0.002	0.000	0.000	0.000	0.000
71	A	71	GLU	-1	-0.890	-0.966	1.951	3.243	0.995	6.858	-1.404	-3.206	-0.005
72	A	72	GLU	-1	-0.903	-0.934	4.498	-1.377	-1.291	-0.001	-0.009	-0.075	0.000
73	A	73	ARG	1	0.727	0.851	6.628	0.414	0.414	0.000	0.000	0.000	0.000
74	A	74	ARG	1	0.813	0.866	6.007	-1.359	-1.359	0.000	0.000	0.000	0.000
75	A	75	GLY	0	0.029	0.023	7.313	0.113	0.113	0.000	0.000	0.000	0.000
76	A	76	ALA	0	0.010	0.003	8.587	0.090	0.090	0.000	0.000	0.000	0.000
77	A	77	ILE	0	-0.051	-0.020	11.611	0.049	0.049	0.000	0.000	0.000	0.000
78	A	78	LEU	0	-0.006	-0.013	9.438	0.039	0.039	0.000	0.000	0.000	0.000
79	A	79	ALA	0	0.026	0.016	12.714	0.014	0.014	0.000	0.000	0.000	0.000
80	A	80	SER	0	0.022	0.043	14.459	0.022	0.022	0.000	0.000	0.000	0.000
81	A	81	ILE	0	-0.002	-0.020	15.857	0.011	0.011	0.000	0.000	0.000	0.000
82	A	82	GLU	-1	-0.996	-1.000	16.621	-0.015	-0.015	0.000	0.000	0.000	0.000
83	A	83	GLU	-1	-0.888	-0.939	17.790	-0.137	-0.137	0.000	0.000	0.000	0.000
84	A	84	GLN	0	-0.176	-0.078	20.358	0.010	0.010	0.000	0.000	0.000	0.000
85	A	85	GLY	0	-0.024	-0.009	22.378	0.009	0.009	0.000	0.000	0.000	0.000
86	A	86	LYS	1	0.916	0.948	21.768	-0.012	-0.012	0.000	0.000	0.000	0.000
87	A	87	LEU	0	-0.009	0.014	15.051	0.016	0.016	0.000	0.000	0.000	0.000
88	A	88	THR	0	0.032	0.025	19.439	0.010	0.010	0.000	0.000	0.000	0.000
89	A	89	PRO	0	0.042	0.006	18.086	0.021	0.021	0.000	0.000	0.000	0.000
90	A	90	GLU	-1	-0.926	-0.971	17.725	0.173	0.173	0.000	0.000	0.000	0.000
91	A	91	LEU	0	0.032	0.029	17.389	0.029	0.029	0.000	0.000	0.000	0.000
92	A	92	ALA	0	0.019	-0.013	14.328	0.035	0.035	0.000	0.000	0.000	0.000
93	A	93	ARG	1	0.898	0.961	13.175	-0.231	-0.231	0.000	0.000	0.000	0.000
94	A	94	ASP	-1	-0.865	-0.940	13.632	0.329	0.329	0.000	0.000	0.000	0.000
95	A	95	ILE	0	-0.015	-0.005	10.882	0.044	0.044	0.000	0.000	0.000	0.000
96	A	96	LYS	1	0.897	0.970	6.490	-1.459	-1.459	0.000	0.000	0.000	0.000
97	A	97	LEU	0	-0.065	-0.051	9.380	0.243	0.243	0.000	0.000	0.000	0.000
98	A	98	ALA	0	0.001	0.035	11.809	-0.035	-0.035	0.000	0.000	0.000	0.000
99	A	99	ASP	-1	-0.888	-0.937	10.273	0.591	0.591	0.000	0.000	0.000	0.000
100	A	100	THR	0	0.067	0.031	11.578	-0.057	-0.057	0.000	0.000	0.000	0.000
101	A	101	LYS	1	1.019	0.993	12.721	0.160	0.160	0.000	0.000	0.000	0.000
102	A	102	THR	0	0.010	-0.004	13.565	-0.018	-0.018	0.000	0.000	0.000	0.000
103	A	103	ARG	1	0.983	1.015	15.039	-0.216	-0.216	0.000	0.000	0.000	0.000
104	A	104	LEU	0	0.017	0.002	9.503	-0.006	-0.006	0.000	0.000	0.000	0.000
105	A	105	GLU	-1	-0.818	-0.894	14.141	-0.110	-0.110	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.897	-0.950	16.749	0.092	0.092	0.000	0.000	0.000	0.000
107	A	107	LEU	0	0.004	-0.004	15.468	0.002	0.002	0.000	0.000	0.000	0.000
108	A	108	TYR	0	-0.049	-0.048	16.104	-0.019	-0.019	0.000	0.000	0.000	0.000
109	A	109	LEU	0	-0.021	-0.007	18.138	-0.020	-0.020	0.000	0.000	0.000	0.000
110	A	110	PRO	0	0.003	0.022	21.325	-0.012	-0.012	0.000	0.000	0.000	0.000
111	A	111	TYR	0	-0.028	-0.014	19.871	-0.005	-0.005	0.000	0.000	0.000	0.000
112	A	112	LYS	1	0.947	0.998	20.625	0.034	0.034	0.000	0.000	0.000	0.000
113	A	113	GLN	0	0.006	0.011	21.870	0.010	0.010	0.000	0.000	0.000	0.000
114	A	114	LYS	1	0.918	0.949	24.772	0.032	0.032	0.000	0.000	0.000	0.000
115	A	115	ARG	1	1.009	0.995	27.896	0.048	0.048	0.000	0.000	0.000	0.000
116	A	116	ARG	1	0.958	0.959	31.333	0.036	0.036	0.000	0.000	0.000	0.000
117	A	117	THR	0	0.007	0.011	31.334	-0.002	-0.002	0.000	0.000	0.000	0.000
118	A	118	LYS	1	0.939	0.969	34.412	0.016	0.016	0.000	0.000	0.000	0.000
119	A	119	GLY	0	0.072	0.038	35.164	0.001	0.001	0.000	0.000	0.000	0.000
120	A	120	GLN	0	-0.024	-0.006	31.730	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	121	ILE	0	0.004	0.008	34.909	0.000	0.000	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.016	0.004	38.469	0.001	0.001	0.000	0.000	0.000	0.000
123	A	123	LEU	0	0.000	-0.003	33.735	0.002	0.002	0.000	0.000	0.000	0.000
124	A	124	GLU	-1	-0.968	-0.966	36.245	-0.021	-0.021	0.000	0.000	0.000	0.000
125	A	125	ALA	0	-0.101	-0.049	39.117	0.000	0.000	0.000	0.000	0.000	0.000
126	A	126	GLY	0	-0.001	0.006	41.001	0.001	0.001	0.000	0.000	0.000	0.000
127	A	127	LEU	0	-0.021	-0.022	41.473	0.002	0.002	0.000	0.000	0.000	0.000
128	A	128	GLY	0	-0.003	-0.002	38.693	0.001	0.001	0.000	0.000	0.000	0.000
129	A	129	ALA	0	0.048	0.029	39.398	0.002	0.002	0.000	0.000	0.000	0.000
130	A	130	LEU	0	-0.032	0.003	42.071	0.001	0.001	0.000	0.000	0.000	0.000
131	A	131	ALA	0	-0.035	-0.028	38.734	0.001	0.001	0.000	0.000	0.000	0.000
132	A	132	ASP	-1	-0.829	-0.917	37.481	0.019	0.019	0.000	0.000	0.000	0.000
133	A	133	ALA	0	0.010	0.024	39.996	0.002	0.002	0.000	0.000	0.000	0.000
134	A	134	LEU	0	-0.035	-0.020	43.391	0.001	0.001	0.000	0.000	0.000	0.000
135	A	135	PHE	0	-0.093	-0.036	36.002	0.001	0.001	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.910	-0.970	39.556	0.028	0.028	0.000	0.000	0.000	0.000
137	A	137	ASP	-1	-0.868	-0.920	41.900	0.021	0.021	0.000	0.000	0.000	0.000
138	A	138	PRO	0	0.034	0.007	44.194	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	139	THR	0	-0.151	-0.088	46.698	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	140	LEU	0	-0.001	0.024	47.064	-0.002	-0.002	0.000	0.000	0.000	0.000
141	A	141	VAL	0	0.009	-0.002	50.248	0.000	0.000	0.000	0.000	0.000	0.000
142	A	142	PRO	0	0.036	0.010	48.071	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	143	GLU	-1	-0.865	-0.956	49.601	0.004	0.004	0.000	0.000	0.000	0.000
144	A	144	SER	0	-0.034	-0.025	52.357	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	145	GLU	-1	-0.881	-0.946	48.602	0.009	0.009	0.000	0.000	0.000	0.000
146	A	146	ALA	0	-0.035	-0.031	48.719	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	147	ALA	0	-0.020	-0.011	49.681	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	148	ARG	1	0.871	0.939	47.779	-0.008	-0.008	0.000	0.000	0.000	0.000
149	A	149	PHE	0	-0.009	-0.010	45.854	0.000	0.000	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.042	0.006	48.598	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	151	ASP	-1	-0.838	-0.941	46.611	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	152	ALA	0	-0.086	-0.039	49.918	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	153	GLU	-1	-0.958	-0.992	49.882	-0.014	-0.014	0.000	0.000	0.000	0.000
154	A	154	LYS	1	0.949	0.996	44.255	0.007	0.007	0.000	0.000	0.000	0.000
155	A	155	GLY	0	-0.051	-0.021	45.204	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	156	PHE	0	-0.033	-0.023	42.222	0.000	0.000	0.000	0.000	0.000	0.000
157	A	157	ALA	0	0.029	0.009	48.309	0.001	0.001	0.000	0.000	0.000	0.000
158	A	158	ASP	-1	-0.849	-0.925	51.023	-0.003	-0.003	0.000	0.000	0.000	0.000
159	A	159	VAL	0	0.084	0.050	50.490	0.000	0.000	0.000	0.000	0.000	0.000
160	A	160	LYS	1	0.951	0.967	49.547	0.003	0.003	0.000	0.000	0.000	0.000
161	A	161	ALA	0	-0.014	-0.002	47.621	0.000	0.000	0.000	0.000	0.000	0.000
162	A	162	VAL	0	0.018	0.014	45.839	0.000	0.000	0.000	0.000	0.000	0.000
163	A	163	LEU	0	0.021	0.006	44.802	0.001	0.001	0.000	0.000	0.000	0.000
164	A	164	GLU	-1	-0.931	-0.961	42.985	-0.004	-0.004	0.000	0.000	0.000	0.000
165	A	165	GLY	0	-0.010	-0.020	41.321	0.000	0.000	0.000	0.000	0.000	0.000
166	A	166	ALA	0	0.042	0.006	39.977	0.000	0.000	0.000	0.000	0.000	0.000
167	A	167	LYS	1	0.893	0.969	39.554	0.001	0.001	0.000	0.000	0.000	0.000
168	A	168	TYR	0	-0.012	-0.040	36.655	0.000	0.000	0.000	0.000	0.000	0.000
169	A	169	ILE	0	-0.030	-0.006	35.394	0.000	0.000	0.000	0.000	0.000	0.000
170	A	170	LEU	0	0.008	0.013	34.410	0.002	0.002	0.000	0.000	0.000	0.000
171	A	171	MET	0	-0.042	0.006	34.125	0.001	0.001	0.000	0.000	0.000	0.000
172	A	172	GLU	-1	-0.915	-0.971	31.187	-0.010	-0.010	0.000	0.000	0.000	0.000
173	A	173	ARG	1	0.931	0.984	29.775	-0.018	-0.018	0.000	0.000	0.000	0.000
174	A	174	PHE	0	-0.010	-0.021	29.618	0.005	0.005	0.000	0.000	0.000	0.000
175	A	175	ALA	0	-0.081	-0.062	29.328	0.005	0.005	0.000	0.000	0.000	0.000
176	A	176	GLU	-1	-0.926	-0.963	25.100	0.011	0.011	0.000	0.000	0.000	0.000
177	A	177	ASP	-1	-0.788	-0.896	24.773	0.075	0.075	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.047	0.017	21.088	0.002	0.002	0.000	0.000	0.000	0.000
179	A	179	THR	0	-0.042	-0.021	23.041	0.003	0.003	0.000	0.000	0.000	0.000
180	A	180	LEU	0	-0.019	-0.001	24.873	0.000	0.000	0.000	0.000	0.000	0.000
181	A	181	LEU	0	-0.004	-0.012	23.678	-0.004	-0.004	0.000	0.000	0.000	0.000
182	A	182	ASP	-1	-0.923	-0.949	22.034	0.118	0.118	0.000	0.000	0.000	0.000
183	A	183	LYS	1	0.965	0.980	24.161	-0.065	-0.065	0.000	0.000	0.000	0.000
184	A	184	LEU	0	-0.019	-0.028	27.448	-0.006	-0.006	0.000	0.000	0.000	0.000
185	A	185	ARG	1	0.814	0.891	21.833	-0.063	-0.063	0.000	0.000	0.000	0.000
186	A	186	VAL	0	0.016	0.009	24.513	-0.006	-0.006	0.000	0.000	0.000	0.000
187	A	187	PHE	0	-0.008	-0.013	26.849	-0.005	-0.005	0.000	0.000	0.000	0.000
188	A	188	MET	0	-0.012	-0.010	29.382	-0.005	-0.005	0.000	0.000	0.000	0.000
189	A	189	LYS	1	0.930	0.987	25.480	-0.042	-0.042	0.000	0.000	0.000	0.000
190	A	190	ASN	0	-0.069	-0.055	28.885	-0.004	-0.004	0.000	0.000	0.000	0.000
191	A	191	GLU	-1	-0.890	-0.951	31.658	0.035	0.035	0.000	0.000	0.000	0.000
192	A	192	ALA	0	-0.056	-0.015	32.996	-0.004	-0.004	0.000	0.000	0.000	0.000
193	A	193	THR	0	-0.022	-0.009	34.664	0.000	0.000	0.000	0.000	0.000	0.000
194	A	194	LEU	0	0.015	0.005	33.478	-0.002	-0.002	0.000	0.000	0.000	0.000
195	A	195	THR	0	-0.075	-0.032	35.790	0.000	0.000	0.000	0.000	0.000	0.000
196	A	196	ALA	0	-0.003	-0.015	38.639	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	197	ARG	1	0.850	0.907	40.257	0.007	0.007	0.000	0.000	0.000	0.000
198	A	198	VAL	0	0.017	0.024	42.524	-0.002	-0.002	0.000	0.000	0.000	0.000
199	A	199	VAL	0	-0.041	0.013	42.582	0.002	0.002	0.000	0.000	0.000	0.000
200	A	200	PRO	0	-0.002	-0.029	45.105	0.001	0.001	0.000	0.000	0.000	0.000
201	A	201	GLY	0	0.027	0.018	48.177	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	202	LYS	1	0.872	0.926	49.791	0.014	0.014	0.000	0.000	0.000	0.000
203	A	203	GLU	-1	-0.813	-0.905	46.289	-0.025	-0.025	0.000	0.000	0.000	0.000
204	A	204	GLN	0	-0.008	-0.017	48.986	0.000	0.000	0.000	0.000	0.000	0.000
205	A	205	GLU	-1	-0.927	-0.965	47.438	-0.028	-0.028	0.000	0.000	0.000	0.000
206	A	206	GLY	0	-0.001	0.003	45.008	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	207	ALA	0	0.015	-0.003	45.838	0.001	0.001	0.000	0.000	0.000	0.000
208	A	208	LYS	1	0.893	0.949	41.406	0.037	0.037	0.000	0.000	0.000	0.000
209	A	209	PHE	0	0.012	-0.002	38.696	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	210	SER	0	0.032	0.028	43.240	0.002	0.002	0.000	0.000	0.000	0.000
211	A	211	ASP	-1	-0.953	-0.968	43.506	-0.016	-0.016	0.000	0.000	0.000	0.000
212	A	212	TYR	0	-0.061	-0.049	39.625	0.002	0.002	0.000	0.000	0.000	0.000
213	A	213	PHE	0	-0.013	-0.011	42.897	0.000	0.000	0.000	0.000	0.000	0.000
214	A	214	GLU	-1	-0.954	-0.986	45.247	-0.005	-0.005	0.000	0.000	0.000	0.000
215	A	215	HIS	0	-0.037	0.001	39.252	0.000	0.000	0.000	0.000	0.000	0.000
216	A	216	ASP	-1	-0.794	-0.872	40.476	-0.002	-0.002	0.000	0.000	0.000	0.000
217	A	217	GLU	-1	-0.787	-0.922	36.001	-0.002	-0.002	0.000	0.000	0.000	0.000
218	A	218	PRO	0	0.003	0.009	35.514	0.000	0.000	0.000	0.000	0.000	0.000
219	A	219	LEU	0	0.047	0.027	29.582	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	220	LYS	1	0.875	0.935	29.926	-0.042	-0.042	0.000	0.000	0.000	0.000
221	A	221	SER	0	-0.051	-0.030	30.754	0.003	0.003	0.000	0.000	0.000	0.000
222	A	222	ALA	0	0.019	0.033	31.911	-0.002	-0.002	0.000	0.000	0.000	0.000
223	A	223	PRO	0	-0.064	-0.020	31.600	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	224	SER	0	0.038	0.007	29.243	-0.003	-0.003	0.000	0.000	0.000	0.000
225	A	225	HIS	0	0.064	0.019	31.281	-0.004	-0.004	0.000	0.000	0.000	0.000
226	A	226	ARG	1	0.888	0.938	34.307	0.005	0.005	0.000	0.000	0.000	0.000
227	A	227	ALA	0	0.038	0.031	31.397	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	228	LEU	0	-0.018	-0.012	28.734	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	229	ALA	0	-0.053	-0.019	32.607	-0.003	-0.003	0.000	0.000	0.000	0.000
230	A	230	ILE	0	0.041	0.018	35.209	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	231	PHE	0	0.004	-0.004	29.349	-0.002	-0.002	0.000	0.000	0.000	0.000
232	A	232	ARG	1	0.807	0.910	33.743	0.041	0.041	0.000	0.000	0.000	0.000
233	A	233	GLY	0	0.003	0.037	35.946	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	234	ARG	1	0.914	0.945	32.678	0.060	0.060	0.000	0.000	0.000	0.000
235	A	235	ASN	0	-0.055	-0.055	34.739	0.003	0.003	0.000	0.000	0.000	0.000
236	A	236	GLU	-1	-0.977	-0.970	36.443	-0.039	-0.039	0.000	0.000	0.000	0.000
237	A	237	GLY	0	0.041	0.041	39.457	0.000	0.000	0.000	0.000	0.000	0.000
238	A	238	VAL	0	0.052	0.018	40.307	0.002	0.002	0.000	0.000	0.000	0.000
239	A	239	LEU	0	-0.056	-0.037	39.379	0.002	0.002	0.000	0.000	0.000	0.000
240	A	240	SER	0	-0.068	-0.023	38.894	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	241	ALA	0	0.025	0.003	35.000	0.001	0.001	0.000	0.000	0.000	0.000
242	A	242	SER	0	-0.053	-0.031	35.261	0.000	0.000	0.000	0.000	0.000	0.000
243	A	243	LEU	0	0.026	0.018	30.588	0.001	0.001	0.000	0.000	0.000	0.000
244	A	244	LYS	1	0.923	0.959	35.219	0.004	0.004	0.000	0.000	0.000	0.000
245	A	245	VAL	0	0.011	0.002	35.368	0.001	0.001	0.000	0.000	0.000	0.000
246	A	246	GLY	0	0.012	0.019	38.257	0.000	0.000	0.000	0.000	0.000	0.000
247	A	247	GLU	-1	-0.928	-0.967	41.841	0.010	0.010	0.000	0.000	0.000	0.000
248	A	248	GLU	-1	-0.971	-0.984	44.549	0.002	0.002	0.000	0.000	0.000	0.000
249	A	249	ALA	0	-0.003	-0.004	45.421	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	250	PRO	0	-0.011	-0.010	47.151	0.001	0.001	0.000	0.000	0.000	0.000
251	A	251	GLY	0	-0.049	-0.028	48.131	0.000	0.000	0.000	0.000	0.000	0.000
252	A	252	THR	0	-0.007	0.004	45.092	0.001	0.001	0.000	0.000	0.000	0.000
253	A	253	LEU	0	-0.049	-0.016	42.312	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	254	HIS	0	0.075	0.051	35.888	0.003	0.003	0.000	0.000	0.000	0.000
255	A	255	PRO	0	0.079	0.028	37.270	0.002	0.002	0.000	0.000	0.000	0.000
256	A	256	CYS	0	0.006	-0.003	33.228	0.004	0.004	0.000	0.000	0.000	0.000
257	A	257	GLU	-1	-0.875	-0.945	35.403	0.014	0.014	0.000	0.000	0.000	0.000
258	A	258	VAL	0	0.011	0.007	37.896	0.001	0.001	0.000	0.000	0.000	0.000
259	A	259	MET	0	-0.027	-0.003	32.712	0.003	0.003	0.000	0.000	0.000	0.000
260	A	260	ILE	0	-0.013	-0.006	33.213	0.003	0.003	0.000	0.000	0.000	0.000
261	A	261	ALA	0	0.002	-0.011	34.713	0.002	0.002	0.000	0.000	0.000	0.000
262	A	262	GLU	-1	-0.967	-0.972	36.034	0.047	0.047	0.000	0.000	0.000	0.000
263	A	263	ARG	1	0.817	0.924	27.714	-0.067	-0.067	0.000	0.000	0.000	0.000
264	A	264	PHE	0	-0.044	-0.032	30.746	0.004	0.004	0.000	0.000	0.000	0.000
265	A	265	GLY	0	0.018	0.026	35.642	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	266	LEU	0	-0.054	-0.028	38.518	-0.003	-0.003	0.000	0.000	0.000	0.000
267	A	267	SER	0	-0.031	-0.011	40.966	-0.002	-0.002	0.000	0.000	0.000	0.000
268	A	268	ASN	0	-0.003	-0.020	43.770	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	269	GLN	0	-0.023	-0.026	46.155	0.001	0.001	0.000	0.000	0.000	0.000
270	A	270	GLY	0	-0.011	-0.006	49.604	0.000	0.000	0.000	0.000	0.000	0.000
271	A	271	ARG	1	0.845	0.915	44.834	-0.023	-0.023	0.000	0.000	0.000	0.000
272	A	272	ALA	0	0.003	0.003	50.957	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	273	ALA	0	0.055	0.026	46.600	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	274	ASP	-1	-0.787	-0.865	46.245	0.019	0.019	0.000	0.000	0.000	0.000
275	A	275	LYS	1	0.948	0.974	46.375	-0.006	-0.006	0.000	0.000	0.000	0.000
276	A	276	TRP	0	0.010	0.001	41.989	0.000	0.000	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.080	0.030	41.216	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	278	ALA	0	0.001	0.016	41.669	0.001	0.001	0.000	0.000	0.000	0.000
279	A	279	GLU	-1	-0.964	-0.988	42.300	0.003	0.003	0.000	0.000	0.000	0.000
280	A	280	VAL	0	0.036	0.018	38.288	-0.002	-0.002	0.000	0.000	0.000	0.000
281	A	281	VAL	0	0.009	0.016	37.335	-0.001	-0.001	0.000	0.000	0.000	0.000
282	A	282	ARG	1	0.960	0.984	37.657	-0.005	-0.005	0.000	0.000	0.000	0.000
283	A	283	TRP	0	-0.023	-0.034	38.965	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	284	THR	0	0.007	-0.004	33.226	-0.002	-0.002	0.000	0.000	0.000	0.000
285	A	285	TRP	0	0.051	0.015	32.172	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	286	LYS	1	0.910	0.950	34.765	-0.006	-0.006	0.000	0.000	0.000	0.000
287	A	287	VAL	0	-0.049	-0.007	35.364	-0.003	-0.003	0.000	0.000	0.000	0.000
288	A	288	LYS	1	0.881	0.947	30.213	0.006	0.006	0.000	0.000	0.000	0.000
289	A	289	LEU	0	0.052	0.026	28.978	-0.003	-0.003	0.000	0.000	0.000	0.000
290	A	290	TYR	0	-0.013	0.010	29.990	0.001	0.001	0.000	0.000	0.000	0.000
291	A	291	THR	0	0.027	0.013	30.537	-0.001	-0.001	0.000	0.000	0.000	0.000
292	A	292	HIS	0	-0.027	-0.023	23.000	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	293	LEU	0	0.003	-0.001	25.863	0.000	0.000	0.000	0.000	0.000	0.000
294	A	294	GLU	-1	-0.882	-0.929	27.655	-0.014	-0.014	0.000	0.000	0.000	0.000
295	A	295	THR	0	-0.008	-0.016	24.982	-0.005	-0.005	0.000	0.000	0.000	0.000
296	A	296	ASP	-1	-0.831	-0.896	23.022	0.004	0.004	0.000	0.000	0.000	0.000
297	A	297	LEU	0	-0.013	-0.007	24.005	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	298	PHE	0	-0.014	-0.007	26.401	-0.002	-0.002	0.000	0.000	0.000	0.000
299	A	299	GLY	0	-0.001	-0.002	23.860	-0.004	-0.004	0.000	0.000	0.000	0.000
300	A	300	GLU	-1	-0.908	-0.951	21.816	0.036	0.036	0.000	0.000	0.000	0.000
301	A	301	LEU	0	-0.038	-0.021	23.130	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	302	ARG	1	0.918	0.955	25.517	0.053	0.053	0.000	0.000	0.000	0.000
303	A	303	ASP	-1	-0.902	-0.943	20.404	-0.073	-0.073	0.000	0.000	0.000	0.000
304	A	304	GLY	0	0.011	0.014	23.184	-0.005	-0.005	0.000	0.000	0.000	0.000
305	A	305	ALA	0	-0.011	-0.002	24.290	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	306	GLU	-1	-0.863	-0.954	24.057	-0.093	-0.093	0.000	0.000	0.000	0.000
307	A	307	ASP	-1	-0.823	-0.904	20.159	-0.094	-0.094	0.000	0.000	0.000	0.000
308	A	308	GLU	-1	-0.946	-0.962	23.554	-0.020	-0.020	0.000	0.000	0.000	0.000
309	A	309	ALA	0	-0.006	-0.013	26.348	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	310	ILE	0	-0.038	-0.043	24.261	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	311	SER	0	0.007	0.008	24.242	-0.005	-0.005	0.000	0.000	0.000	0.000
312	A	312	VAL	0	-0.029	-0.005	26.243	0.001	0.001	0.000	0.000	0.000	0.000
313	A	313	PHE	0	-0.034	-0.003	29.033	0.001	0.001	0.000	0.000	0.000	0.000
314	A	314	ALA	0	0.037	0.013	26.328	0.001	0.001	0.000	0.000	0.000	0.000
315	A	315	ARG	1	0.974	0.994	28.302	0.033	0.033	0.000	0.000	0.000	0.000
316	A	316	ASN	0	-0.020	-0.015	30.254	0.004	0.004	0.000	0.000	0.000	0.000
317	A	317	LEU	0	-0.013	-0.016	29.523	0.002	0.002	0.000	0.000	0.000	0.000
318	A	318	HIS	0	-0.003	-0.004	28.295	-0.002	-0.002	0.000	0.000	0.000	0.000
319	A	319	ASP	-1	-0.880	-0.948	31.105	-0.038	-0.038	0.000	0.000	0.000	0.000
320	A	320	LEU	0	-0.109	-0.050	34.473	0.003	0.003	0.000	0.000	0.000	0.000
321	A	321	LEU	0	-0.048	-0.030	30.698	0.002	0.002	0.000	0.000	0.000	0.000
322	A	322	LEU	0	-0.010	-0.004	30.630	0.001	0.001	0.000	0.000	0.000	0.000
323	A	323	ALA	0	0.013	0.010	35.005	0.004	0.004	0.000	0.000	0.000	0.000
324	A	324	ALA	0	-0.014	-0.013	38.627	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	325	PRO	0	-0.021	0.002	39.504	0.000	0.000	0.000	0.000	0.000	0.000
326	A	326	ALA	0	0.013	-0.006	42.304	0.002	0.002	0.000	0.000	0.000	0.000
327	A	327	GLY	0	-0.017	-0.005	44.855	0.002	0.002	0.000	0.000	0.000	0.000
328	A	328	PRO	0	-0.017	-0.007	45.582	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	329	ARG	1	0.930	0.955	47.746	0.023	0.023	0.000	0.000	0.000	0.000
330	A	330	ALA	0	0.040	0.044	50.830	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	331	THR	0	-0.045	-0.036	50.486	0.001	0.001	0.000	0.000	0.000	0.000
332	A	332	LEU	0	-0.010	-0.005	53.088	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	333	GLY	0	-0.004	0.002	52.323	0.000	0.000	0.000	0.000	0.000	0.000
334	A	334	LEU	0	-0.039	-0.036	53.063	0.000	0.000	0.000	0.000	0.000	0.000
335	A	335	ASP	-1	-0.825	-0.933	51.481	-0.033	-0.033	0.000	0.000	0.000	0.000
336	A	336	PRO	0	-0.073	-0.019	52.731	0.001	0.001	0.000	0.000	0.000	0.000
337	A	337	GLY	0	0.059	0.022	54.725	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	338	LEU	0	-0.044	-0.002	57.192	0.000	0.000	0.000	0.000	0.000	0.000
339	A	339	ARG	1	0.946	0.948	52.487	0.030	0.030	0.000	0.000	0.000	0.000
340	A	340	THR	0	0.014	0.006	56.359	0.001	0.001	0.000	0.000	0.000	0.000
341	A	341	GLY	0	0.037	0.024	59.457	0.000	0.000	0.000	0.000	0.000	0.000
342	A	342	VAL	0	-0.055	-0.017	57.119	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	343	LYS	1	0.853	0.938	54.592	0.030	0.030	0.000	0.000	0.000	0.000
344	A	344	VAL	0	-0.002	-0.013	55.707	0.000	0.000	0.000	0.000	0.000	0.000
345	A	345	ALA	0	0.009	0.008	53.196	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	346	VAL	0	0.005	0.012	55.001	0.001	0.001	0.000	0.000	0.000	0.000
347	A	347	VAL	0	-0.004	0.010	49.582	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	348	ASP	-1	-0.758	-0.876	51.387	-0.029	-0.029	0.000	0.000	0.000	0.000
349	A	349	ALA	0	0.015	0.006	50.371	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	350	THR	0	-0.072	-0.049	47.580	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	351	GLY	0	0.055	0.037	46.952	-0.002	-0.002	0.000	0.000	0.000	0.000
352	A	352	LYS	1	0.916	0.963	48.196	0.031	0.031	0.000	0.000	0.000	0.000
353	A	353	LEU	0	-0.003	0.003	50.590	0.001	0.001	0.000	0.000	0.000	0.000
354	A	354	LEU	0	-0.075	-0.045	52.955	0.000	0.000	0.000	0.000	0.000	0.000
355	A	355	ASP	-1	-0.887	-0.958	56.520	-0.024	-0.024	0.000	0.000	0.000	0.000
356	A	356	THR	0	-0.025	0.004	55.446	0.000	0.000	0.000	0.000	0.000	0.000
357	A	357	ALA	0	0.020	0.007	58.098	0.001	0.001	0.000	0.000	0.000	0.000
358	A	358	THR	0	0.026	0.019	59.210	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	359	VAL	0	-0.023	0.014	61.242	0.001	0.001	0.000	0.000	0.000	0.000
360	A	360	TYR	0	-0.006	-0.035	62.569	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	361	PRO	0	0.020	0.028	62.614	0.001	0.001	0.000	0.000	0.000	0.000
362	A	362	HIS	0	0.012	-0.004	59.658	0.001	0.001	0.000	0.000	0.000	0.000
363	A	363	ALA	0	0.074	0.021	64.705	0.000	0.000	0.000	0.000	0.000	0.000
364	A	364	PRO	0	-0.054	-0.029	63.509	0.001	0.001	0.000	0.000	0.000	0.000
365	A	365	LYS	1	0.885	0.948	66.787	0.020	0.020	0.000	0.000	0.000	0.000
366	A	366	ASN	0	0.021	0.028	68.467	0.000	0.000	0.000	0.000	0.000	0.000
367	A	367	GLN	0	0.016	-0.006	68.335	0.000	0.000	0.000	0.000	0.000	0.000
368	A	368	TRP	0	-0.035	-0.003	63.508	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	369	ASP	-1	-0.914	-0.965	68.283	-0.014	-0.014	0.000	0.000	0.000	0.000
370	A	370	GLN	0	0.052	0.035	69.226	0.000	0.000	0.000	0.000	0.000	0.000
371	A	371	THR	0	0.000	-0.021	63.602	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	372	LEU	0	0.018	0.010	64.813	0.000	0.000	0.000	0.000	0.000	0.000
373	A	373	ALA	0	0.049	0.033	66.373	0.000	0.000	0.000	0.000	0.000	0.000
374	A	374	VAL	0	-0.022	-0.006	63.919	0.000	0.000	0.000	0.000	0.000	0.000
375	A	375	LEU	0	0.024	-0.001	60.585	0.000	0.000	0.000	0.000	0.000	0.000
376	A	376	ALA	0	0.045	0.028	62.901	0.000	0.000	0.000	0.000	0.000	0.000
377	A	377	ALA	0	-0.023	-0.006	65.077	0.000	0.000	0.000	0.000	0.000	0.000
378	A	378	LEU	0	-0.027	-0.017	60.569	0.000	0.000	0.000	0.000	0.000	0.000
379	A	379	CYS	0	-0.017	-0.017	60.264	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	380	ALA	0	0.006	0.009	61.287	0.000	0.000	0.000	0.000	0.000	0.000
381	A	381	LYS	1	0.855	0.934	62.875	0.021	0.021	0.000	0.000	0.000	0.000
382	A	382	HIS	0	0.002	-0.007	58.207	0.000	0.000	0.000	0.000	0.000	0.000
383	A	383	GLN	0	0.001	0.007	58.290	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	384	VAL	0	-0.046	-0.015	55.886	0.000	0.000	0.000	0.000	0.000	0.000
385	A	385	GLU	-1	-0.933	-0.952	54.215	-0.019	-0.019	0.000	0.000	0.000	0.000
386	A	386	LEU	0	-0.018	-0.014	49.956	0.001	0.001	0.000	0.000	0.000	0.000
387	A	387	ILE	0	0.011	-0.005	54.013	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	388	ALA	0	0.004	0.020	49.683	0.000	0.000	0.000	0.000	0.000	0.000
389	A	389	ILE	0	-0.024	-0.017	51.599	0.000	0.000	0.000	0.000	0.000	0.000
390	A	390	GLY	0	0.066	0.048	49.443	-0.001	-0.001	0.000	0.000	0.000	0.000
391	A	391	ASN	0	0.018	-0.020	46.113	0.000	0.000	0.000	0.000	0.000	0.000
392	A	392	GLY	0	0.104	0.060	49.861	0.000	0.000	0.000	0.000	0.000	0.000
393	A	393	THR	0	-0.034	-0.039	51.000	0.002	0.002	0.000	0.000	0.000	0.000
394	A	394	ALA	0	0.023	0.006	54.197	0.000	0.000	0.000	0.000	0.000	0.000
395	A	395	SER	0	0.049	0.047	53.035	0.001	0.001	0.000	0.000	0.000	0.000
396	A	396	ARG	1	0.973	0.983	55.272	0.018	0.018	0.000	0.000	0.000	0.000
397	A	397	GLU	-1	-0.912	-0.949	57.583	-0.017	-0.017	0.000	0.000	0.000	0.000
398	A	398	THR	0	-0.019	-0.048	56.941	0.001	0.001	0.000	0.000	0.000	0.000
399	A	399	ASP	-1	-0.833	-0.933	56.405	-0.018	-0.018	0.000	0.000	0.000	0.000
400	A	400	LYS	1	0.944	0.978	58.117	0.015	0.015	0.000	0.000	0.000	0.000
401	A	401	LEU	0	-0.008	0.002	61.373	0.001	0.001	0.000	0.000	0.000	0.000
402	A	402	ALA	0	0.005	0.019	58.141	0.001	0.001	0.000	0.000	0.000	0.000
403	A	403	GLY	0	0.016	0.011	60.138	0.000	0.000	0.000	0.000	0.000	0.000
404	A	404	GLU	-1	-0.900	-0.961	61.121	-0.013	-0.013	0.000	0.000	0.000	0.000
405	A	405	LEU	0	-0.044	-0.026	61.062	0.001	0.001	0.000	0.000	0.000	0.000
406	A	406	ILE	0	0.022	0.005	58.115	0.000	0.000	0.000	0.000	0.000	0.000
407	A	407	LYS	1	0.941	0.984	62.656	0.011	0.011	0.000	0.000	0.000	0.000
408	A	408	LYS	1	0.870	0.936	65.624	0.014	0.014	0.000	0.000	0.000	0.000
409	A	409	TYR	0	-0.011	-0.001	65.287	0.000	0.000	0.000	0.000	0.000	0.000
410	A	410	PRO	0	0.051	0.029	64.465	0.000	0.000	0.000	0.000	0.000	0.000
411	A	411	GLY	0	-0.059	-0.029	64.698	0.000	0.000	0.000	0.000	0.000	0.000
412	A	412	MET	0	-0.055	-0.027	62.159	0.000	0.000	0.000	0.000	0.000	0.000
413	A	413	LYS	1	0.898	0.958	59.705	0.012	0.012	0.000	0.000	0.000	0.000
414	A	414	LEU	0	0.047	0.038	58.201	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	415	THR	0	-0.009	-0.004	53.656	0.001	0.001	0.000	0.000	0.000	0.000
416	A	416	LYS	1	0.887	0.948	54.707	0.016	0.016	0.000	0.000	0.000	0.000
417	A	417	ILE	0	0.027	0.009	48.203	0.001	0.001	0.000	0.000	0.000	0.000
418	A	418	MET	0	-0.047	-0.005	50.118	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	419	VAL	0	0.014	0.000	45.139	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	420	SER	0	-0.046	-0.021	43.020	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	421	GLU	-1	-0.873	-0.963	44.882	-0.037	-0.037	0.000	0.000	0.000	0.000
422	A	422	ALA	0	0.003	0.011	41.909	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	423	GLY	0	0.050	0.019	40.674	-0.002	-0.002	0.000	0.000	0.000	0.000
424	A	424	ALA	0	0.025	0.011	41.464	-0.002	-0.002	0.000	0.000	0.000	0.000
425	A	425	SER	0	-0.020	-0.002	44.114	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	426	VAL	0	0.016	0.011	38.832	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	427	TYR	0	0.004	-0.020	41.929	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	428	SER	0	-0.065	-0.010	42.897	0.000	0.000	0.000	0.000	0.000	0.000
429	A	429	ALA	0	-0.016	-0.012	44.361	0.001	0.001	0.000	0.000	0.000	0.000
430	A	430	SER	0	-0.061	-0.037	40.973	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	431	GLU	-1	-0.895	-0.966	40.803	-0.069	-0.069	0.000	0.000	0.000	0.000
432	A	432	LEU	0	-0.052	-0.023	39.619	0.002	0.002	0.000	0.000	0.000	0.000
433	A	433	ALA	0	0.078	0.029	42.229	0.002	0.002	0.000	0.000	0.000	0.000
434	A	434	ALA	0	-0.045	-0.012	45.264	0.003	0.003	0.000	0.000	0.000	0.000
435	A	435	LYS	1	0.926	0.949	40.949	0.068	0.068	0.000	0.000	0.000	0.000
436	A	436	GLU	-1	-0.876	-0.907	43.729	-0.051	-0.051	0.000	0.000	0.000	0.000
437	A	437	PHE	0	-0.003	-0.006	47.181	0.002	0.002	0.000	0.000	0.000	0.000
438	A	438	PRO	0	0.047	0.027	50.282	0.001	0.001	0.000	0.000	0.000	0.000
439	A	439	GLU	-1	-0.949	-0.975	52.001	-0.036	-0.036	0.000	0.000	0.000	0.000
440	A	440	LEU	0	-0.044	-0.009	52.213	0.002	0.002	0.000	0.000	0.000	0.000
441	A	441	ASP	-1	-0.830	-0.907	53.594	-0.034	-0.034	0.000	0.000	0.000	0.000
442	A	442	VAL	0	0.031	-0.017	49.325	0.000	0.000	0.000	0.000	0.000	0.000
443	A	443	SER	0	-0.102	-0.060	51.127	0.000	0.000	0.000	0.000	0.000	0.000
444	A	444	LEU	0	0.034	0.011	53.413	0.001	0.001	0.000	0.000	0.000	0.000
445	A	445	ARG	1	0.863	0.939	48.508	0.043	0.043	0.000	0.000	0.000	0.000
446	A	446	GLY	0	0.057	0.033	47.963	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	447	ALA	0	0.017	0.005	48.864	0.000	0.000	0.000	0.000	0.000	0.000
448	A	448	VAL	0	0.000	-0.006	48.486	0.001	0.001	0.000	0.000	0.000	0.000
449	A	449	SER	0	-0.037	-0.019	44.331	0.000	0.000	0.000	0.000	0.000	0.000
450	A	450	ILE	0	-0.044	-0.027	45.776	0.000	0.000	0.000	0.000	0.000	0.000
451	A	451	ALA	0	0.014	-0.007	47.361	0.000	0.000	0.000	0.000	0.000	0.000
452	A	452	ARG	1	0.885	0.959	44.568	0.043	0.043	0.000	0.000	0.000	0.000
453	A	453	ARG	1	0.912	0.962	40.036	0.043	0.043	0.000	0.000	0.000	0.000
454	A	454	LEU	0	-0.033	-0.014	43.339	0.000	0.000	0.000	0.000	0.000	0.000
455	A	455	GLN	0	-0.042	-0.034	45.087	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	456	ASP	-1	-0.787	-0.912	39.162	-0.044	-0.044	0.000	0.000	0.000	0.000
457	A	457	PRO	0	0.019	0.014	38.873	-0.003	-0.003	0.000	0.000	0.000	0.000
458	A	458	LEU	0	0.016	0.022	32.696	-0.003	-0.003	0.000	0.000	0.000	0.000
459	A	459	ALA	0	-0.016	-0.010	36.606	-0.004	-0.004	0.000	0.000	0.000	0.000
460	A	460	GLU	-1	-0.799	-0.900	38.338	-0.051	-0.051	0.000	0.000	0.000	0.000
461	A	461	LEU	0	-0.033	-0.025	36.537	-0.002	-0.002	0.000	0.000	0.000	0.000
462	A	462	VAL	0	-0.026	0.000	32.742	-0.004	-0.004	0.000	0.000	0.000	0.000
463	A	463	LYS	1	0.771	0.893	35.053	0.048	0.048	0.000	0.000	0.000	0.000
464	A	464	ILE	0	-0.059	-0.010	36.471	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	465	GLU	-1	-0.864	-0.944	32.384	-0.098	-0.098	0.000	0.000	0.000	0.000
466	A	466	PRO	0	0.063	0.017	29.407	0.006	0.006	0.000	0.000	0.000	0.000
467	A	467	LYS	1	0.882	0.939	29.615	0.109	0.109	0.000	0.000	0.000	0.000
468	A	468	SER	0	0.023	0.005	32.576	0.004	0.004	0.000	0.000	0.000	0.000
469	A	469	ILE	0	-0.041	0.006	33.569	0.005	0.005	0.000	0.000	0.000	0.000
470	A	470	GLY	0	-0.033	0.000	35.899	0.004	0.004	0.000	0.000	0.000	0.000
471	A	471	VAL	0	-0.024	-0.007	31.183	0.003	0.003	0.000	0.000	0.000	0.000
472	A	472	GLY	0	0.034	-0.026	34.174	0.003	0.003	0.000	0.000	0.000	0.000
473	A	473	GLN	0	-0.049	-0.003	35.142	0.000	0.000	0.000	0.000	0.000	0.000
474	A	474	TYR	0	0.005	-0.011	35.589	0.000	0.000	0.000	0.000	0.000	0.000
475	A	475	GLN	0	0.067	0.040	31.990	0.004	0.004	0.000	0.000	0.000	0.000
476	A	476	HIS	0	-0.051	-0.020	31.539	-0.009	-0.009	0.000	0.000	0.000	0.000
477	A	477	ASP	-1	-0.896	-0.961	32.560	-0.053	-0.053	0.000	0.000	0.000	0.000
478	A	478	VAL	0	0.004	0.024	27.185	0.002	0.002	0.000	0.000	0.000	0.000
479	A	479	SER	0	0.012	0.004	23.195	-0.007	-0.007	0.000	0.000	0.000	0.000
480	A	480	GLN	0	-0.005	-0.024	25.989	-0.004	-0.004	0.000	0.000	0.000	0.000
481	A	481	LEU	0	-0.011	-0.002	22.054	-0.003	-0.003	0.000	0.000	0.000	0.000
482	A	482	LYS	1	0.838	0.911	19.932	0.095	0.095	0.000	0.000	0.000	0.000
483	A	483	LEU	0	0.028	0.030	22.342	0.000	0.000	0.000	0.000	0.000	0.000
484	A	484	ALA	0	-0.024	-0.018	24.874	0.002	0.002	0.000	0.000	0.000	0.000
485	A	485	ARG	1	0.975	0.987	17.348	0.285	0.285	0.000	0.000	0.000	0.000
486	A	486	SER	0	0.002	0.005	22.185	-0.003	-0.003	0.000	0.000	0.000	0.000
487	A	487	LEU	0	0.006	-0.011	23.151	0.006	0.006	0.000	0.000	0.000	0.000
488	A	488	ASP	-1	-0.896	-0.953	23.815	-0.143	-0.143	0.000	0.000	0.000	0.000
489	A	489	ALA	0	-0.009	0.006	21.563	0.001	0.001	0.000	0.000	0.000	0.000
490	A	490	VAL	0	0.040	0.031	23.317	0.008	0.008	0.000	0.000	0.000	0.000
491	A	491	VAL	0	-0.017	-0.025	26.281	0.008	0.008	0.000	0.000	0.000	0.000
492	A	492	GLU	-1	-0.894	-0.914	21.439	-0.170	-0.170	0.000	0.000	0.000	0.000
493	A	493	ASP	-1	-0.768	-0.865	22.716	-0.117	-0.117	0.000	0.000	0.000	0.000
494	A	494	CYS	0	-0.051	-0.021	25.443	0.012	0.012	0.000	0.000	0.000	0.000
495	A	495	VAL	0	-0.009	-0.005	28.960	0.007	0.007	0.000	0.000	0.000	0.000
496	A	496	ASN	0	-0.037	-0.030	25.862	0.009	0.009	0.000	0.000	0.000	0.000
497	A	497	ALA	0	-0.013	0.013	27.943	0.006	0.006	0.000	0.000	0.000	0.000
498	A	498	VAL	0	-0.047	-0.023	28.987	0.007	0.007	0.000	0.000	0.000	0.000
499	A	499	GLY	0	0.004	0.014	31.153	0.004	0.004	0.000	0.000	0.000	0.000
500	A	500	VAL	0	-0.008	-0.024	32.106	0.002	0.002	0.000	0.000	0.000	0.000
501	A	501	ASP	-1	-0.889	-0.929	34.506	-0.040	-0.040	0.000	0.000	0.000	0.000
502	A	502	VAL	0	0.054	0.012	35.482	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	503	ASN	0	-0.013	-0.006	37.280	-0.003	-0.003	0.000	0.000	0.000	0.000
504	A	504	THR	0	-0.010	-0.002	40.506	0.000	0.000	0.000	0.000	0.000	0.000
505	A	505	ALA	0	-0.016	0.020	36.551	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	506	SER	0	0.065	0.028	38.225	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	507	ALA	0	0.069	0.017	36.261	-0.002	-0.002	0.000	0.000	0.000	0.000
508	A	508	ALA	0	-0.008	-0.007	34.434	-0.005	-0.005	0.000	0.000	0.000	0.000
509	A	509	LEU	0	0.037	0.017	33.251	-0.005	-0.005	0.000	0.000	0.000	0.000
510	A	510	LEU	0	0.017	0.001	32.147	-0.004	-0.004	0.000	0.000	0.000	0.000
511	A	511	ALA	0	-0.027	-0.010	30.357	-0.006	-0.006	0.000	0.000	0.000	0.000
512	A	512	ARG	1	0.874	0.947	27.488	0.107	0.107	0.000	0.000	0.000	0.000
513	A	513	ILE	0	0.002	0.014	27.202	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	514	SER	0	0.029	0.004	23.056	-0.016	-0.016	0.000	0.000	0.000	0.000
515	A	515	GLY	0	0.024	0.000	23.119	0.009	0.009	0.000	0.000	0.000	0.000
516	A	516	LEU	0	-0.100	-0.047	24.031	0.000	0.000	0.000	0.000	0.000	0.000
517	A	517	ASN	0	0.067	0.032	26.257	0.000	0.000	0.000	0.000	0.000	0.000
518	A	518	SER	0	0.056	-0.002	28.380	0.010	0.010	0.000	0.000	0.000	0.000
519	A	519	THR	0	-0.028	-0.002	30.944	0.007	0.007	0.000	0.000	0.000	0.000
520	A	520	LEU	0	-0.012	-0.001	27.610	0.008	0.008	0.000	0.000	0.000	0.000
521	A	521	ALA	0	0.042	0.026	31.830	0.007	0.007	0.000	0.000	0.000	0.000
522	A	522	GLN	0	0.005	-0.001	33.532	0.006	0.006	0.000	0.000	0.000	0.000
523	A	523	ASN	0	-0.050	-0.042	34.119	0.006	0.006	0.000	0.000	0.000	0.000
524	A	524	ILE	0	-0.004	0.010	32.543	0.005	0.005	0.000	0.000	0.000	0.000
525	A	525	VAL	0	-0.019	-0.014	36.886	0.004	0.004	0.000	0.000	0.000	0.000
526	A	526	ALA	0	0.005	0.015	39.598	0.003	0.003	0.000	0.000	0.000	0.000
527	A	527	HIS	0	0.008	0.001	39.270	0.001	0.001	0.000	0.000	0.000	0.000
528	A	528	ARG	1	0.833	0.919	39.272	0.056	0.056	0.000	0.000	0.000	0.000
529	A	529	ASP	-1	-0.956	-0.968	42.511	-0.047	-0.047	0.000	0.000	0.000	0.000
530	A	530	ALA	0	-0.090	-0.045	44.487	0.003	0.003	0.000	0.000	0.000	0.000
531	A	531	ASN	0	-0.070	-0.050	43.963	0.001	0.001	0.000	0.000	0.000	0.000
532	A	532	GLY	0	0.007	0.022	45.754	0.002	0.002	0.000	0.000	0.000	0.000
533	A	533	ALA	0	-0.061	-0.034	43.460	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	534	PHE	0	0.024	0.015	38.290	0.000	0.000	0.000	0.000	0.000	0.000
535	A	535	ARG	1	0.847	0.894	41.365	0.028	0.028	0.000	0.000	0.000	0.000
536	A	536	THR	0	-0.009	-0.017	38.823	0.002	0.002	0.000	0.000	0.000	0.000
537	A	537	ARG	1	0.861	0.894	32.672	0.039	0.039	0.000	0.000	0.000	0.000
538	A	538	ASP	-1	-0.929	-0.959	34.794	-0.042	-0.042	0.000	0.000	0.000	0.000
539	A	539	GLU	-1	-0.896	-0.962	35.857	-0.039	-0.039	0.000	0.000	0.000	0.000
540	A	540	LEU	0	0.017	0.002	32.992	-0.003	-0.003	0.000	0.000	0.000	0.000
541	A	541	LYS	1	0.871	0.954	31.216	0.040	0.040	0.000	0.000	0.000	0.000
542	A	542	LYS	1	0.885	0.947	34.011	0.043	0.043	0.000	0.000	0.000	0.000
543	A	543	VAL	0	0.001	0.031	34.405	0.000	0.000	0.000	0.000	0.000	0.000
544	A	544	SER	0	0.009	0.002	34.133	-0.005	-0.005	0.000	0.000	0.000	0.000
545	A	545	ARG	1	0.926	0.932	29.876	0.108	0.108	0.000	0.000	0.000	0.000
546	A	546	LEU	0	0.008	0.025	29.512	-0.010	-0.010	0.000	0.000	0.000	0.000
547	A	547	GLY	0	0.006	0.002	27.699	0.006	0.006	0.000	0.000	0.000	0.000
548	A	548	GLU	-1	-0.906	-0.960	25.735	-0.061	-0.061	0.000	0.000	0.000	0.000
549	A	549	LYS	1	1.022	1.006	18.334	0.208	0.208	0.000	0.000	0.000	0.000
550	A	550	THR	0	-0.004	0.001	23.474	-0.006	-0.006	0.000	0.000	0.000	0.000
551	A	551	PHE	0	-0.013	-0.012	25.456	0.003	0.003	0.000	0.000	0.000	0.000
552	A	552	GLU	-1	-0.940	-0.963	21.126	-0.069	-0.069	0.000	0.000	0.000	0.000
553	A	553	GLN	0	0.081	0.051	19.256	-0.005	-0.005	0.000	0.000	0.000	0.000
554	A	554	ALA	0	0.061	0.046	23.479	0.002	0.002	0.000	0.000	0.000	0.000
555	A	555	ALA	0	-0.016	-0.011	26.947	0.006	0.006	0.000	0.000	0.000	0.000
556	A	556	GLY	0	-0.005	-0.001	27.766	0.004	0.004	0.000	0.000	0.000	0.000
557	A	557	PHE	0	-0.021	-0.008	23.950	0.005	0.005	0.000	0.000	0.000	0.000
558	A	558	LEU	0	-0.056	-0.013	29.570	0.001	0.001	0.000	0.000	0.000	0.000
559	A	559	ARG	1	0.861	0.913	32.541	0.046	0.046	0.000	0.000	0.000	0.000
560	A	560	VAL	0	-0.009	-0.015	35.647	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	561	MET	0	0.024	0.037	38.924	0.002	0.002	0.000	0.000	0.000	0.000
562	A	562	ASN	0	-0.065	-0.032	41.676	0.001	0.001	0.000	0.000	0.000	0.000
563	A	563	GLY	0	0.081	0.047	42.749	0.000	0.000	0.000	0.000	0.000	0.000
564	A	564	ASP	-1	-0.853	-0.912	43.686	-0.023	-0.023	0.000	0.000	0.000	0.000
565	A	565	ASN	0	0.000	0.002	38.170	0.003	0.003	0.000	0.000	0.000	0.000
566	A	566	PRO	0	-0.019	-0.018	40.316	-0.002	-0.002	0.000	0.000	0.000	0.000
567	A	567	LEU	0	0.022	0.011	35.634	0.000	0.000	0.000	0.000	0.000	0.000
568	A	568	ASP	-1	-0.732	-0.851	35.604	-0.035	-0.035	0.000	0.000	0.000	0.000
569	A	569	ALA	0	-0.021	0.007	36.382	-0.004	-0.004	0.000	0.000	0.000	0.000
570	A	570	SER	0	-0.035	-0.022	34.832	0.001	0.001	0.000	0.000	0.000	0.000
571	A	571	ALA	0	0.006	0.010	29.814	-0.004	-0.004	0.000	0.000	0.000	0.000
572	A	572	VAL	0	0.003	0.013	29.642	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	573	HIS	0	0.079	0.048	25.543	0.005	0.005	0.000	0.000	0.000	0.000
574	A	574	PRO	0	0.015	-0.007	29.035	0.006	0.006	0.000	0.000	0.000	0.000
575	A	575	GLU	-1	-0.901	-0.954	24.015	-0.025	-0.025	0.000	0.000	0.000	0.000
576	A	576	THR	0	-0.067	-0.033	27.411	0.007	0.007	0.000	0.000	0.000	0.000
577	A	577	TYR	0	-0.026	-0.039	30.000	0.003	0.003	0.000	0.000	0.000	0.000
578	A	578	PRO	0	0.026	0.006	31.892	0.002	0.002	0.000	0.000	0.000	0.000
579	A	579	LEU	0	-0.010	0.000	29.806	0.002	0.002	0.000	0.000	0.000	0.000
580	A	580	VAL	0	0.058	0.016	33.294	0.002	0.002	0.000	0.000	0.000	0.000
581	A	581	GLN	0	-0.018	-0.003	35.621	0.000	0.000	0.000	0.000	0.000	0.000
582	A	582	ARG	1	0.947	0.973	31.267	-0.011	-0.011	0.000	0.000	0.000	0.000
583	A	583	ILE	0	0.004	0.017	34.554	0.001	0.001	0.000	0.000	0.000	0.000
584	A	584	ALA	0	-0.016	-0.004	38.591	0.000	0.000	0.000	0.000	0.000	0.000
585	A	585	ALA	0	-0.019	-0.019	41.328	0.000	0.000	0.000	0.000	0.000	0.000
586	A	586	ASP	-1	-0.898	-0.948	40.373	0.013	0.013	0.000	0.000	0.000	0.000
587	A	587	THR	0	-0.098	-0.051	41.795	0.000	0.000	0.000	0.000	0.000	0.000
588	A	588	GLU	-1	-0.965	-0.978	44.330	0.005	0.005	0.000	0.000	0.000	0.000
589	A	589	ARG	1	0.760	0.887	45.307	0.000	0.000	0.000	0.000	0.000	0.000
590	A	590	ASP	-1	-0.852	-0.928	44.746	-0.007	-0.007	0.000	0.000	0.000	0.000
591	A	591	ILE	0	0.027	0.000	39.152	0.000	0.000	0.000	0.000	0.000	0.000
592	A	592	ARG	1	0.950	0.960	42.620	0.016	0.016	0.000	0.000	0.000	0.000
593	A	593	SER	0	-0.019	-0.010	45.191	0.000	0.000	0.000	0.000	0.000	0.000
594	A	594	LEU	0	-0.049	-0.017	40.785	0.001	0.001	0.000	0.000	0.000	0.000
595	A	595	ILE	0	-0.002	0.007	40.895	0.000	0.000	0.000	0.000	0.000	0.000
596	A	596	GLY	0	0.024	0.036	42.369	0.000	0.000	0.000	0.000	0.000	0.000
597	A	597	ASP	-1	-0.881	-0.935	44.142	0.001	0.001	0.000	0.000	0.000	0.000
598	A	598	SER	0	-0.006	-0.010	41.980	0.002	0.002	0.000	0.000	0.000	0.000
599	A	599	ALA	0	-0.064	-0.050	42.624	0.002	0.002	0.000	0.000	0.000	0.000
600	A	600	PHE	0	0.006	0.001	43.556	0.002	0.002	0.000	0.000	0.000	0.000
601	A	601	LEU	0	0.057	0.029	39.370	0.002	0.002	0.000	0.000	0.000	0.000
602	A	602	LYS	1	0.919	0.971	39.376	-0.005	-0.005	0.000	0.000	0.000	0.000
603	A	603	ARG	1	0.887	0.941	40.216	-0.006	-0.006	0.000	0.000	0.000	0.000
604	A	604	LEU	0	-0.049	0.005	38.699	0.002	0.002	0.000	0.000	0.000	0.000
605	A	605	ASP	-1	-0.870	-0.948	36.065	0.026	0.026	0.000	0.000	0.000	0.000
606	A	606	PRO	0	-0.001	-0.008	32.582	0.001	0.001	0.000	0.000	0.000	0.000
607	A	607	LYS	1	0.984	0.981	30.818	-0.036	-0.036	0.000	0.000	0.000	0.000
608	A	608	LYS	1	0.848	0.955	33.074	-0.015	-0.015	0.000	0.000	0.000	0.000
609	A	609	PHE	0	-0.024	-0.032	33.518	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	610	THR	0	-0.091	-0.022	28.219	0.000	0.000	0.000	0.000	0.000	0.000
611	A	611	ASP	-1	-0.853	-0.925	26.977	0.029	0.029	0.000	0.000	0.000	0.000
612	A	612	GLU	-1	-0.950	-0.975	23.931	0.055	0.055	0.000	0.000	0.000	0.000
613	A	613	THR	0	-0.055	-0.016	22.316	0.007	0.007	0.000	0.000	0.000	0.000
614	A	614	PHE	0	0.006	-0.008	22.994	-0.003	-0.003	0.000	0.000	0.000	0.000
615	A	615	GLY	0	0.087	0.049	24.356	0.002	0.002	0.000	0.000	0.000	0.000
616	A	616	LEU	0	0.010	-0.030	25.621	-0.007	-0.007	0.000	0.000	0.000	0.000
617	A	617	PRO	0	0.019	0.032	22.824	-0.005	-0.005	0.000	0.000	0.000	0.000
618	A	618	THR	0	0.117	0.078	24.622	-0.003	-0.003	0.000	0.000	0.000	0.000
619	A	619	VAL	0	-0.013	-0.003	26.692	-0.005	-0.005	0.000	0.000	0.000	0.000
620	A	620	THR	0	-0.080	-0.082	28.746	-0.003	-0.003	0.000	0.000	0.000	0.000
621	A	621	ASP	-1	-0.890	-0.947	26.589	-0.012	-0.012	0.000	0.000	0.000	0.000
622	A	622	ILE	0	0.030	0.007	29.823	-0.003	-0.003	0.000	0.000	0.000	0.000
623	A	623	LEU	0	-0.005	-0.003	32.194	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	624	LYS	1	0.912	0.957	30.107	0.002	0.002	0.000	0.000	0.000	0.000
625	A	625	GLU	-1	-0.789	-0.880	32.246	-0.027	-0.027	0.000	0.000	0.000	0.000
626	A	626	LEU	0	-0.031	-0.018	35.074	-0.001	-0.001	0.000	0.000	0.000	0.000
627	A	627	ASP	-1	-0.881	-0.945	37.947	-0.006	-0.006	0.000	0.000	0.000	0.000
628	A	628	LYS	1	0.855	0.921	38.067	0.008	0.008	0.000	0.000	0.000	0.000
629	A	629	PRO	0	0.021	0.013	36.625	-0.002	-0.002	0.000	0.000	0.000	0.000
630	A	630	GLY	0	-0.001	-0.006	34.485	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	631	ARG	1	0.871	0.950	35.539	0.019	0.019	0.000	0.000	0.000	0.000
632	A	632	ASP	-1	-0.758	-0.857	34.915	-0.039	-0.039	0.000	0.000	0.000	0.000
633	A	633	PRO	0	-0.067	-0.028	32.050	0.004	0.004	0.000	0.000	0.000	0.000
634	A	634	ARG	1	0.763	0.860	34.367	0.042	0.042	0.000	0.000	0.000	0.000
635	A	635	PRO	0	-0.014	-0.006	36.618	0.003	0.003	0.000	0.000	0.000	0.000
636	A	636	GLU	-1	-0.941	-0.976	39.540	-0.017	-0.017	0.000	0.000	0.000	0.000
637	A	637	PHE	0	0.022	0.036	42.834	0.001	0.001	0.000	0.000	0.000	0.000
638	A	638	LYS	1	0.902	0.944	45.349	0.015	0.015	0.000	0.000	0.000	0.000
639	A	639	THR	0	0.012	-0.004	48.718	0.000	0.000	0.000	0.000	0.000	0.000
640	A	640	ALA	0	-0.045	-0.026	51.999	0.000	0.000	0.000	0.000	0.000	0.000
641	A	641	GLU	-1	-0.860	-0.924	47.810	-0.015	-0.015	0.000	0.000	0.000	0.000
642	A	642	PHE	0	-0.031	-0.014	47.202	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	643	GLN	0	-0.049	-0.036	53.262	0.000	0.000	0.000	0.000	0.000	0.000
644	A	644	GLU	-1	-0.885	-0.941	56.764	-0.014	-0.014	0.000	0.000	0.000	0.000
645	A	645	GLY	0	-0.034	-0.029	59.066	0.000	0.000	0.000	0.000	0.000	0.000
646	A	646	VAL	0	-0.011	0.005	58.851	0.000	0.000	0.000	0.000	0.000	0.000
647	A	647	GLU	-1	-0.918	-0.951	61.988	-0.008	-0.008	0.000	0.000	0.000	0.000
648	A	648	SER	0	-0.039	-0.035	63.341	0.001	0.001	0.000	0.000	0.000	0.000
649	A	649	LEU	0	0.020	0.013	60.529	0.000	0.000	0.000	0.000	0.000	0.000
650	A	650	LYS	1	0.889	0.938	60.129	0.004	0.004	0.000	0.000	0.000	0.000
651	A	651	ASP	-1	-0.912	-0.947	59.447	-0.008	-0.008	0.000	0.000	0.000	0.000
652	A	652	LEU	0	-0.025	0.008	57.023	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	653	LYS	1	0.941	0.951	52.557	0.010	0.010	0.000	0.000	0.000	0.000
654	A	654	PRO	0	-0.057	-0.043	49.959	0.000	0.000	0.000	0.000	0.000	0.000
655	A	655	GLY	0	0.072	0.044	48.452	0.000	0.000	0.000	0.000	0.000	0.000
656	A	656	MET	0	-0.011	0.038	49.105	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	657	VAL	0	-0.009	-0.026	49.006	0.001	0.001	0.000	0.000	0.000	0.000
658	A	658	LEU	0	-0.024	-0.015	52.031	0.000	0.000	0.000	0.000	0.000	0.000
659	A	659	GLU	-1	-0.964	-0.997	55.006	-0.013	-0.013	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.006	0.013	57.623	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	VAL	0	0.000	0.005	59.726	0.000	0.000	0.000	0.000	0.000	0.000
662	A	662	VAL	0	-0.042	-0.004	59.242	0.001	0.001	0.000	0.000	0.000	0.000
663	A	663	THR	0	-0.012	-0.035	61.889	0.000	0.000	0.000	0.000	0.000	0.000
664	A	664	ASN	0	-0.038	-0.030	63.622	0.001	0.001	0.000	0.000	0.000	0.000
665	A	665	VAL	0	0.010	0.011	59.566	0.000	0.000	0.000	0.000	0.000	0.000
666	A	666	THR	0	0.003	-0.003	60.715	0.000	0.000	0.000	0.000	0.000	0.000
667	A	667	ASN	0	0.020	-0.004	59.816	0.000	0.000	0.000	0.000	0.000	0.000
668	A	668	PHE	0	-0.021	-0.014	57.205	0.001	0.001	0.000	0.000	0.000	0.000
669	A	669	GLY	0	0.016	0.008	56.318	0.000	0.000	0.000	0.000	0.000	0.000
670	A	670	ALA	0	0.004	0.019	57.228	0.000	0.000	0.000	0.000	0.000	0.000
671	A	671	PHE	0	-0.056	-0.022	58.441	0.000	0.000	0.000	0.000	0.000	0.000
672	A	672	VAL	0	0.000	-0.001	57.588	0.000	0.000	0.000	0.000	0.000	0.000
673	A	673	ASP	-1	-0.794	-0.890	60.709	-0.005	-0.005	0.000	0.000	0.000	0.000
674	A	674	ILE	0	-0.060	-0.045	58.002	-0.001	-0.001	0.000	0.000	0.000	0.000
675	A	675	GLY	0	0.032	0.031	61.299	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	676	VAL	0	-0.053	-0.037	61.697	0.000	0.000	0.000	0.000	0.000	0.000
677	A	677	HIS	0	-0.060	-0.034	64.648	0.001	0.001	0.000	0.000	0.000	0.000
678	A	678	GLN	0	-0.002	-0.006	62.912	0.001	0.001	0.000	0.000	0.000	0.000
679	A	679	ASP	-1	-0.800	-0.868	62.591	-0.004	-0.004	0.000	0.000	0.000	0.000
680	A	680	GLY	0	-0.048	-0.023	58.474	0.000	0.000	0.000	0.000	0.000	0.000
681	A	681	LEU	0	-0.085	-0.041	56.615	0.000	0.000	0.000	0.000	0.000	0.000
682	A	682	VAL	0	0.007	0.014	52.783	0.000	0.000	0.000	0.000	0.000	0.000
683	A	683	HIS	0	0.025	0.001	52.046	0.001	0.001	0.000	0.000	0.000	0.000
684	A	684	ILE	0	0.069	0.021	52.118	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	685	SER	0	-0.030	-0.024	47.743	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	686	ALA	0	-0.046	-0.021	48.127	0.000	0.000	0.000	0.000	0.000	0.000
687	A	687	LEU	0	-0.008	0.018	49.795	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	688	SER	0	0.001	-0.001	48.256	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	689	GLU	-1	-0.939	-0.957	42.047	-0.011	-0.011	0.000	0.000	0.000	0.000
690	A	690	LYS	1	0.953	0.968	43.718	0.007	0.007	0.000	0.000	0.000	0.000
691	A	691	PHE	0	-0.002	0.000	45.015	0.001	0.001	0.000	0.000	0.000	0.000
692	A	692	VAL	0	0.001	0.003	46.828	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	693	LYS	1	0.922	0.963	50.556	-0.006	-0.006	0.000	0.000	0.000	0.000
694	A	694	ASP	-1	-0.848	-0.950	52.743	0.002	0.002	0.000	0.000	0.000	0.000
695	A	695	PRO	0	-0.001	-0.008	55.597	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	696	TYR	0	-0.061	-0.039	56.701	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	697	GLU	-1	-0.944	-0.949	55.082	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	698	VAL	0	-0.099	-0.045	52.458	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	699	VAL	0	-0.023	-0.011	55.228	-0.001	-0.001	0.000	0.000	0.000	0.000
700	A	700	LYS	1	0.969	0.979	57.964	0.004	0.004	0.000	0.000	0.000	0.000
701	A	701	ALA	0	0.007	0.007	61.696	0.000	0.000	0.000	0.000	0.000	0.000
702	A	702	GLY	0	-0.041	-0.018	64.119	0.000	0.000	0.000	0.000	0.000	0.000
703	A	703	ASP	-1	-0.890	-0.950	59.389	-0.007	-0.007	0.000	0.000	0.000	0.000
704	A	704	ILE	0	-0.022	-0.018	59.213	0.000	0.000	0.000	0.000	0.000	0.000
705	A	705	VAL	0	-0.004	0.017	55.367	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	706	LYS	1	0.989	0.983	51.299	0.016	0.016	0.000	0.000	0.000	0.000
707	A	707	VAL	0	-0.028	-0.010	52.283	0.000	0.000	0.000	0.000	0.000	0.000
708	A	708	LYS	1	0.993	0.984	47.121	0.013	0.013	0.000	0.000	0.000	0.000
709	A	709	VAL	0	-0.034	0.002	51.170	0.001	0.001	0.000	0.000	0.000	0.000
710	A	710	MET	0	-0.026	0.006	46.960	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	711	GLU	-1	-0.928	-0.974	49.246	-0.001	-0.001	0.000	0.000	0.000	0.000
712	A	712	VAL	0	-0.033	-0.005	52.290	0.001	0.001	0.000	0.000	0.000	0.000
713	A	713	ASP	-1	-0.847	-0.927	55.393	0.000	0.000	0.000	0.000	0.000	0.000
714	A	714	ILE	0	0.046	0.008	58.075	0.000	0.000	0.000	0.000	0.000	0.000
715	A	715	PRO	0	-0.040	-0.019	59.967	0.000	0.000	0.000	0.000	0.000	0.000
716	A	716	ARG	1	0.877	0.944	60.896	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	717	ASN	0	0.003	-0.007	62.532	0.000	0.000	0.000	0.000	0.000	0.000
718	A	718	ARG	1	0.948	0.968	58.926	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	719	VAL	0	0.095	0.034	56.039	0.000	0.000	0.000	0.000	0.000	0.000
720	A	720	GLY	0	0.002	0.014	53.982	0.000	0.000	0.000	0.000	0.000	0.000
721	A	721	LEU	0	-0.008	0.004	53.214	-0.001	-0.001	0.000	0.000	0.000	0.000
722	A	722	SER	0	0.023	0.001	48.366	0.001	0.001	0.000	0.000	0.000	0.000
723	A	723	MET	0	-0.047	-0.022	50.000	0.001	0.001	0.000	0.000	0.000	0.000
724	A	724	ARG	1	0.928	0.965	43.622	0.003	0.003	0.000	0.000	0.000	0.000
725	A	725	MET	0	0.055	0.022	40.582	-0.001	-0.001	0.000	0.000	0.000	0.000
726	A	726	SER	0	-0.058	-0.022	40.903	0.000	0.000	0.000	0.000	0.000	0.000
727	A	727	ASP	-1	-0.850	-0.918	41.246	-0.014	-0.014	0.000	0.000	0.000	0.000
728	A	728	THR	0	-0.040	-0.024	39.696	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	729	PRO	0	-0.039	-0.032	42.970	0.002	0.002	0.000	0.000	0.000	0.000
730	A	730	GLY	0	0.007	0.017	44.696	0.001	0.001	0.000	0.000	0.000	0.000

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