FMO DATABASE

FMODB ID: G65J1

Calculation Name: 1Y2M-C-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1Y2M

Chain ID: C

ChEMBL ID:

UniProt ID: P11544

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	670
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-14314701.784626
FMO2-HF: Nuclear repulsion	14061982.173775
FMO2-HF: Total energy	-252719.610851
FMO2-MP2: Total energy	-253462.41032

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(C:26:ALA)

Summations of interaction energy for fragment #1(C:26:ALA)

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.
-4.378	1.84	4.025	-4.291	-5.949	-0.018

Interaction energy analysis for fragmet #1(C:26:ALA)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.032 / q_NPA : 0.013

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	C	28	THR	0	0.027	0.010	3.825	-1.622	-0.165	-0.013	-0.739	-0.705	0.004
4	C	29	ASN	0	-0.006	0.002	6.416	0.263	0.263	0.000	0.000	0.000	0.000
5	C	30	LEU	0	0.113	0.043	8.225	-0.064	-0.064	0.000	0.000	0.000	0.000
6	C	31	ALA	0	-0.012	0.007	10.166	0.020	0.020	0.000	0.000	0.000	0.000
7	C	32	VAL	0	-0.078	-0.048	5.918	0.078	0.078	0.000	0.000	0.000	0.000
8	C	33	ALA	0	0.007	-0.003	5.783	0.021	0.021	0.000	0.000	0.000	0.000
9	C	34	GLY	0	0.026	0.021	7.149	0.051	0.051	0.000	0.000	0.000	0.000
10	C	35	SER	0	-0.041	-0.045	9.996	-0.084	-0.084	0.000	0.000	0.000	0.000
11	C	36	HIS	0	0.031	0.009	9.051	0.030	0.030	0.000	0.000	0.000	0.000
12	C	37	LEU	0	-0.022	0.002	13.631	0.034	0.034	0.000	0.000	0.000	0.000
13	C	38	PRO	0	0.037	0.018	16.230	-0.009	-0.009	0.000	0.000	0.000	0.000
14	C	39	THR	0	0.032	0.007	15.003	0.006	0.006	0.000	0.000	0.000	0.000
15	C	40	THR	0	0.016	0.007	18.468	0.000	0.000	0.000	0.000	0.000	0.000
16	C	41	GLN	0	-0.053	-0.027	15.185	-0.014	-0.014	0.000	0.000	0.000	0.000
17	C	42	VAL	0	-0.029	0.000	13.035	-0.009	-0.009	0.000	0.000	0.000	0.000
18	C	43	THR	0	0.002	0.019	15.945	0.010	0.010	0.000	0.000	0.000	0.000
19	C	44	GLN	0	0.054	-0.015	16.777	-0.005	-0.005	0.000	0.000	0.000	0.000
20	C	45	VAL	0	-0.008	-0.008	18.204	0.011	0.011	0.000	0.000	0.000	0.000
21	C	46	ASP	-1	-0.813	-0.900	15.548	-0.050	-0.050	0.000	0.000	0.000	0.000
22	C	47	ILE	0	-0.019	-0.017	12.715	0.021	0.021	0.000	0.000	0.000	0.000
23	C	48	VAL	0	-0.031	-0.016	14.549	0.026	0.026	0.000	0.000	0.000	0.000
24	C	49	GLU	-1	-0.950	-0.977	17.092	0.071	0.071	0.000	0.000	0.000	0.000
25	C	50	LYS	1	0.893	0.942	11.751	-0.060	-0.060	0.000	0.000	0.000	0.000
26	C	51	MET	0	-0.061	-0.016	13.098	0.033	0.033	0.000	0.000	0.000	0.000
27	C	52	LEU	0	-0.053	-0.039	14.370	0.022	0.022	0.000	0.000	0.000	0.000
28	C	53	ALA	0	-0.023	0.008	14.898	0.004	0.004	0.000	0.000	0.000	0.000
29	C	54	ALA	0	-0.029	0.000	13.388	0.037	0.037	0.000	0.000	0.000	0.000
30	C	55	PRO	0	0.003	0.002	13.586	-0.034	-0.034	0.000	0.000	0.000	0.000
31	C	56	THR	0	-0.024	-0.032	16.408	-0.006	-0.006	0.000	0.000	0.000	0.000
32	C	57	ASP	-1	-0.872	-0.926	19.123	0.210	0.210	0.000	0.000	0.000	0.000
33	C	58	SER	0	-0.010	-0.005	17.077	0.014	0.014	0.000	0.000	0.000	0.000
34	C	59	THR	0	-0.005	-0.019	16.080	-0.012	-0.012	0.000	0.000	0.000	0.000
35	C	60	LEU	0	-0.050	-0.011	10.286	0.053	0.053	0.000	0.000	0.000	0.000
36	C	61	GLU	-1	-0.869	-0.950	11.713	0.476	0.476	0.000	0.000	0.000	0.000
37	C	62	LEU	0	-0.046	-0.025	9.682	0.153	0.153	0.000	0.000	0.000	0.000
38	C	63	ASP	-1	-0.763	-0.854	5.488	1.781	1.781	0.000	0.000	0.000	0.000
39	C	64	GLY	0	0.018	0.013	7.349	-0.115	-0.115	0.000	0.000	0.000	0.000
40	C	65	TYR	0	-0.086	-0.055	2.039	-1.587	-0.829	1.398	-0.829	-1.326	0.005
41	C	66	SER	0	-0.007	-0.062	2.640	-1.418	1.439	1.240	-1.816	-2.281	-0.018
42	C	67	LEU	0	-0.092	-0.010	3.896	-0.642	-0.609	0.000	0.010	-0.042	0.000
43	C	68	ASN	0	0.057	0.033	5.803	-0.340	-0.340	0.000	0.000	0.000	0.000
44	C	69	LEU	0	0.043	-0.001	7.372	0.013	0.013	0.000	0.000	0.000	0.000
45	C	70	GLY	0	0.019	0.008	10.873	-0.003	-0.003	0.000	0.000	0.000	0.000
46	C	71	ASP	-1	-0.776	-0.891	8.754	0.629	0.629	0.000	0.000	0.000	0.000
47	C	72	VAL	0	0.003	0.019	10.939	-0.023	-0.023	0.000	0.000	0.000	0.000
48	C	73	VAL	0	-0.011	-0.004	13.311	-0.016	-0.016	0.000	0.000	0.000	0.000
49	C	74	SER	0	-0.060	-0.037	14.580	0.003	0.003	0.000	0.000	0.000	0.000
50	C	75	ALA	0	0.054	0.024	15.441	-0.009	-0.009	0.000	0.000	0.000	0.000
51	C	76	ALA	0	-0.030	-0.023	17.211	-0.017	-0.017	0.000	0.000	0.000	0.000
52	C	77	ARG	1	0.736	0.824	19.279	-0.053	-0.053	0.000	0.000	0.000	0.000
53	C	78	LYS	1	0.895	0.952	19.818	-0.099	-0.099	0.000	0.000	0.000	0.000
54	C	79	GLY	0	0.001	0.019	21.451	0.003	0.003	0.000	0.000	0.000	0.000
55	C	80	ARG	1	0.842	0.934	12.472	-0.397	-0.397	0.000	0.000	0.000	0.000
56	C	81	PRO	0	-0.017	-0.001	18.875	-0.003	-0.003	0.000	0.000	0.000	0.000
57	C	82	VAL	0	0.007	0.001	14.643	0.040	0.040	0.000	0.000	0.000	0.000
58	C	83	ARG	1	0.942	0.975	15.434	-0.244	-0.244	0.000	0.000	0.000	0.000
59	C	84	VAL	0	0.033	0.024	13.321	0.056	0.056	0.000	0.000	0.000	0.000
60	C	85	LYS	1	0.916	0.962	9.564	-0.782	-0.782	0.000	0.000	0.000	0.000
61	C	86	ASP	-1	-0.876	-0.916	12.927	0.194	0.194	0.000	0.000	0.000	0.000
62	C	87	SER	0	-0.033	-0.027	12.089	0.006	0.006	0.000	0.000	0.000	0.000
63	C	88	ASP	-1	-0.830	-0.926	14.960	0.134	0.134	0.000	0.000	0.000	0.000
64	C	89	GLU	-1	-0.959	-0.981	10.186	0.178	0.178	0.000	0.000	0.000	0.000
65	C	90	ILE	0	-0.055	-0.028	9.153	-0.049	-0.049	0.000	0.000	0.000	0.000
66	C	91	ARG	1	0.931	0.959	13.155	-0.231	-0.231	0.000	0.000	0.000	0.000
67	C	92	SER	0	0.015	0.024	16.823	-0.029	-0.029	0.000	0.000	0.000	0.000
68	C	93	LYS	1	0.926	0.962	10.055	-0.066	-0.066	0.000	0.000	0.000	0.000
69	C	94	ILE	0	-0.023	-0.002	14.388	-0.021	-0.021	0.000	0.000	0.000	0.000
70	C	95	ASP	-1	-0.896	-0.948	16.948	0.063	0.063	0.000	0.000	0.000	0.000
71	C	96	LYS	1	0.944	0.960	18.765	-0.020	-0.020	0.000	0.000	0.000	0.000
72	C	97	SER	0	-0.037	-0.013	17.940	-0.009	-0.009	0.000	0.000	0.000	0.000
73	C	98	VAL	0	-0.036	-0.022	19.928	-0.005	-0.005	0.000	0.000	0.000	0.000
74	C	99	GLU	-1	-0.898	-0.959	22.717	0.007	0.007	0.000	0.000	0.000	0.000
75	C	100	PHE	0	-0.045	-0.013	22.646	-0.004	-0.004	0.000	0.000	0.000	0.000
76	C	101	LEU	0	-0.044	-0.027	23.664	-0.003	-0.003	0.000	0.000	0.000	0.000
77	C	102	ARG	1	0.883	0.958	25.447	-0.016	-0.016	0.000	0.000	0.000	0.000
78	C	103	DSN	0	-0.041	-0.008	27.787	-0.002	-0.002	0.000	0.000	0.000	0.000
79	C	125	GLU	-1	-0.878	-0.961	36.370	0.012	0.012	0.000	0.000	0.000	0.000
80	C	126	ASP	-1	-0.875	-0.929	37.530	0.000	0.000	0.000	0.000	0.000	0.000
81	C	127	ALA	0	-0.018	-0.017	31.862	-0.001	-0.001	0.000	0.000	0.000	0.000
82	C	128	ILE	0	0.029	0.021	32.626	0.000	0.000	0.000	0.000	0.000	0.000
83	C	129	SER	0	-0.007	-0.013	34.018	0.001	0.001	0.000	0.000	0.000	0.000
84	C	130	LEU	0	-0.006	0.001	31.503	-0.001	-0.001	0.000	0.000	0.000	0.000
85	C	131	GLN	0	-0.019	-0.028	28.457	-0.003	-0.003	0.000	0.000	0.000	0.000
86	C	132	LYS	1	0.955	0.977	31.181	-0.013	-0.013	0.000	0.000	0.000	0.000
87	C	133	ALA	0	0.065	0.044	33.952	0.000	0.000	0.000	0.000	0.000	0.000
88	C	134	LEU	0	-0.059	-0.026	28.192	-0.002	-0.002	0.000	0.000	0.000	0.000
89	C	135	LEU	0	-0.023	-0.021	28.142	-0.001	-0.001	0.000	0.000	0.000	0.000
90	C	136	GLU	-1	-0.965	-0.973	31.442	-0.001	-0.001	0.000	0.000	0.000	0.000
91	C	137	HIS	0	-0.019	-0.013	31.253	-0.002	-0.002	0.000	0.000	0.000	0.000
92	C	138	GLN	0	0.012	-0.004	29.043	-0.001	-0.001	0.000	0.000	0.000	0.000
93	C	139	LEU	0	-0.086	-0.006	31.011	0.001	0.001	0.000	0.000	0.000	0.000
94	C	140	CYS	0	-0.004	0.004	33.249	0.000	0.000	0.000	0.000	0.000	0.000
95	C	141	GLY	0	0.014	0.011	33.544	-0.002	-0.002	0.000	0.000	0.000	0.000
96	C	142	VAL	0	-0.045	-0.034	34.543	0.002	0.002	0.000	0.000	0.000	0.000
97	C	143	LEU	0	0.011	-0.009	33.068	0.001	0.001	0.000	0.000	0.000	0.000
98	C	144	PRO	0	-0.022	0.003	36.981	-0.001	-0.001	0.000	0.000	0.000	0.000
99	C	145	SER	0	0.003	0.000	39.905	0.001	0.001	0.000	0.000	0.000	0.000
100	C	146	SER	0	0.034	0.025	42.493	0.001	0.001	0.000	0.000	0.000	0.000
101	C	147	PHE	0	0.041	-0.001	39.092	-0.001	-0.001	0.000	0.000	0.000	0.000
102	C	148	ASP	-1	-0.877	-0.919	43.499	0.013	0.013	0.000	0.000	0.000	0.000
103	C	149	SER	0	-0.083	-0.041	43.293	-0.001	-0.001	0.000	0.000	0.000	0.000
104	C	150	PHE	0	0.009	0.004	38.083	-0.001	-0.001	0.000	0.000	0.000	0.000
105	C	151	ARG	1	0.869	0.927	42.980	-0.011	-0.011	0.000	0.000	0.000	0.000
106	C	152	LEU	0	0.038	0.015	42.769	0.001	0.001	0.000	0.000	0.000	0.000
107	C	153	GLY	0	-0.005	-0.003	40.020	-0.001	-0.001	0.000	0.000	0.000	0.000
108	C	154	ARG	1	0.884	0.945	39.507	-0.010	-0.010	0.000	0.000	0.000	0.000
109	C	155	GLY	0	0.042	0.021	39.353	0.001	0.001	0.000	0.000	0.000	0.000
110	C	156	LEU	0	0.014	0.006	33.636	-0.001	-0.001	0.000	0.000	0.000	0.000
111	C	157	GLU	-1	-0.820	-0.904	34.045	0.011	0.011	0.000	0.000	0.000	0.000
112	C	158	ASN	0	-0.057	-0.032	34.177	-0.003	-0.003	0.000	0.000	0.000	0.000
113	C	159	SER	0	-0.034	-0.014	31.418	0.000	0.000	0.000	0.000	0.000	0.000
114	C	160	LEU	0	-0.030	-0.026	24.890	-0.001	-0.001	0.000	0.000	0.000	0.000
115	C	161	PRO	0	0.019	0.017	25.721	0.003	0.003	0.000	0.000	0.000	0.000
116	C	162	LEU	0	0.099	0.034	25.614	0.001	0.001	0.000	0.000	0.000	0.000
117	C	163	GLU	-1	-0.797	-0.884	22.162	0.047	0.047	0.000	0.000	0.000	0.000
118	C	164	VAL	0	0.006	-0.001	21.106	0.006	0.006	0.000	0.000	0.000	0.000
119	C	165	VAL	0	0.031	0.026	20.768	0.001	0.001	0.000	0.000	0.000	0.000
120	C	166	ARG	1	0.843	0.919	20.364	-0.111	-0.111	0.000	0.000	0.000	0.000
121	C	167	GLY	0	0.036	0.021	17.003	0.016	0.016	0.000	0.000	0.000	0.000
122	C	168	ALA	0	-0.002	-0.003	16.295	0.004	0.004	0.000	0.000	0.000	0.000
123	C	169	MET	0	-0.038	-0.017	17.541	-0.005	-0.005	0.000	0.000	0.000	0.000
124	C	170	THR	0	0.018	0.013	13.116	0.014	0.014	0.000	0.000	0.000	0.000
125	C	171	ILE	0	0.005	-0.002	12.248	0.021	0.021	0.000	0.000	0.000	0.000
126	C	172	ARG	1	0.817	0.916	13.154	-0.007	-0.007	0.000	0.000	0.000	0.000
127	C	173	VAL	0	0.043	0.025	14.120	-0.012	-0.012	0.000	0.000	0.000	0.000
128	C	174	ASN	0	0.025	0.015	7.504	0.111	0.111	0.000	0.000	0.000	0.000
129	C	175	SER	0	-0.053	-0.031	10.694	-0.032	-0.032	0.000	0.000	0.000	0.000
130	C	176	LEU	0	-0.014	-0.011	11.876	-0.033	-0.033	0.000	0.000	0.000	0.000
131	C	177	THR	0	-0.051	-0.021	10.310	0.005	0.005	0.000	0.000	0.000	0.000
132	C	178	ARG	1	0.841	0.898	5.991	0.448	0.448	0.000	0.000	0.000	0.000
133	C	179	GLY	0	-0.018	0.001	10.850	-0.028	-0.028	0.000	0.000	0.000	0.000
134	C	180	HIS	0	0.038	0.051	10.168	0.012	0.012	0.000	0.000	0.000	0.000
135	C	181	SER	0	0.005	-0.044	15.474	-0.004	-0.004	0.000	0.000	0.000	0.000
136	C	182	ALA	0	0.020	0.022	17.935	0.004	0.004	0.000	0.000	0.000	0.000
137	C	183	VAL	0	-0.013	0.007	19.006	0.002	0.002	0.000	0.000	0.000	0.000
138	C	184	ARG	1	0.834	0.889	19.416	-0.027	-0.027	0.000	0.000	0.000	0.000
139	C	185	LEU	0	0.090	0.042	17.362	0.001	0.001	0.000	0.000	0.000	0.000
140	C	186	VAL	0	0.043	0.026	19.977	0.006	0.006	0.000	0.000	0.000	0.000
141	C	187	VAL	0	-0.028	-0.013	21.848	0.001	0.001	0.000	0.000	0.000	0.000
142	C	188	LEU	0	-0.032	-0.018	15.490	0.003	0.003	0.000	0.000	0.000	0.000
143	C	189	GLU	-1	-0.881	-0.956	19.352	0.135	0.135	0.000	0.000	0.000	0.000
144	C	190	ALA	0	0.006	0.012	21.095	0.001	0.001	0.000	0.000	0.000	0.000
145	C	191	LEU	0	-0.010	-0.005	19.470	-0.002	-0.002	0.000	0.000	0.000	0.000
146	C	192	THR	0	-0.009	-0.009	17.234	0.007	0.007	0.000	0.000	0.000	0.000
147	C	193	ASN	0	-0.025	-0.009	20.264	0.013	0.013	0.000	0.000	0.000	0.000
148	C	194	PHE	0	0.014	-0.001	23.887	-0.005	-0.005	0.000	0.000	0.000	0.000
149	C	195	LEU	0	-0.036	-0.006	17.932	-0.004	-0.004	0.000	0.000	0.000	0.000
150	C	196	ASN	0	0.002	-0.015	20.156	0.005	0.005	0.000	0.000	0.000	0.000
151	C	197	HIS	0	0.007	0.020	23.338	-0.001	-0.001	0.000	0.000	0.000	0.000
152	C	198	GLY	0	-0.051	-0.011	25.396	-0.008	-0.008	0.000	0.000	0.000	0.000
153	C	199	ILE	0	-0.019	-0.003	26.454	-0.009	-0.009	0.000	0.000	0.000	0.000
154	C	200	THR	0	-0.029	-0.027	25.092	0.006	0.006	0.000	0.000	0.000	0.000
155	C	201	PRO	0	-0.013	-0.008	25.436	-0.005	-0.005	0.000	0.000	0.000	0.000
156	C	202	ILE	0	0.007	0.007	28.154	-0.001	-0.001	0.000	0.000	0.000	0.000
157	C	203	VAL	0	-0.038	-0.002	26.502	-0.002	-0.002	0.000	0.000	0.000	0.000
158	C	204	PRO	0	0.030	0.030	29.728	0.000	0.000	0.000	0.000	0.000	0.000
159	C	205	LEU	0	-0.016	-0.009	28.968	-0.002	-0.002	0.000	0.000	0.000	0.000
160	C	206	ARG	1	0.882	0.918	29.244	0.003	0.003	0.000	0.000	0.000	0.000
161	C	207	GLY	0	0.084	0.036	30.952	0.002	0.002	0.000	0.000	0.000	0.000
162	C	208	THR	0	-0.018	0.016	24.884	-0.002	-0.002	0.000	0.000	0.000	0.000
163	C	209	ILE	0	0.010	-0.004	27.101	0.001	0.001	0.000	0.000	0.000	0.000
164	C	210	SER	0	-0.051	-0.022	22.038	-0.004	-0.004	0.000	0.000	0.000	0.000
165	C	211	ALA	0	0.076	0.031	22.452	-0.010	-0.010	0.000	0.000	0.000	0.000
166	C	212	SER	0	-0.165	-0.223	23.128	-0.003	-0.003	0.000	0.000	0.000	0.000
167	C	213	GLY	0	0.279	0.327	21.027	0.003	0.003	0.000	0.000	0.000	0.000
168	C	214	ASP	-1	-0.917	-0.994	20.315	-0.029	-0.029	0.000	0.000	0.000	0.000
169	C	215	LEU	0	0.008	-0.003	23.067	0.007	0.007	0.000	0.000	0.000	0.000
170	C	216	SER	0	0.031	0.001	25.421	0.006	0.006	0.000	0.000	0.000	0.000
171	C	217	PRO	0	-0.004	-0.020	24.440	0.004	0.004	0.000	0.000	0.000	0.000
172	C	218	LEU	0	0.013	0.008	19.915	0.008	0.008	0.000	0.000	0.000	0.000
173	C	219	SER	0	0.020	0.003	23.955	0.005	0.005	0.000	0.000	0.000	0.000
174	C	220	TYR	0	0.011	0.004	27.247	0.003	0.003	0.000	0.000	0.000	0.000
175	C	221	ILE	0	-0.016	0.001	22.311	0.004	0.004	0.000	0.000	0.000	0.000
176	C	222	ALA	0	0.019	0.010	25.146	0.006	0.006	0.000	0.000	0.000	0.000
177	C	223	ALA	0	0.014	0.007	26.346	0.003	0.003	0.000	0.000	0.000	0.000
178	C	224	ALA	0	-0.054	-0.013	28.068	0.001	0.001	0.000	0.000	0.000	0.000
179	C	225	ILE	0	0.035	0.015	23.844	0.001	0.001	0.000	0.000	0.000	0.000
180	C	226	SER	0	-0.031	-0.019	27.912	0.001	0.001	0.000	0.000	0.000	0.000
181	C	227	GLY	0	-0.045	-0.016	30.413	-0.002	-0.002	0.000	0.000	0.000	0.000
182	C	228	HIS	0	0.026	0.014	33.020	-0.001	-0.001	0.000	0.000	0.000	0.000
183	C	229	PRO	0	0.008	-0.021	34.931	0.002	0.002	0.000	0.000	0.000	0.000
184	C	230	ASP	-1	-0.850	-0.916	37.316	0.014	0.014	0.000	0.000	0.000	0.000
185	C	231	SER	0	-0.032	-0.001	31.558	0.000	0.000	0.000	0.000	0.000	0.000
186	C	232	LYS	1	0.879	0.937	33.775	-0.015	-0.015	0.000	0.000	0.000	0.000
187	C	233	VAL	0	-0.013	-0.012	30.370	0.000	0.000	0.000	0.000	0.000	0.000
188	C	234	HIS	0	-0.049	-0.059	30.243	0.000	0.000	0.000	0.000	0.000	0.000
189	C	235	VAL	0	0.060	0.033	30.197	0.005	0.005	0.000	0.000	0.000	0.000
190	C	236	VAL	0	0.006	0.002	31.548	-0.004	-0.004	0.000	0.000	0.000	0.000
191	C	237	HIS	0	0.077	0.042	33.371	0.002	0.002	0.000	0.000	0.000	0.000
192	C	238	GLU	-1	-0.922	-0.975	36.116	0.038	0.038	0.000	0.000	0.000	0.000
193	C	239	GLY	0	-0.010	-0.009	36.843	-0.003	-0.003	0.000	0.000	0.000	0.000
194	C	240	LYS	1	0.909	0.961	37.757	-0.038	-0.038	0.000	0.000	0.000	0.000
195	C	241	GLU	-1	-0.850	-0.889	33.468	0.041	0.041	0.000	0.000	0.000	0.000
196	C	242	LYS	1	0.822	0.917	35.222	-0.042	-0.042	0.000	0.000	0.000	0.000
197	C	243	ILE	0	-0.012	-0.010	34.686	0.002	0.002	0.000	0.000	0.000	0.000
198	C	244	LEU	0	-0.018	0.004	35.457	-0.002	-0.002	0.000	0.000	0.000	0.000
199	C	245	TYR	0	0.039	0.017	35.548	-0.001	-0.001	0.000	0.000	0.000	0.000
200	C	246	ALA	0	-0.007	-0.006	32.231	0.003	0.003	0.000	0.000	0.000	0.000
201	C	247	ARG	1	0.927	0.949	33.612	-0.027	-0.027	0.000	0.000	0.000	0.000
202	C	248	GLU	-1	-0.866	-0.928	35.732	0.031	0.031	0.000	0.000	0.000	0.000
203	C	249	ALA	0	0.003	0.001	32.576	0.002	0.002	0.000	0.000	0.000	0.000
204	C	250	MET	0	-0.050	-0.023	30.564	0.004	0.004	0.000	0.000	0.000	0.000
205	C	251	ALA	0	0.021	0.017	32.950	0.003	0.003	0.000	0.000	0.000	0.000
206	C	252	LEU	0	-0.060	-0.025	34.720	0.001	0.001	0.000	0.000	0.000	0.000
207	C	253	PHE	0	-0.034	-0.012	30.876	0.002	0.002	0.000	0.000	0.000	0.000
208	C	254	ASN	0	-0.050	-0.020	31.875	0.004	0.004	0.000	0.000	0.000	0.000
209	C	255	LEU	0	-0.034	-0.010	27.889	0.004	0.004	0.000	0.000	0.000	0.000
210	C	256	GLU	-1	-0.899	-0.958	30.253	0.042	0.042	0.000	0.000	0.000	0.000
211	C	257	PRO	0	-0.055	-0.026	29.788	0.002	0.002	0.000	0.000	0.000	0.000
212	C	258	VAL	0	-0.003	0.005	25.816	0.000	0.000	0.000	0.000	0.000	0.000
213	C	259	VAL	0	-0.006	-0.014	29.201	-0.004	-0.004	0.000	0.000	0.000	0.000
214	C	260	LEU	0	-0.015	-0.006	26.125	0.001	0.001	0.000	0.000	0.000	0.000
215	C	261	GLY	0	0.027	0.003	27.659	-0.002	-0.002	0.000	0.000	0.000	0.000
216	C	262	PRO	0	0.029	-0.012	27.930	-0.002	-0.002	0.000	0.000	0.000	0.000
217	C	263	LYS	1	0.793	0.896	19.861	0.039	0.039	0.000	0.000	0.000	0.000
218	C	264	GLU	-1	-0.705	-0.835	23.568	0.026	0.026	0.000	0.000	0.000	0.000
219	C	265	GLY	0	0.032	0.028	24.046	0.002	0.002	0.000	0.000	0.000	0.000
220	C	266	LEU	0	0.008	-0.008	23.618	0.000	0.000	0.000	0.000	0.000	0.000
221	C	267	GLY	0	0.003	0.010	20.307	-0.005	-0.005	0.000	0.000	0.000	0.000
222	C	268	LEU	0	-0.023	-0.019	19.534	0.001	0.001	0.000	0.000	0.000	0.000
223	C	269	VAL	0	-0.008	-0.009	21.460	0.001	0.001	0.000	0.000	0.000	0.000
224	C	270	ASN	0	-0.018	0.002	20.842	-0.001	-0.001	0.000	0.000	0.000	0.000
225	C	271	GLY	0	0.027	0.004	17.919	-0.001	-0.001	0.000	0.000	0.000	0.000
226	C	272	THR	0	-0.093	-0.065	14.855	0.014	0.014	0.000	0.000	0.000	0.000
227	C	273	ALA	0	0.044	0.028	15.841	0.000	0.000	0.000	0.000	0.000	0.000
228	C	274	VAL	0	0.028	0.014	16.822	0.011	0.011	0.000	0.000	0.000	0.000
229	C	275	SER	0	-0.069	-0.052	19.425	0.000	0.000	0.000	0.000	0.000	0.000
230	C	276	ALA	0	0.052	0.026	14.196	-0.001	-0.001	0.000	0.000	0.000	0.000
231	C	277	SER	0	-0.052	-0.014	15.999	0.006	0.006	0.000	0.000	0.000	0.000
232	C	278	MET	0	-0.011	-0.012	17.308	0.003	0.003	0.000	0.000	0.000	0.000
233	C	279	ALA	0	0.026	-0.006	17.050	0.000	0.000	0.000	0.000	0.000	0.000
234	C	280	THR	0	-0.005	-0.002	13.559	-0.010	-0.010	0.000	0.000	0.000	0.000
235	C	281	LEU	0	-0.026	-0.013	16.063	0.003	0.003	0.000	0.000	0.000	0.000
236	C	282	ALA	0	0.018	0.010	18.980	-0.001	-0.001	0.000	0.000	0.000	0.000
237	C	283	LEU	0	0.009	0.010	14.458	-0.002	-0.002	0.000	0.000	0.000	0.000
238	C	284	HIS	0	-0.038	-0.032	16.829	0.008	0.008	0.000	0.000	0.000	0.000
239	C	285	ASP	-1	-0.777	-0.875	18.257	0.023	0.023	0.000	0.000	0.000	0.000
240	C	286	ALA	0	0.019	0.012	20.843	-0.001	-0.001	0.000	0.000	0.000	0.000
241	C	287	HIS	1	0.783	0.883	15.089	0.064	0.064	0.000	0.000	0.000	0.000
242	C	288	MET	0	-0.022	0.006	18.993	-0.001	-0.001	0.000	0.000	0.000	0.000
243	C	289	LEU	0	0.015	0.005	23.229	0.000	0.000	0.000	0.000	0.000	0.000
244	C	290	SER	0	0.022	0.035	22.936	-0.002	-0.002	0.000	0.000	0.000	0.000
245	C	291	LEU	0	0.004	-0.006	21.630	-0.001	-0.001	0.000	0.000	0.000	0.000
246	C	292	LEU	0	0.026	0.015	25.489	0.002	0.002	0.000	0.000	0.000	0.000
247	C	293	SER	0	-0.024	-0.035	28.364	0.000	0.000	0.000	0.000	0.000	0.000
248	C	294	GLN	0	0.060	0.037	24.490	0.000	0.000	0.000	0.000	0.000	0.000
249	C	295	SER	0	0.020	-0.005	29.097	0.002	0.002	0.000	0.000	0.000	0.000
250	C	296	LEU	0	-0.047	-0.012	31.464	0.001	0.001	0.000	0.000	0.000	0.000
251	C	297	THR	0	0.008	0.023	32.547	0.000	0.000	0.000	0.000	0.000	0.000
252	C	298	ALA	0	-0.002	0.004	33.571	0.000	0.000	0.000	0.000	0.000	0.000
253	C	299	MET	0	0.028	0.007	35.351	0.001	0.001	0.000	0.000	0.000	0.000
254	C	300	THR	0	0.004	-0.008	37.479	0.001	0.001	0.000	0.000	0.000	0.000
255	C	301	VAL	0	-0.018	-0.002	37.546	0.000	0.000	0.000	0.000	0.000	0.000
256	C	302	GLU	-1	-0.760	-0.839	38.909	0.000	0.000	0.000	0.000	0.000	0.000
257	C	303	ALA	0	0.034	0.018	41.673	0.000	0.000	0.000	0.000	0.000	0.000
258	C	304	MET	0	-0.042	-0.017	43.031	0.001	0.001	0.000	0.000	0.000	0.000
259	C	305	VAL	0	-0.025	0.006	44.786	-0.001	-0.001	0.000	0.000	0.000	0.000
260	C	306	GLY	0	0.007	0.011	42.924	-0.001	-0.001	0.000	0.000	0.000	0.000
261	C	307	HIS	0	-0.052	-0.042	42.301	0.001	0.001	0.000	0.000	0.000	0.000
262	C	308	ALA	0	0.042	0.008	38.686	-0.002	-0.002	0.000	0.000	0.000	0.000
263	C	309	GLY	0	0.019	0.007	37.940	-0.002	-0.002	0.000	0.000	0.000	0.000
264	C	310	SER	0	-0.016	-0.004	37.355	-0.002	-0.002	0.000	0.000	0.000	0.000
265	C	311	PHE	0	-0.019	0.000	33.183	-0.003	-0.003	0.000	0.000	0.000	0.000
266	C	312	HIS	0	0.061	0.053	33.748	-0.003	-0.003	0.000	0.000	0.000	0.000
267	C	313	PRO	0	0.067	0.017	32.000	-0.002	-0.002	0.000	0.000	0.000	0.000
268	C	314	PHE	0	0.028	0.004	33.262	-0.004	-0.004	0.000	0.000	0.000	0.000
269	C	315	LEU	0	-0.032	-0.009	35.577	-0.002	-0.002	0.000	0.000	0.000	0.000
270	C	316	HIS	0	-0.044	-0.024	30.085	-0.005	-0.005	0.000	0.000	0.000	0.000
271	C	317	ASP	-1	-0.867	-0.944	29.116	-0.052	-0.052	0.000	0.000	0.000	0.000
272	C	318	VAL	0	-0.067	-0.020	30.323	-0.003	-0.003	0.000	0.000	0.000	0.000
273	C	319	THR	0	-0.025	-0.021	33.356	-0.002	-0.002	0.000	0.000	0.000	0.000
274	C	320	ARG	1	0.843	0.919	30.840	0.053	0.053	0.000	0.000	0.000	0.000
275	C	321	PRO	0	0.069	0.055	27.712	-0.001	-0.001	0.000	0.000	0.000	0.000
276	C	322	HIS	0	-0.023	-0.015	25.599	-0.012	-0.012	0.000	0.000	0.000	0.000
277	C	323	PRO	0	0.021	0.002	21.216	0.007	0.007	0.000	0.000	0.000	0.000
278	C	324	THR	0	0.038	-0.012	20.632	0.004	0.004	0.000	0.000	0.000	0.000
279	C	325	GLN	0	-0.001	-0.014	23.180	0.006	0.006	0.000	0.000	0.000	0.000
280	C	326	ILE	0	-0.017	0.000	25.278	0.007	0.007	0.000	0.000	0.000	0.000
281	C	327	GLU	-1	-0.825	-0.899	20.645	-0.073	-0.073	0.000	0.000	0.000	0.000
282	C	328	VAL	0	-0.014	0.002	24.566	0.008	0.008	0.000	0.000	0.000	0.000
283	C	329	ALA	0	-0.007	-0.006	26.834	0.007	0.007	0.000	0.000	0.000	0.000
284	C	330	GLY	0	-0.003	-0.004	27.890	0.005	0.005	0.000	0.000	0.000	0.000
285	C	331	ASN	0	-0.027	-0.021	23.813	0.008	0.008	0.000	0.000	0.000	0.000
286	C	332	ILE	0	-0.002	-0.013	28.012	0.006	0.006	0.000	0.000	0.000	0.000
287	C	333	ARG	1	0.917	0.951	29.738	0.034	0.034	0.000	0.000	0.000	0.000
288	C	334	LYS	1	0.927	0.968	26.978	0.009	0.009	0.000	0.000	0.000	0.000
289	C	335	LEU	0	-0.015	0.000	30.089	0.004	0.004	0.000	0.000	0.000	0.000
290	C	336	LEU	0	0.004	0.029	33.061	0.003	0.003	0.000	0.000	0.000	0.000
291	C	337	GLU	-1	-0.955	-0.957	34.193	-0.003	-0.003	0.000	0.000	0.000	0.000
292	C	338	GLY	0	-0.012	-0.023	37.046	0.002	0.002	0.000	0.000	0.000	0.000
293	C	339	SER	0	-0.024	-0.034	39.713	0.001	0.001	0.000	0.000	0.000	0.000
294	C	340	ARG	1	0.905	0.952	41.317	-0.002	-0.002	0.000	0.000	0.000	0.000
295	C	341	PHE	0	-0.008	0.006	42.865	0.000	0.000	0.000	0.000	0.000	0.000
296	C	342	ALA	0	-0.010	-0.009	40.870	-0.001	-0.001	0.000	0.000	0.000	0.000
297	C	343	VAL	0	0.013	0.016	42.871	0.001	0.001	0.000	0.000	0.000	0.000
298	C	344	HIS	0	-0.063	-0.050	39.748	-0.003	-0.003	0.000	0.000	0.000	0.000
299	C	345	HIS	0	-0.038	-0.011	43.424	-0.002	-0.002	0.000	0.000	0.000	0.000
300	C	346	GLU	-1	-0.913	-0.956	44.787	-0.017	-0.017	0.000	0.000	0.000	0.000
301	C	347	GLU	-1	-0.894	-0.940	47.241	-0.009	-0.009	0.000	0.000	0.000	0.000
302	C	348	GLU	-1	-0.897	-0.951	50.746	-0.009	-0.009	0.000	0.000	0.000	0.000
303	C	349	VAL	0	-0.031	-0.014	54.224	0.000	0.000	0.000	0.000	0.000	0.000
304	C	350	LYS	1	0.848	0.921	47.980	0.015	0.015	0.000	0.000	0.000	0.000
305	C	351	VAL	0	0.055	0.012	53.149	-0.001	-0.001	0.000	0.000	0.000	0.000
306	C	352	LYS	1	0.708	0.846	51.918	0.014	0.014	0.000	0.000	0.000	0.000
307	C	353	ASP	-1	-0.819	-0.908	54.988	-0.013	-0.013	0.000	0.000	0.000	0.000
308	C	354	ASP	-1	-0.919	-0.956	58.607	-0.010	-0.010	0.000	0.000	0.000	0.000
309	C	355	GLU	-1	-0.912	-0.961	59.762	-0.008	-0.008	0.000	0.000	0.000	0.000
310	C	356	GLY	0	-0.053	-0.017	56.736	0.000	0.000	0.000	0.000	0.000	0.000
311	C	357	ILE	0	0.036	0.020	53.698	0.000	0.000	0.000	0.000	0.000	0.000
312	C	358	LEU	0	-0.121	-0.058	47.638	-0.001	-0.001	0.000	0.000	0.000	0.000
313	C	359	ARG	1	0.982	0.990	49.377	0.016	0.016	0.000	0.000	0.000	0.000
314	C	360	GLN	0	-0.026	0.010	43.692	0.000	0.000	0.000	0.000	0.000	0.000
315	C	361	ASP	-1	-0.772	-0.883	42.026	-0.014	-0.014	0.000	0.000	0.000	0.000
316	C	362	ARG	1	0.899	0.931	43.325	0.011	0.011	0.000	0.000	0.000	0.000
317	C	363	TYR	0	0.006	-0.018	39.009	0.000	0.000	0.000	0.000	0.000	0.000
318	C	364	PRO	0	0.050	0.048	37.517	-0.002	-0.002	0.000	0.000	0.000	0.000
319	C	365	LEU	0	0.056	0.041	36.548	-0.001	-0.001	0.000	0.000	0.000	0.000
320	C	366	ARG	1	0.910	0.956	36.615	0.021	0.021	0.000	0.000	0.000	0.000
321	C	367	THR	0	-0.096	-0.057	35.727	-0.002	-0.002	0.000	0.000	0.000	0.000
322	C	368	SER	0	0.063	0.027	32.755	-0.003	-0.003	0.000	0.000	0.000	0.000
323	C	369	PRO	0	0.017	0.000	29.839	-0.003	-0.003	0.000	0.000	0.000	0.000
324	C	370	GLN	0	0.003	-0.011	29.058	-0.004	-0.004	0.000	0.000	0.000	0.000
325	C	371	TRP	0	-0.077	-0.031	30.435	-0.004	-0.004	0.000	0.000	0.000	0.000
326	C	372	LEU	0	0.029	0.013	27.156	-0.003	-0.003	0.000	0.000	0.000	0.000
327	C	373	GLY	0	0.041	0.024	25.323	-0.005	-0.005	0.000	0.000	0.000	0.000
328	C	374	PRO	0	-0.033	-0.004	23.913	-0.009	-0.009	0.000	0.000	0.000	0.000
329	C	375	LEU	0	0.045	0.031	23.291	-0.007	-0.007	0.000	0.000	0.000	0.000
330	C	376	VAL	0	0.015	0.007	20.734	-0.004	-0.004	0.000	0.000	0.000	0.000
331	C	377	SER	0	0.013	0.005	19.357	-0.012	-0.012	0.000	0.000	0.000	0.000
332	C	378	ASP	-1	-0.939	-0.965	18.161	-0.117	-0.117	0.000	0.000	0.000	0.000
333	C	379	LEU	0	-0.041	-0.020	17.924	-0.010	-0.010	0.000	0.000	0.000	0.000
334	C	380	ILE	0	-0.017	-0.011	14.251	-0.008	-0.008	0.000	0.000	0.000	0.000
335	C	381	HIS	0	-0.009	0.003	13.558	-0.027	-0.027	0.000	0.000	0.000	0.000
336	C	382	ALA	0	0.019	-0.007	13.302	-0.025	-0.025	0.000	0.000	0.000	0.000
337	C	383	HIS	0	0.069	0.029	10.190	0.013	0.013	0.000	0.000	0.000	0.000
338	C	384	ALA	0	0.047	0.041	9.052	-0.020	-0.020	0.000	0.000	0.000	0.000
339	C	385	VAL	0	-0.106	-0.045	8.737	-0.053	-0.053	0.000	0.000	0.000	0.000
340	C	386	LEU	0	0.015	-0.011	10.318	-0.009	-0.009	0.000	0.000	0.000	0.000
341	C	387	THR	0	0.002	-0.002	5.216	0.069	0.069	0.000	0.000	0.000	0.000
342	C	388	ILE	0	-0.006	0.002	5.498	0.012	0.012	0.000	0.000	0.000	0.000
343	C	389	GLU	-1	-0.862	-0.892	6.950	-0.131	-0.131	0.000	0.000	0.000	0.000
344	C	390	ALA	0	-0.049	-0.040	9.949	0.027	0.027	0.000	0.000	0.000	0.000
345	C	391	GLY	0	0.025	0.005	6.447	0.076	0.076	0.000	0.000	0.000	0.000
346	C	392	GLN	0	-0.056	-0.019	2.653	-1.494	-0.381	1.400	-0.917	-1.595	-0.009
347	C	393	SER	0	-0.009	-0.013	5.469	-0.073	-0.073	0.000	0.000	0.000	0.000
348	C	394	THR	0	-0.035	-0.017	9.016	0.045	0.045	0.000	0.000	0.000	0.000
349	C	395	THR	0	0.003	-0.004	12.088	0.000	0.000	0.000	0.000	0.000	0.000
350	C	396	ASP	-1	-0.739	-0.829	15.055	-0.044	-0.044	0.000	0.000	0.000	0.000
351	C	397	ASN	0	0.023	0.007	17.883	-0.022	-0.022	0.000	0.000	0.000	0.000
352	C	398	PRO	0	0.035	0.003	20.403	0.009	0.009	0.000	0.000	0.000	0.000
353	C	399	LEU	0	-0.054	-0.012	15.066	0.004	0.004	0.000	0.000	0.000	0.000
354	C	400	ILE	0	-0.025	-0.019	18.195	0.001	0.001	0.000	0.000	0.000	0.000
355	C	401	ASP	-1	-0.842	-0.922	17.508	-0.133	-0.133	0.000	0.000	0.000	0.000
356	C	402	VAL	0	0.044	0.007	18.065	0.009	0.009	0.000	0.000	0.000	0.000
357	C	403	GLU	-1	-0.919	-0.944	16.636	-0.050	-0.050	0.000	0.000	0.000	0.000
358	C	404	ASN	0	-0.143	-0.088	19.192	0.016	0.016	0.000	0.000	0.000	0.000
359	C	405	LYS	1	0.866	0.938	22.096	0.050	0.050	0.000	0.000	0.000	0.000
360	C	406	THR	0	0.024	0.014	21.734	0.005	0.005	0.000	0.000	0.000	0.000
361	C	407	SER	0	-0.024	-0.009	21.679	0.001	0.001	0.000	0.000	0.000	0.000
362	C	408	HIS	0	-0.001	0.007	19.623	0.000	0.000	0.000	0.000	0.000	0.000
363	C	409	HIS	0	-0.010	-0.012	21.419	0.001	0.001	0.000	0.000	0.000	0.000
364	C	410	GLY	0	0.028	0.007	20.076	-0.004	-0.004	0.000	0.000	0.000	0.000
365	C	411	GLY	0	0.024	-0.001	19.546	0.010	0.010	0.000	0.000	0.000	0.000
366	C	412	ASN	0	-0.006	-0.001	14.543	-0.001	-0.001	0.000	0.000	0.000	0.000
367	C	413	PHE	0	0.026	0.059	16.271	-0.002	-0.002	0.000	0.000	0.000	0.000
368	C	414	GLN	0	-0.009	-0.007	18.883	0.014	0.014	0.000	0.000	0.000	0.000
369	C	415	ALA	0	0.061	0.035	17.796	-0.013	-0.013	0.000	0.000	0.000	0.000
370	C	416	ALA	0	0.011	-0.020	18.861	0.003	0.003	0.000	0.000	0.000	0.000
371	C	417	ALA	0	0.006	0.014	14.323	0.002	0.002	0.000	0.000	0.000	0.000
372	C	418	VAL	0	0.064	0.025	15.294	-0.001	-0.001	0.000	0.000	0.000	0.000
373	C	419	ALA	0	0.046	0.024	17.132	0.007	0.007	0.000	0.000	0.000	0.000
374	C	420	ASN	0	-0.054	-0.011	18.215	-0.003	-0.003	0.000	0.000	0.000	0.000
375	C	421	THR	0	-0.008	-0.013	14.982	0.008	0.008	0.000	0.000	0.000	0.000
376	C	422	MET	0	-0.023	0.021	18.345	0.013	0.013	0.000	0.000	0.000	0.000
377	C	423	GLU	-1	-0.673	-0.794	21.312	-0.046	-0.046	0.000	0.000	0.000	0.000
378	C	424	LYS	1	0.930	0.979	18.064	0.135	0.135	0.000	0.000	0.000	0.000
379	C	425	THR	0	-0.013	-0.026	19.976	0.003	0.003	0.000	0.000	0.000	0.000
380	C	426	ARG	1	0.754	0.856	22.513	0.047	0.047	0.000	0.000	0.000	0.000
381	C	427	LEU	0	0.033	0.024	25.912	0.004	0.004	0.000	0.000	0.000	0.000
382	C	428	GLY	0	0.013	0.000	25.072	0.003	0.003	0.000	0.000	0.000	0.000
383	C	429	LEU	0	0.002	-0.006	24.805	0.004	0.004	0.000	0.000	0.000	0.000
384	C	430	ALA	0	0.056	0.036	27.537	0.004	0.004	0.000	0.000	0.000	0.000
385	C	431	GLN	0	-0.049	-0.022	28.842	0.004	0.004	0.000	0.000	0.000	0.000
386	C	432	ILE	0	0.014	0.009	25.522	0.002	0.002	0.000	0.000	0.000	0.000
387	C	433	GLY	0	0.046	0.015	30.087	0.003	0.003	0.000	0.000	0.000	0.000
388	C	434	LYS	1	0.954	0.978	32.901	0.024	0.024	0.000	0.000	0.000	0.000
389	C	435	LEU	0	-0.028	0.008	32.025	0.002	0.002	0.000	0.000	0.000	0.000
390	C	436	ASN	0	0.048	0.036	32.204	0.000	0.000	0.000	0.000	0.000	0.000
391	C	437	PHE	0	0.042	0.031	35.414	0.002	0.002	0.000	0.000	0.000	0.000
392	C	438	THR	0	-0.100	-0.067	37.798	0.001	0.001	0.000	0.000	0.000	0.000
393	C	439	GLN	0	0.000	-0.028	34.511	0.003	0.003	0.000	0.000	0.000	0.000
394	C	440	LEU	0	0.006	0.005	39.331	0.001	0.001	0.000	0.000	0.000	0.000
395	C	441	THR	0	-0.035	-0.048	41.015	0.001	0.001	0.000	0.000	0.000	0.000
396	C	442	GLU	-1	-0.864	-0.929	43.145	-0.014	-0.014	0.000	0.000	0.000	0.000
397	C	443	MET	0	-0.014	-0.011	41.432	0.001	0.001	0.000	0.000	0.000	0.000
398	C	444	LEU	0	-0.059	-0.029	44.261	0.001	0.001	0.000	0.000	0.000	0.000
399	C	445	ASN	0	0.014	0.019	47.181	0.001	0.001	0.000	0.000	0.000	0.000
400	C	446	ALA	0	0.000	-0.007	49.601	0.000	0.000	0.000	0.000	0.000	0.000
401	C	447	GLY	0	0.045	0.037	52.642	0.000	0.000	0.000	0.000	0.000	0.000
402	C	448	MET	0	-0.112	-0.057	46.306	-0.001	-0.001	0.000	0.000	0.000	0.000
403	C	449	ASN	0	-0.004	-0.004	47.979	-0.001	-0.001	0.000	0.000	0.000	0.000
404	C	450	ARG	1	0.957	0.977	46.557	0.011	0.011	0.000	0.000	0.000	0.000
405	C	451	GLY	0	0.078	0.054	50.964	0.001	0.001	0.000	0.000	0.000	0.000
406	C	452	LEU	0	-0.053	-0.011	46.758	0.001	0.001	0.000	0.000	0.000	0.000
407	C	453	PRO	0	0.020	0.024	51.370	-0.001	-0.001	0.000	0.000	0.000	0.000
408	C	454	SER	0	0.062	0.036	51.869	0.000	0.000	0.000	0.000	0.000	0.000
409	C	455	CYS	0	-0.045	-0.013	50.393	0.001	0.001	0.000	0.000	0.000	0.000
410	C	456	LEU	0	0.052	0.018	45.623	0.001	0.001	0.000	0.000	0.000	0.000
411	C	457	ALA	0	-0.031	-0.017	50.164	0.001	0.001	0.000	0.000	0.000	0.000
412	C	458	ALA	0	0.023	0.003	52.505	0.000	0.000	0.000	0.000	0.000	0.000
413	C	459	GLU	-1	-0.848	-0.920	54.033	0.004	0.004	0.000	0.000	0.000	0.000
414	C	460	ASP	-1	-0.849	-0.924	57.615	0.001	0.001	0.000	0.000	0.000	0.000
415	C	461	PRO	0	-0.005	-0.011	57.083	0.000	0.000	0.000	0.000	0.000	0.000
416	C	462	SER	0	-0.058	-0.035	58.480	0.000	0.000	0.000	0.000	0.000	0.000
417	C	463	LEU	0	-0.015	-0.002	60.449	0.000	0.000	0.000	0.000	0.000	0.000
418	C	464	SER	0	-0.016	-0.005	55.015	0.001	0.001	0.000	0.000	0.000	0.000
419	C	465	TYR	0	0.002	-0.020	54.092	-0.001	-0.001	0.000	0.000	0.000	0.000
420	C	466	HIS	0	-0.040	0.007	47.733	0.000	0.000	0.000	0.000	0.000	0.000
421	C	467	CYS	0	0.014	0.012	46.309	0.001	0.001	0.000	0.000	0.000	0.000
422	C	468	LYS	1	1.004	1.008	47.193	0.003	0.003	0.000	0.000	0.000	0.000
423	C	469	GLY	0	0.006	-0.009	48.244	-0.001	-0.001	0.000	0.000	0.000	0.000
424	C	470	LEU	0	0.012	0.000	42.374	0.000	0.000	0.000	0.000	0.000	0.000
425	C	471	ASP	-1	-0.822	-0.895	43.259	-0.008	-0.008	0.000	0.000	0.000	0.000
426	C	472	ILE	0	-0.017	-0.005	44.167	-0.001	-0.001	0.000	0.000	0.000	0.000
427	C	473	ALA	0	-0.018	-0.007	42.135	-0.001	-0.001	0.000	0.000	0.000	0.000
428	C	474	ALA	0	0.033	0.016	39.692	-0.001	-0.001	0.000	0.000	0.000	0.000
429	C	475	ALA	0	0.014	0.006	39.557	-0.002	-0.002	0.000	0.000	0.000	0.000
430	C	476	ALA	0	-0.024	-0.008	40.759	-0.002	-0.002	0.000	0.000	0.000	0.000
431	C	477	TYR	0	0.021	0.008	36.339	-0.001	-0.001	0.000	0.000	0.000	0.000
432	C	478	THR	0	0.010	-0.010	36.147	-0.002	-0.002	0.000	0.000	0.000	0.000
433	C	479	SER	0	-0.071	-0.039	36.670	-0.002	-0.002	0.000	0.000	0.000	0.000
434	C	480	GLU	-1	-0.952	-0.961	35.522	-0.010	-0.010	0.000	0.000	0.000	0.000
435	C	481	LEU	0	-0.023	-0.024	30.831	-0.002	-0.002	0.000	0.000	0.000	0.000
436	C	482	GLY	0	-0.005	0.001	32.806	-0.003	-0.003	0.000	0.000	0.000	0.000
437	C	483	HIS	0	-0.016	-0.007	34.393	-0.003	-0.003	0.000	0.000	0.000	0.000
438	C	484	LEU	0	-0.017	-0.016	31.005	-0.002	-0.002	0.000	0.000	0.000	0.000
439	C	485	ALA	0	-0.006	0.012	29.754	-0.002	-0.002	0.000	0.000	0.000	0.000
440	C	486	ASN	0	-0.040	0.003	30.085	-0.006	-0.006	0.000	0.000	0.000	0.000
441	C	487	PRO	0	0.004	0.014	28.666	0.000	0.000	0.000	0.000	0.000	0.000
442	C	488	VAL	0	-0.021	-0.026	27.479	0.004	0.004	0.000	0.000	0.000	0.000
443	C	489	THR	0	-0.058	-0.066	24.391	0.001	0.001	0.000	0.000	0.000	0.000
444	C	490	THR	0	-0.004	0.001	27.814	-0.002	-0.002	0.000	0.000	0.000	0.000
445	C	491	HIS	0	-0.065	-0.021	30.921	0.003	0.003	0.000	0.000	0.000	0.000
446	C	492	VAL	0	-0.013	0.002	28.609	0.003	0.003	0.000	0.000	0.000	0.000
447	C	493	GLN	0	-0.007	0.003	31.379	0.002	0.002	0.000	0.000	0.000	0.000
448	C	494	PRO	0	0.014	0.006	32.491	-0.002	-0.002	0.000	0.000	0.000	0.000
449	C	495	ALA	0	0.010	-0.001	31.176	0.003	0.003	0.000	0.000	0.000	0.000
450	C	496	GLU	-1	-0.841	-0.934	30.956	-0.035	-0.035	0.000	0.000	0.000	0.000
451	C	497	MET	0	0.042	0.017	34.040	-0.001	-0.001	0.000	0.000	0.000	0.000
452	C	498	ALA	0	-0.010	0.009	34.160	-0.001	-0.001	0.000	0.000	0.000	0.000
453	C	499	ASN	0	-0.039	-0.019	29.103	-0.006	-0.006	0.000	0.000	0.000	0.000
454	C	500	GLN	0	-0.081	-0.042	27.691	-0.006	-0.006	0.000	0.000	0.000	0.000
455	C	501	ALA	0	-0.009	-0.004	29.671	0.001	0.001	0.000	0.000	0.000	0.000
456	C	502	VAL	0	-0.007	0.005	26.411	-0.001	-0.001	0.000	0.000	0.000	0.000
457	C	503	ASN	0	-0.029	-0.031	25.581	0.000	0.000	0.000	0.000	0.000	0.000
458	C	504	SER	0	0.019	0.003	21.983	0.002	0.002	0.000	0.000	0.000	0.000
459	C	505	LEU	0	0.024	0.013	24.014	0.000	0.000	0.000	0.000	0.000	0.000
460	C	506	ALA	0	0.004	0.007	20.420	0.004	0.004	0.000	0.000	0.000	0.000
461	C	507	LEU	0	0.043	0.010	22.525	0.004	0.004	0.000	0.000	0.000	0.000
462	C	508	ILE	0	-0.046	-0.020	23.898	0.005	0.005	0.000	0.000	0.000	0.000
463	C	509	SER	0	0.003	-0.022	23.632	0.003	0.003	0.000	0.000	0.000	0.000
464	C	510	ALA	0	0.074	0.022	21.621	0.001	0.001	0.000	0.000	0.000	0.000
465	C	511	ARG	1	0.925	0.975	23.376	0.017	0.017	0.000	0.000	0.000	0.000
466	C	512	ARG	1	0.916	0.967	26.715	0.021	0.021	0.000	0.000	0.000	0.000
467	C	513	THR	0	0.027	0.008	22.665	0.002	0.002	0.000	0.000	0.000	0.000
468	C	514	THR	0	0.005	-0.006	24.412	0.004	0.004	0.000	0.000	0.000	0.000
469	C	515	GLU	-1	-0.937	-0.961	26.059	-0.006	-0.006	0.000	0.000	0.000	0.000
470	C	516	SER	0	0.013	-0.006	27.725	0.000	0.000	0.000	0.000	0.000	0.000
471	C	517	ASN	0	0.020	-0.001	22.984	-0.003	-0.003	0.000	0.000	0.000	0.000
472	C	518	ASP	-1	-0.804	-0.842	27.506	0.009	0.009	0.000	0.000	0.000	0.000
473	C	519	VAL	0	0.065	0.025	30.499	0.001	0.001	0.000	0.000	0.000	0.000
474	C	520	LEU	0	-0.013	-0.007	27.883	0.001	0.001	0.000	0.000	0.000	0.000
475	C	521	SER	0	-0.019	-0.031	29.194	0.002	0.002	0.000	0.000	0.000	0.000
476	C	522	LEU	0	-0.012	0.007	31.458	0.002	0.002	0.000	0.000	0.000	0.000
477	C	523	LEU	0	-0.035	0.007	34.105	0.001	0.001	0.000	0.000	0.000	0.000
478	C	524	LEU	0	-0.006	-0.019	29.845	0.001	0.001	0.000	0.000	0.000	0.000
479	C	525	ALA	0	0.021	0.013	33.936	0.001	0.001	0.000	0.000	0.000	0.000
480	C	526	THR	0	-0.027	-0.017	35.524	0.001	0.001	0.000	0.000	0.000	0.000
481	C	527	HIS	0	-0.016	-0.019	36.145	0.000	0.000	0.000	0.000	0.000	0.000
482	C	528	LEU	0	0.026	0.010	33.790	0.000	0.000	0.000	0.000	0.000	0.000
483	C	529	TYR	0	-0.026	-0.062	37.274	0.001	0.001	0.000	0.000	0.000	0.000
484	C	530	CYS	0	-0.047	-0.017	40.435	0.000	0.000	0.000	0.000	0.000	0.000
485	C	531	VAL	0	0.018	0.004	37.976	0.000	0.000	0.000	0.000	0.000	0.000
486	C	532	LEU	0	0.009	0.017	38.338	0.000	0.000	0.000	0.000	0.000	0.000
487	C	533	GLN	0	-0.004	-0.003	41.948	0.001	0.001	0.000	0.000	0.000	0.000
488	C	534	ALA	0	-0.006	-0.008	44.167	0.000	0.000	0.000	0.000	0.000	0.000
489	C	535	ILE	0	0.013	0.005	40.364	0.000	0.000	0.000	0.000	0.000	0.000
490	C	536	ASP	-1	-0.686	-0.805	44.828	0.008	0.008	0.000	0.000	0.000	0.000
491	C	537	LEU	0	-0.054	-0.028	47.318	0.000	0.000	0.000	0.000	0.000	0.000
492	C	538	ARG	1	0.792	0.879	47.326	0.003	0.003	0.000	0.000	0.000	0.000
493	C	539	ALA	0	0.001	0.010	47.643	0.000	0.000	0.000	0.000	0.000	0.000
494	C	540	ILE	0	-0.004	0.007	49.554	0.000	0.000	0.000	0.000	0.000	0.000
495	C	541	GLU	-1	-0.863	-0.925	52.354	-0.002	-0.002	0.000	0.000	0.000	0.000
496	C	542	PHE	0	-0.023	-0.026	48.177	0.000	0.000	0.000	0.000	0.000	0.000
497	C	543	GLU	-1	-0.821	-0.887	52.447	0.005	0.005	0.000	0.000	0.000	0.000
498	C	544	PHE	0	-0.025	-0.009	54.914	0.000	0.000	0.000	0.000	0.000	0.000
499	C	545	LYS	1	0.936	0.957	54.039	0.002	0.002	0.000	0.000	0.000	0.000
500	C	546	LYS	1	0.857	0.946	52.655	-0.005	-0.005	0.000	0.000	0.000	0.000
501	C	547	GLN	0	-0.019	-0.014	58.257	0.000	0.000	0.000	0.000	0.000	0.000
502	C	548	PHE	0	0.006	-0.002	60.984	0.000	0.000	0.000	0.000	0.000	0.000
503	C	549	GLY	0	0.020	0.021	61.640	0.000	0.000	0.000	0.000	0.000	0.000
504	C	550	PRO	0	0.019	-0.014	62.442	0.000	0.000	0.000	0.000	0.000	0.000
505	C	551	ALA	0	0.009	0.022	65.457	0.000	0.000	0.000	0.000	0.000	0.000
506	C	552	ILE	0	-0.007	-0.002	64.031	0.000	0.000	0.000	0.000	0.000	0.000
507	C	553	VAL	0	-0.015	-0.003	66.917	0.000	0.000	0.000	0.000	0.000	0.000
508	C	554	SER	0	-0.012	0.000	69.498	0.000	0.000	0.000	0.000	0.000	0.000
509	C	555	LEU	0	0.024	0.010	70.980	0.000	0.000	0.000	0.000	0.000	0.000
510	C	556	ILE	0	0.014	0.005	70.177	0.000	0.000	0.000	0.000	0.000	0.000
511	C	557	ASP	-1	-0.789	-0.888	73.385	0.000	0.000	0.000	0.000	0.000	0.000
512	C	558	GLN	0	-0.063	-0.029	75.606	0.000	0.000	0.000	0.000	0.000	0.000
513	C	559	HIS	0	-0.053	-0.027	76.063	0.000	0.000	0.000	0.000	0.000	0.000
514	C	560	PHE	0	0.020	-0.006	74.843	0.000	0.000	0.000	0.000	0.000	0.000
515	C	561	GLY	0	0.031	0.026	78.570	0.000	0.000	0.000	0.000	0.000	0.000
516	C	562	SER	0	-0.004	-0.012	79.317	0.000	0.000	0.000	0.000	0.000	0.000
517	C	563	ALA	0	-0.034	-0.001	81.704	0.000	0.000	0.000	0.000	0.000	0.000
518	C	564	MET	0	0.006	0.025	75.491	0.000	0.000	0.000	0.000	0.000	0.000
519	C	565	THR	0	-0.001	-0.007	80.552	0.000	0.000	0.000	0.000	0.000	0.000
520	C	566	GLY	0	-0.040	-0.009	81.921	0.000	0.000	0.000	0.000	0.000	0.000
521	C	567	SER	0	-0.030	-0.010	79.592	0.000	0.000	0.000	0.000	0.000	0.000
522	C	568	ASN	0	-0.026	-0.036	74.926	0.000	0.000	0.000	0.000	0.000	0.000
523	C	569	LEU	0	0.051	0.027	75.166	0.000	0.000	0.000	0.000	0.000	0.000
524	C	570	ARG	1	0.832	0.909	70.541	0.001	0.001	0.000	0.000	0.000	0.000
525	C	571	ASP	-1	-0.863	-0.943	69.849	-0.002	-0.002	0.000	0.000	0.000	0.000
526	C	572	GLU	-1	-0.904	-0.950	69.434	-0.004	-0.004	0.000	0.000	0.000	0.000
527	C	573	LEU	0	0.025	0.003	69.869	0.000	0.000	0.000	0.000	0.000	0.000
528	C	574	VAL	0	0.004	0.001	66.595	0.000	0.000	0.000	0.000	0.000	0.000
529	C	575	GLU	-1	-0.857	-0.907	64.076	-0.005	-0.005	0.000	0.000	0.000	0.000
530	C	576	LYS	1	0.937	0.961	65.205	0.005	0.005	0.000	0.000	0.000	0.000
531	C	577	VAL	0	0.023	0.013	66.734	0.000	0.000	0.000	0.000	0.000	0.000
532	C	578	ASN	0	0.012	0.001	62.625	0.000	0.000	0.000	0.000	0.000	0.000
533	C	579	LYS	1	0.830	0.899	61.364	0.005	0.005	0.000	0.000	0.000	0.000
534	C	580	THR	0	-0.047	-0.013	62.337	0.000	0.000	0.000	0.000	0.000	0.000
535	C	581	LEU	0	0.003	0.001	63.332	0.000	0.000	0.000	0.000	0.000	0.000
536	C	582	ALA	0	-0.042	-0.014	58.436	0.000	0.000	0.000	0.000	0.000	0.000
537	C	583	LYS	1	0.995	0.997	58.665	0.006	0.006	0.000	0.000	0.000	0.000
538	C	584	ARG	1	0.814	0.916	59.559	0.004	0.004	0.000	0.000	0.000	0.000
539	C	585	LEU	0	-0.025	-0.030	59.203	0.000	0.000	0.000	0.000	0.000	0.000
540	C	586	GLU	-1	-0.938	-0.954	55.111	-0.007	-0.007	0.000	0.000	0.000	0.000
541	C	587	GLN	0	0.006	0.003	55.996	0.000	0.000	0.000	0.000	0.000	0.000
542	C	588	THR	0	-0.003	0.001	58.394	0.000	0.000	0.000	0.000	0.000	0.000
543	C	589	ASN	0	-0.044	-0.038	53.384	0.001	0.001	0.000	0.000	0.000	0.000
544	C	590	SER	0	-0.018	-0.032	56.768	0.000	0.000	0.000	0.000	0.000	0.000
545	C	591	TYR	0	-0.055	-0.013	58.463	0.000	0.000	0.000	0.000	0.000	0.000
546	C	592	ASP	-1	-0.773	-0.859	60.999	0.000	0.000	0.000	0.000	0.000	0.000
547	C	593	LEU	0	-0.038	-0.036	61.544	0.000	0.000	0.000	0.000	0.000	0.000
548	C	594	VAL	0	0.026	0.000	63.706	0.000	0.000	0.000	0.000	0.000	0.000
549	C	595	PRO	0	0.000	-0.005	65.883	0.000	0.000	0.000	0.000	0.000	0.000
550	C	596	ARG	1	0.890	0.943	57.163	0.002	0.002	0.000	0.000	0.000	0.000
551	C	597	TRP	0	0.033	0.019	61.361	0.000	0.000	0.000	0.000	0.000	0.000
552	C	598	HIS	0	0.037	0.011	66.508	0.000	0.000	0.000	0.000	0.000	0.000
553	C	599	ASP	-1	-0.833	-0.890	65.839	-0.003	-0.003	0.000	0.000	0.000	0.000
554	C	600	ALA	0	0.036	0.018	64.683	0.000	0.000	0.000	0.000	0.000	0.000
555	C	601	PHE	0	0.027	-0.002	66.522	0.000	0.000	0.000	0.000	0.000	0.000
556	C	602	SER	0	-0.054	-0.014	69.672	0.000	0.000	0.000	0.000	0.000	0.000
557	C	603	PHE	0	0.004	0.000	65.579	0.000	0.000	0.000	0.000	0.000	0.000
558	C	604	ALA	0	0.021	0.000	68.358	0.000	0.000	0.000	0.000	0.000	0.000
559	C	605	ALA	0	0.002	-0.002	69.999	0.000	0.000	0.000	0.000	0.000	0.000
560	C	606	GLY	0	-0.011	0.005	72.809	0.000	0.000	0.000	0.000	0.000	0.000
561	C	607	THR	0	0.005	-0.009	68.950	0.000	0.000	0.000	0.000	0.000	0.000
562	C	608	VAL	0	-0.020	-0.007	72.233	0.000	0.000	0.000	0.000	0.000	0.000
563	C	609	VAL	0	-0.057	-0.021	74.932	0.000	0.000	0.000	0.000	0.000	0.000
564	C	610	GLU	-1	-0.948	-0.959	73.069	-0.005	-0.005	0.000	0.000	0.000	0.000
565	C	611	VAL	0	0.011	-0.013	72.237	0.000	0.000	0.000	0.000	0.000	0.000
566	C	612	LEU	0	-0.049	-0.030	75.573	0.000	0.000	0.000	0.000	0.000	0.000
567	C	613	SER	0	-0.011	0.016	78.682	0.000	0.000	0.000	0.000	0.000	0.000
568	C	614	SER	0	-0.044	-0.020	80.924	0.000	0.000	0.000	0.000	0.000	0.000
569	C	615	THR	0	-0.027	-0.014	81.040	0.000	0.000	0.000	0.000	0.000	0.000
570	C	616	SER	0	-0.008	-0.013	83.939	0.000	0.000	0.000	0.000	0.000	0.000
571	C	617	LEU	0	-0.006	0.010	80.138	0.000	0.000	0.000	0.000	0.000	0.000
572	C	618	SER	0	0.048	0.030	84.236	0.000	0.000	0.000	0.000	0.000	0.000
573	C	619	LEU	0	0.071	0.011	81.871	0.000	0.000	0.000	0.000	0.000	0.000
574	C	620	ALA	0	-0.023	-0.011	81.833	0.000	0.000	0.000	0.000	0.000	0.000
575	C	621	ALA	0	0.023	0.012	82.088	0.000	0.000	0.000	0.000	0.000	0.000
576	C	622	VAL	0	0.050	0.032	77.077	0.000	0.000	0.000	0.000	0.000	0.000
577	C	623	ASN	0	-0.019	-0.018	77.446	0.000	0.000	0.000	0.000	0.000	0.000
578	C	624	ALA	0	-0.010	-0.012	77.614	0.000	0.000	0.000	0.000	0.000	0.000
579	C	625	TRP	0	0.054	0.037	71.037	0.000	0.000	0.000	0.000	0.000	0.000
580	C	626	LYS	1	0.879	0.949	72.510	0.001	0.001	0.000	0.000	0.000	0.000
581	C	627	VAL	0	-0.060	-0.040	72.798	0.000	0.000	0.000	0.000	0.000	0.000
582	C	628	ALA	0	0.052	0.033	73.488	0.000	0.000	0.000	0.000	0.000	0.000
583	C	629	ALA	0	0.007	-0.002	70.065	0.000	0.000	0.000	0.000	0.000	0.000
584	C	630	ALA	0	-0.004	-0.003	68.860	0.000	0.000	0.000	0.000	0.000	0.000
585	C	631	GLU	-1	-0.959	-0.987	68.665	0.001	0.001	0.000	0.000	0.000	0.000
586	C	632	SER	0	-0.011	0.001	68.576	0.000	0.000	0.000	0.000	0.000	0.000
587	C	633	ALA	0	0.029	0.013	64.656	0.000	0.000	0.000	0.000	0.000	0.000
588	C	634	ILE	0	-0.027	-0.007	64.305	0.000	0.000	0.000	0.000	0.000	0.000
589	C	635	SER	0	-0.017	-0.023	64.857	0.000	0.000	0.000	0.000	0.000	0.000
590	C	636	LEU	0	0.008	0.021	61.854	0.000	0.000	0.000	0.000	0.000	0.000
591	C	637	THR	0	-0.031	-0.020	59.457	0.000	0.000	0.000	0.000	0.000	0.000
592	C	638	ARG	1	0.931	0.959	60.185	-0.002	-0.002	0.000	0.000	0.000	0.000
593	C	639	GLN	0	0.041	0.030	61.143	0.000	0.000	0.000	0.000	0.000	0.000
594	C	640	VAL	0	0.027	0.011	56.352	0.001	0.001	0.000	0.000	0.000	0.000
595	C	641	ARG	1	0.894	0.949	56.295	-0.002	-0.002	0.000	0.000	0.000	0.000
596	C	642	GLU	-1	-0.834	-0.913	56.419	0.007	0.007	0.000	0.000	0.000	0.000
597	C	643	THR	0	-0.038	-0.017	55.640	0.001	0.001	0.000	0.000	0.000	0.000
598	C	644	PHE	0	-0.056	-0.027	48.659	0.001	0.001	0.000	0.000	0.000	0.000
599	C	645	TRP	0	-0.009	-0.027	50.663	0.001	0.001	0.000	0.000	0.000	0.000
600	C	646	SER	0	-0.084	-0.012	54.398	0.001	0.001	0.000	0.000	0.000	0.000
601	C	647	ALA	0	0.026	0.011	52.417	0.001	0.001	0.000	0.000	0.000	0.000
602	C	648	ALA	0	-0.004	0.001	48.090	0.000	0.000	0.000	0.000	0.000	0.000
603	C	649	SER	0	-0.011	-0.060	44.291	-0.001	-0.001	0.000	0.000	0.000	0.000
604	C	650	THR	0	-0.009	-0.010	43.383	-0.001	-0.001	0.000	0.000	0.000	0.000
605	C	651	SER	0	-0.034	-0.015	45.582	0.000	0.000	0.000	0.000	0.000	0.000
606	C	652	SER	0	0.005	0.018	45.878	-0.001	-0.001	0.000	0.000	0.000	0.000
607	C	653	PRO	0	0.047	0.019	47.349	0.000	0.000	0.000	0.000	0.000	0.000
608	C	654	ALA	0	0.030	-0.001	44.313	-0.001	-0.001	0.000	0.000	0.000	0.000
609	C	655	LEU	0	-0.048	-0.028	41.996	-0.001	-0.001	0.000	0.000	0.000	0.000
610	C	656	SER	0	-0.047	-0.008	44.195	0.000	0.000	0.000	0.000	0.000	0.000
611	C	657	TYR	0	-0.106	-0.093	45.239	-0.001	-0.001	0.000	0.000	0.000	0.000
612	C	658	LEU	0	-0.008	0.009	39.697	-0.001	-0.001	0.000	0.000	0.000	0.000
613	C	659	SER	0	-0.007	-0.010	36.053	0.002	0.002	0.000	0.000	0.000	0.000
614	C	660	PRO	0	0.021	0.002	36.198	0.002	0.002	0.000	0.000	0.000	0.000
615	C	661	ARG	1	0.860	0.918	28.751	-0.006	-0.006	0.000	0.000	0.000	0.000
616	C	662	THR	0	0.003	-0.034	33.746	0.002	0.002	0.000	0.000	0.000	0.000
617	C	663	GLN	0	0.012	0.007	35.609	0.000	0.000	0.000	0.000	0.000	0.000
618	C	664	ILE	0	-0.047	-0.018	31.310	0.003	0.003	0.000	0.000	0.000	0.000
619	C	665	LEU	0	0.026	0.002	31.883	0.002	0.002	0.000	0.000	0.000	0.000
620	C	666	TYR	0	-0.062	-0.078	34.370	0.001	0.001	0.000	0.000	0.000	0.000
621	C	667	ALA	0	0.024	0.012	37.141	0.001	0.001	0.000	0.000	0.000	0.000
622	C	668	PHE	0	0.004	0.010	31.712	0.001	0.001	0.000	0.000	0.000	0.000
623	C	669	VAL	0	0.022	0.001	35.589	0.001	0.001	0.000	0.000	0.000	0.000
624	C	670	ARG	1	0.821	0.903	37.564	-0.009	-0.009	0.000	0.000	0.000	0.000
625	C	671	GLU	-1	-0.852	-0.881	39.280	0.019	0.019	0.000	0.000	0.000	0.000
626	C	672	GLU	-1	-0.921	-0.958	33.886	0.039	0.039	0.000	0.000	0.000	0.000
627	C	673	LEU	0	-0.091	-0.039	34.261	0.001	0.001	0.000	0.000	0.000	0.000
628	C	674	GLY	0	-0.001	0.011	38.178	-0.001	-0.001	0.000	0.000	0.000	0.000
629	C	675	VAL	0	-0.040	-0.015	39.973	-0.002	-0.002	0.000	0.000	0.000	0.000
630	C	676	LYS	1	0.865	0.924	42.367	-0.018	-0.018	0.000	0.000	0.000	0.000
631	C	677	ALA	0	0.020	0.025	45.385	-0.001	-0.001	0.000	0.000	0.000	0.000
632	C	678	ARG	1	0.802	0.886	47.342	-0.007	-0.007	0.000	0.000	0.000	0.000
633	C	679	ARG	1	0.778	0.879	49.886	-0.007	-0.007	0.000	0.000	0.000	0.000
634	C	680	GLY	0	0.022	-0.004	53.552	-0.001	-0.001	0.000	0.000	0.000	0.000
635	C	681	ASP	-1	-0.810	-0.904	54.268	0.007	0.007	0.000	0.000	0.000	0.000
636	C	682	VAL	0	-0.001	-0.005	56.605	0.000	0.000	0.000	0.000	0.000	0.000
637	C	683	PHE	0	-0.022	-0.006	58.340	0.000	0.000	0.000	0.000	0.000	0.000
638	C	684	LEU	0	-0.018	-0.014	54.775	0.000	0.000	0.000	0.000	0.000	0.000
639	C	685	GLY	0	-0.008	0.022	59.353	0.000	0.000	0.000	0.000	0.000	0.000
640	C	686	LYS	1	0.940	0.962	54.929	-0.010	-0.010	0.000	0.000	0.000	0.000
641	C	687	GLN	0	-0.023	0.000	55.677	0.000	0.000	0.000	0.000	0.000	0.000
642	C	688	GLU	-1	-0.963	-0.979	51.744	0.010	0.010	0.000	0.000	0.000	0.000
643	C	689	VAL	0	0.044	0.012	46.864	0.000	0.000	0.000	0.000	0.000	0.000
644	C	690	THR	0	0.036	0.017	47.364	0.000	0.000	0.000	0.000	0.000	0.000
645	C	691	ILE	0	0.047	0.024	45.011	0.001	0.001	0.000	0.000	0.000	0.000
646	C	692	GLY	0	0.046	0.032	43.569	0.000	0.000	0.000	0.000	0.000	0.000
647	C	693	SER	0	0.010	0.015	42.326	0.001	0.001	0.000	0.000	0.000	0.000
648	C	694	ASN	0	-0.002	-0.003	41.871	0.003	0.003	0.000	0.000	0.000	0.000
649	C	695	VAL	0	0.006	-0.007	38.824	0.001	0.001	0.000	0.000	0.000	0.000
650	C	696	SER	0	-0.004	-0.025	38.023	0.000	0.000	0.000	0.000	0.000	0.000
651	C	697	LYS	1	0.974	1.003	36.901	-0.020	-0.020	0.000	0.000	0.000	0.000
652	C	698	ILE	0	-0.016	0.003	34.575	0.002	0.002	0.000	0.000	0.000	0.000
653	C	699	TYR	0	-0.045	-0.070	32.910	0.002	0.002	0.000	0.000	0.000	0.000
654	C	700	GLU	-1	-0.932	-0.962	32.172	0.023	0.023	0.000	0.000	0.000	0.000
655	C	701	ALA	0	-0.031	-0.010	31.284	0.004	0.004	0.000	0.000	0.000	0.000
656	C	702	ILE	0	-0.028	-0.019	28.210	0.003	0.003	0.000	0.000	0.000	0.000
657	C	703	LYS	1	0.865	0.938	27.439	-0.012	-0.012	0.000	0.000	0.000	0.000
658	C	704	SER	0	-0.048	-0.016	26.919	0.004	0.004	0.000	0.000	0.000	0.000
659	C	705	GLY	0	0.011	-0.002	24.752	0.008	0.008	0.000	0.000	0.000	0.000
660	C	706	ARG	1	0.874	0.950	25.562	-0.035	-0.035	0.000	0.000	0.000	0.000
661	C	707	ILE	0	0.021	0.007	27.356	0.001	0.001	0.000	0.000	0.000	0.000
662	C	708	ASN	0	0.038	0.015	22.298	-0.010	-0.010	0.000	0.000	0.000	0.000
663	C	709	ASN	0	0.049	0.009	22.888	-0.002	-0.002	0.000	0.000	0.000	0.000
664	C	710	VAL	0	-0.019	0.006	25.015	-0.001	-0.001	0.000	0.000	0.000	0.000
665	C	711	LEU	0	-0.004	-0.013	25.276	-0.003	-0.003	0.000	0.000	0.000	0.000
666	C	712	LEU	0	0.033	0.023	20.751	-0.005	-0.005	0.000	0.000	0.000	0.000
667	C	713	LYS	1	0.947	0.979	24.183	-0.038	-0.038	0.000	0.000	0.000	0.000
668	C	714	MET	0	-0.055	-0.009	27.038	-0.002	-0.002	0.000	0.000	0.000	0.000
669	C	715	LEU	0	-0.005	0.001	25.201	-0.004	-0.004	0.000	0.000	0.000	0.000
670	C	716	ALA	0	-0.033	0.008	23.496	-0.008	-0.008	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(C:26:ALA)