FMO DATABASE

FMODB ID: Z66RN

Calculation Name: 3ZKV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3ZKV

Chain ID: A

ChEMBL ID:

UniProt ID: Q9VEC5

Base Structure: X-ray

Registration Date: 2023-06-21

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	892
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23364393.374753
FMO2-HF: Nuclear repulsion	22996147.970829
FMO2-HF: Total energy	-368245.403924
FMO2-MP2: Total energy	-369283.701209

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:54:GLN)

Summations of interaction energy for fragment #1(A:54:GLN)

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.
-9.308	-8.239	8.27	-4.253	-5.087	-0.018

Interaction energy analysis for fragmet #1(A:54:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.035 / q_NPA : 0.012

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	56	VAL	0	0.017	-0.003	2.975	-2.697	-0.324	0.515	-1.198	-1.691	0.010
4	A	57	GLN	0	0.015	0.009	1.969	-4.280	-5.717	7.756	-3.043	-3.276	-0.028
5	A	58	PHE	0	-0.008	0.000	4.863	-0.125	0.008	-0.001	-0.012	-0.120	0.000
6	A	59	PHE	0	0.039	0.018	7.486	0.036	0.036	0.000	0.000	0.000	0.000
7	A	60	GLY	0	0.039	0.036	7.806	-0.063	-0.063	0.000	0.000	0.000	0.000
8	A	61	ALA	0	0.008	0.002	8.966	-0.122	-0.122	0.000	0.000	0.000	0.000
9	A	62	ILE	0	-0.013	-0.015	10.936	-0.072	-0.072	0.000	0.000	0.000	0.000
10	A	63	THR	0	-0.009	-0.010	12.321	-0.064	-0.064	0.000	0.000	0.000	0.000
11	A	64	LEU	0	-0.007	-0.005	13.366	-0.041	-0.041	0.000	0.000	0.000	0.000
12	A	65	HIS	0	-0.005	0.003	14.968	-0.052	-0.052	0.000	0.000	0.000	0.000
13	A	66	SER	0	-0.031	-0.023	16.774	-0.054	-0.054	0.000	0.000	0.000	0.000
14	A	67	LYS	1	0.823	0.898	17.977	-0.292	-0.292	0.000	0.000	0.000	0.000
15	A	68	LEU	0	-0.006	-0.001	19.301	-0.019	-0.019	0.000	0.000	0.000	0.000
16	A	69	MET	0	-0.005	0.002	20.964	-0.023	-0.023	0.000	0.000	0.000	0.000
17	A	70	LYS	1	0.865	0.918	20.232	-0.110	-0.110	0.000	0.000	0.000	0.000
18	A	71	HIS	0	0.010	-0.005	22.843	0.003	0.003	0.000	0.000	0.000	0.000
19	A	72	TRP	0	0.063	0.041	24.552	0.024	0.024	0.000	0.000	0.000	0.000
20	A	73	HIS	0	0.017	0.006	26.455	0.002	0.002	0.000	0.000	0.000	0.000
21	A	74	GLU	-1	-0.881	-0.922	23.909	0.246	0.246	0.000	0.000	0.000	0.000
22	A	75	VAL	0	-0.024	-0.003	23.272	0.018	0.018	0.000	0.000	0.000	0.000
23	A	76	PRO	0	-0.038	-0.009	26.671	-0.011	-0.011	0.000	0.000	0.000	0.000
24	A	99	LYS	1	0.885	0.919	7.612	0.170	0.170	0.000	0.000	0.000	0.000
25	A	100	ILE	0	0.054	0.023	7.785	0.181	0.181	0.000	0.000	0.000	0.000
26	A	101	VAL	0	0.022	-0.001	6.131	0.039	0.039	0.000	0.000	0.000	0.000
27	A	102	LEU	0	0.021	0.021	9.417	0.070	0.070	0.000	0.000	0.000	0.000
28	A	103	ASN	0	0.087	0.046	12.255	0.036	0.036	0.000	0.000	0.000	0.000
29	A	104	ARG	1	0.888	0.947	12.081	0.079	0.079	0.000	0.000	0.000	0.000
30	A	105	LEU	0	0.022	0.025	13.076	0.019	0.019	0.000	0.000	0.000	0.000
31	A	106	CYS	0	-0.036	-0.009	14.830	-0.010	-0.010	0.000	0.000	0.000	0.000
32	A	107	ILE	0	0.035	-0.001	16.811	-0.009	-0.009	0.000	0.000	0.000	0.000
33	A	108	SER	0	-0.048	-0.035	16.247	0.006	0.006	0.000	0.000	0.000	0.000
34	A	109	LEU	0	-0.008	-0.002	18.781	-0.002	-0.002	0.000	0.000	0.000	0.000
35	A	110	GLY	0	0.028	0.011	20.809	-0.013	-0.013	0.000	0.000	0.000	0.000
36	A	111	ALA	0	0.007	-0.006	21.762	-0.008	-0.008	0.000	0.000	0.000	0.000
37	A	112	TYR	0	-0.022	-0.014	22.431	0.003	0.003	0.000	0.000	0.000	0.000
38	A	113	ILE	0	-0.010	-0.012	24.198	-0.009	-0.009	0.000	0.000	0.000	0.000
39	A	114	VAL	0	-0.044	-0.016	26.595	-0.011	-0.011	0.000	0.000	0.000	0.000
40	A	115	HIS	0	-0.025	-0.011	25.056	-0.019	-0.019	0.000	0.000	0.000	0.000
41	A	116	MET	0	-0.084	-0.020	27.988	0.004	0.004	0.000	0.000	0.000	0.000
42	A	117	LEU	0	-0.007	-0.010	30.736	-0.008	-0.008	0.000	0.000	0.000	0.000
43	A	118	GLY	0	-0.009	0.009	34.331	-0.008	-0.008	0.000	0.000	0.000	0.000
44	A	119	GLU	-1	-0.854	-0.953	31.420	0.125	0.125	0.000	0.000	0.000	0.000
45	A	120	TRP	0	0.067	-0.009	34.204	-0.003	-0.003	0.000	0.000	0.000	0.000
46	A	121	PRO	0	-0.076	-0.026	35.333	-0.009	-0.009	0.000	0.000	0.000	0.000
47	A	122	GLY	0	0.037	0.032	35.554	-0.007	-0.007	0.000	0.000	0.000	0.000
48	A	123	ALA	0	0.073	0.020	30.490	-0.010	-0.010	0.000	0.000	0.000	0.000
49	A	124	ILE	0	-0.003	0.005	29.931	0.007	0.007	0.000	0.000	0.000	0.000
50	A	125	GLU	-1	-0.830	-0.914	30.882	0.056	0.056	0.000	0.000	0.000	0.000
51	A	126	GLU	-1	-0.874	-0.921	30.987	0.128	0.128	0.000	0.000	0.000	0.000
52	A	127	VAL	0	-0.009	0.001	25.366	0.011	0.011	0.000	0.000	0.000	0.000
53	A	128	ILE	0	0.035	0.014	27.757	0.004	0.004	0.000	0.000	0.000	0.000
54	A	129	ASN	0	-0.035	-0.032	29.514	-0.004	-0.004	0.000	0.000	0.000	0.000
55	A	130	THR	0	-0.049	-0.032	26.154	0.004	0.004	0.000	0.000	0.000	0.000
56	A	131	PHE	0	-0.042	-0.024	20.984	0.016	0.016	0.000	0.000	0.000	0.000
57	A	132	GLN	0	0.033	0.016	26.099	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	133	ASN	0	-0.034	-0.010	28.582	0.003	0.003	0.000	0.000	0.000	0.000
59	A	134	GLN	0	0.000	-0.010	24.912	0.012	0.012	0.000	0.000	0.000	0.000
60	A	135	ARG	1	0.873	0.939	25.969	-0.158	-0.158	0.000	0.000	0.000	0.000
61	A	136	MET	0	0.033	0.010	20.983	0.011	0.011	0.000	0.000	0.000	0.000
62	A	137	PRO	0	-0.072	-0.019	21.211	0.031	0.031	0.000	0.000	0.000	0.000
63	A	138	ASN	0	0.002	0.006	21.307	-0.036	-0.036	0.000	0.000	0.000	0.000
64	A	139	VAL	0	-0.018	-0.007	15.668	0.010	0.010	0.000	0.000	0.000	0.000
65	A	140	SER	0	0.021	0.015	17.108	-0.019	-0.019	0.000	0.000	0.000	0.000
66	A	141	ALA	0	0.040	0.017	19.793	0.013	0.013	0.000	0.000	0.000	0.000
67	A	142	ASP	-1	-0.719	-0.868	21.085	-0.032	-0.032	0.000	0.000	0.000	0.000
68	A	143	VAL	0	0.022	0.025	15.273	-0.022	-0.022	0.000	0.000	0.000	0.000
69	A	144	GLN	0	0.006	0.001	18.223	0.018	0.018	0.000	0.000	0.000	0.000
70	A	145	LEU	0	-0.003	0.004	20.610	0.003	0.003	0.000	0.000	0.000	0.000
71	A	146	TRP	0	0.021	0.013	13.472	0.008	0.008	0.000	0.000	0.000	0.000
72	A	147	ILE	0	-0.020	-0.029	15.905	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	148	MET	0	-0.033	-0.008	19.197	-0.005	-0.005	0.000	0.000	0.000	0.000
74	A	149	LEU	0	0.024	0.017	22.149	-0.004	-0.004	0.000	0.000	0.000	0.000
75	A	150	GLU	-1	-0.795	-0.888	17.723	-0.156	-0.156	0.000	0.000	0.000	0.000
76	A	151	VAL	0	-0.038	-0.015	20.406	0.001	0.001	0.000	0.000	0.000	0.000
77	A	152	LEU	0	-0.003	-0.011	22.355	-0.004	-0.004	0.000	0.000	0.000	0.000
78	A	153	THR	0	-0.009	-0.035	22.987	-0.018	-0.018	0.000	0.000	0.000	0.000
79	A	154	ALA	0	0.004	0.004	21.556	-0.010	-0.010	0.000	0.000	0.000	0.000
80	A	155	ILE	0	-0.007	0.011	23.652	-0.001	-0.001	0.000	0.000	0.000	0.000
81	A	156	PRO	0	0.030	0.018	26.763	0.003	0.003	0.000	0.000	0.000	0.000
82	A	157	GLU	-1	-0.746	-0.830	25.273	-0.089	-0.089	0.000	0.000	0.000	0.000
83	A	158	GLU	-1	-0.786	-0.905	22.279	0.058	0.058	0.000	0.000	0.000	0.000
84	A	159	ALA	0	0.019	0.021	26.257	0.004	0.004	0.000	0.000	0.000	0.000
85	A	160	GLN	0	-0.044	-0.007	29.510	0.005	0.005	0.000	0.000	0.000	0.000
86	A	161	VAL	0	-0.051	-0.029	25.358	-0.003	-0.003	0.000	0.000	0.000	0.000
87	A	162	ILE	0	-0.048	0.010	25.156	0.008	0.008	0.000	0.000	0.000	0.000
88	A	163	HIS	0	-0.010	-0.002	26.254	-0.007	-0.007	0.000	0.000	0.000	0.000
89	A	164	THR	0	0.019	0.011	29.172	0.014	0.014	0.000	0.000	0.000	0.000
90	A	165	SER	0	0.020	0.013	31.229	-0.003	-0.003	0.000	0.000	0.000	0.000
91	A	166	VAL	0	-0.012	0.008	34.346	-0.005	-0.005	0.000	0.000	0.000	0.000
92	A	167	LYS	1	0.969	0.971	36.072	-0.029	-0.029	0.000	0.000	0.000	0.000
93	A	168	ARG	1	0.895	0.915	30.496	-0.032	-0.032	0.000	0.000	0.000	0.000
94	A	169	VAL	0	-0.015	-0.005	36.732	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	170	VAL	0	-0.010	0.004	39.397	-0.003	-0.003	0.000	0.000	0.000	0.000
96	A	171	LEU	0	0.086	0.058	31.589	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	172	ARG	1	0.858	0.912	34.487	0.018	0.018	0.000	0.000	0.000	0.000
98	A	173	ALA	0	0.002	0.006	36.833	-0.003	-0.003	0.000	0.000	0.000	0.000
99	A	174	GLU	-1	-0.886	-0.959	36.798	0.057	0.057	0.000	0.000	0.000	0.000
100	A	175	ILE	0	0.007	0.009	31.533	0.001	0.001	0.000	0.000	0.000	0.000
101	A	176	ALA	0	0.033	0.015	35.344	-0.003	-0.003	0.000	0.000	0.000	0.000
102	A	177	LYS	1	0.794	0.926	38.296	-0.058	-0.058	0.000	0.000	0.000	0.000
103	A	178	ARG	1	0.781	0.866	34.307	-0.052	-0.052	0.000	0.000	0.000	0.000
104	A	179	VAL	0	0.040	0.033	34.923	0.000	0.000	0.000	0.000	0.000	0.000
105	A	180	GLN	0	0.025	0.015	35.983	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	181	LEU	0	0.005	0.021	34.325	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	182	VAL	0	-0.006	0.005	30.542	0.001	0.001	0.000	0.000	0.000	0.000
108	A	183	ILE	0	0.059	0.030	32.978	-0.006	-0.006	0.000	0.000	0.000	0.000
109	A	184	HIS	0	0.054	0.024	35.200	0.000	0.000	0.000	0.000	0.000	0.000
110	A	185	THR	0	-0.082	-0.058	30.940	0.002	0.002	0.000	0.000	0.000	0.000
111	A	186	VAL	0	0.002	0.005	29.178	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	187	GLU	-1	-0.745	-0.847	31.724	-0.040	-0.040	0.000	0.000	0.000	0.000
113	A	188	ARG	1	0.872	0.926	34.844	-0.019	-0.019	0.000	0.000	0.000	0.000
114	A	189	TYR	0	-0.017	-0.012	26.066	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	190	LEU	0	0.019	0.008	29.372	-0.005	-0.005	0.000	0.000	0.000	0.000
116	A	191	LYS	1	0.878	0.938	32.094	0.031	0.031	0.000	0.000	0.000	0.000
117	A	192	LEU	0	-0.031	-0.009	31.462	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	193	GLN	0	0.049	0.026	25.659	0.015	0.015	0.000	0.000	0.000	0.000
119	A	194	MET	0	0.024	0.034	30.877	-0.013	-0.013	0.000	0.000	0.000	0.000
120	A	195	ASN	0	-0.067	-0.040	33.553	-0.006	-0.006	0.000	0.000	0.000	0.000
121	A	196	ARG	1	0.764	0.882	25.500	0.038	0.038	0.000	0.000	0.000	0.000
122	A	197	VAL	0	0.020	0.010	28.403	-0.007	-0.007	0.000	0.000	0.000	0.000
123	A	198	TRP	0	-0.017	-0.036	26.765	0.007	0.007	0.000	0.000	0.000	0.000
124	A	199	ASP	-1	-0.808	-0.895	21.651	-0.171	-0.171	0.000	0.000	0.000	0.000
125	A	200	ALA	0	0.088	0.031	19.247	0.006	0.006	0.000	0.000	0.000	0.000
126	A	201	GLU	-1	-0.822	-0.894	15.693	-0.261	-0.261	0.000	0.000	0.000	0.000
127	A	202	ALA	0	-0.017	-0.006	19.629	0.023	0.023	0.000	0.000	0.000	0.000
128	A	203	TYR	0	-0.002	-0.019	23.101	0.019	0.019	0.000	0.000	0.000	0.000
129	A	204	SER	0	-0.028	0.001	18.034	0.003	0.003	0.000	0.000	0.000	0.000
130	A	205	ASN	0	-0.030	-0.052	20.897	0.009	0.009	0.000	0.000	0.000	0.000
131	A	206	MET	0	0.011	0.008	22.721	0.016	0.016	0.000	0.000	0.000	0.000
132	A	207	ASN	0	0.011	0.019	23.043	0.031	0.031	0.000	0.000	0.000	0.000
133	A	208	ARG	1	0.762	0.837	19.404	0.325	0.325	0.000	0.000	0.000	0.000
134	A	209	ALA	0	0.008	0.009	23.252	0.021	0.021	0.000	0.000	0.000	0.000
135	A	210	VAL	0	0.010	-0.003	26.606	0.013	0.013	0.000	0.000	0.000	0.000
136	A	211	LYS	1	0.846	0.937	21.378	0.137	0.137	0.000	0.000	0.000	0.000
137	A	212	CYS	0	-0.099	-0.017	25.668	0.015	0.015	0.000	0.000	0.000	0.000
138	A	213	VAL	0	0.004	-0.010	27.148	0.010	0.010	0.000	0.000	0.000	0.000
139	A	214	GLY	0	0.072	0.044	30.200	0.006	0.006	0.000	0.000	0.000	0.000
140	A	215	THR	0	-0.070	-0.060	26.694	0.006	0.006	0.000	0.000	0.000	0.000
141	A	216	TRP	0	-0.029	-0.039	28.657	0.013	0.013	0.000	0.000	0.000	0.000
142	A	217	ILE	0	0.000	0.001	31.967	0.007	0.007	0.000	0.000	0.000	0.000
143	A	218	LYS	1	0.797	0.894	28.689	0.092	0.092	0.000	0.000	0.000	0.000
144	A	219	ASN	0	-0.069	-0.039	29.355	-0.006	-0.006	0.000	0.000	0.000	0.000
145	A	220	ILE	0	-0.047	-0.023	33.653	0.010	0.010	0.000	0.000	0.000	0.000
146	A	221	GLY	0	0.034	0.027	36.310	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	222	TYR	0	-0.037	-0.052	39.102	0.010	0.010	0.000	0.000	0.000	0.000
148	A	223	THR	0	-0.028	-0.005	41.075	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	224	ILE	0	0.105	0.052	42.944	0.000	0.000	0.000	0.000	0.000	0.000
150	A	225	GLU	-1	-0.798	-0.903	44.164	-0.028	-0.028	0.000	0.000	0.000	0.000
151	A	226	GLY	0	-0.056	-0.015	43.510	0.000	0.000	0.000	0.000	0.000	0.000
152	A	227	CYS	0	-0.010	0.005	39.055	0.001	0.001	0.000	0.000	0.000	0.000
153	A	228	VAL	0	0.038	0.038	40.809	-0.006	-0.006	0.000	0.000	0.000	0.000
154	A	229	THR	0	-0.061	-0.050	40.503	-0.004	-0.004	0.000	0.000	0.000	0.000
155	A	230	ILE	0	0.015	0.006	33.822	-0.004	-0.004	0.000	0.000	0.000	0.000
156	A	231	THR	0	-0.006	-0.020	37.428	-0.009	-0.009	0.000	0.000	0.000	0.000
157	A	232	ALA	0	0.009	0.009	39.395	-0.006	-0.006	0.000	0.000	0.000	0.000
158	A	233	VAL	0	-0.004	-0.003	34.781	-0.004	-0.004	0.000	0.000	0.000	0.000
159	A	234	LEU	0	-0.039	-0.021	32.878	-0.008	-0.008	0.000	0.000	0.000	0.000
160	A	235	LEU	0	0.032	0.020	35.608	-0.010	-0.010	0.000	0.000	0.000	0.000
161	A	236	GLU	-1	-0.915	-0.957	37.380	-0.067	-0.067	0.000	0.000	0.000	0.000
162	A	237	VAL	0	-0.057	-0.034	30.911	-0.006	-0.006	0.000	0.000	0.000	0.000
163	A	238	VAL	0	0.035	0.017	33.563	-0.011	-0.011	0.000	0.000	0.000	0.000
164	A	239	HIS	0	-0.006	0.003	34.970	-0.007	-0.007	0.000	0.000	0.000	0.000
165	A	240	LYS	1	0.812	0.914	32.754	0.099	0.099	0.000	0.000	0.000	0.000
166	A	241	CYS	0	-0.055	-0.031	30.807	-0.007	-0.007	0.000	0.000	0.000	0.000
167	A	242	TYR	0	-0.019	-0.020	32.559	-0.006	-0.006	0.000	0.000	0.000	0.000
168	A	243	TRP	0	0.004	-0.022	35.350	-0.005	-0.005	0.000	0.000	0.000	0.000
169	A	244	PRO	0	-0.062	-0.036	33.295	0.002	0.002	0.000	0.000	0.000	0.000
170	A	245	CYS	0	-0.071	-0.014	33.014	-0.004	-0.004	0.000	0.000	0.000	0.000
171	A	246	ILE	0	-0.018	0.005	34.656	-0.003	-0.003	0.000	0.000	0.000	0.000
172	A	247	HIS	0	-0.101	-0.041	38.377	0.007	0.007	0.000	0.000	0.000	0.000
173	A	248	ALA	0	-0.031	-0.037	40.109	0.008	0.008	0.000	0.000	0.000	0.000
174	A	249	GLY	0	-0.010	0.003	37.541	-0.006	-0.006	0.000	0.000	0.000	0.000
175	A	250	ASP	-1	-0.819	-0.874	37.329	-0.155	-0.155	0.000	0.000	0.000	0.000
176	A	251	GLY	0	0.088	0.036	36.166	0.012	0.012	0.000	0.000	0.000	0.000
177	A	252	CYS	0	-0.036	-0.013	29.921	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	253	MET	0	0.024	0.034	30.132	0.000	0.000	0.000	0.000	0.000	0.000
179	A	254	THR	0	-0.040	-0.033	26.228	-0.026	-0.026	0.000	0.000	0.000	0.000
180	A	255	ALA	0	0.001	0.005	24.101	-0.028	-0.028	0.000	0.000	0.000	0.000
181	A	256	ASP	-1	-0.909	-0.952	21.360	-0.415	-0.415	0.000	0.000	0.000	0.000
182	A	257	GLU	-1	-0.803	-0.901	23.732	-0.195	-0.195	0.000	0.000	0.000	0.000
183	A	258	ASN	0	-0.036	-0.033	27.094	0.007	0.007	0.000	0.000	0.000	0.000
184	A	259	GLU	-1	-0.759	-0.843	21.240	-0.345	-0.345	0.000	0.000	0.000	0.000
185	A	260	LEU	0	-0.038	-0.028	25.664	0.020	0.020	0.000	0.000	0.000	0.000
186	A	261	ALA	0	0.056	0.034	27.135	0.020	0.020	0.000	0.000	0.000	0.000
187	A	262	GLU	-1	-0.715	-0.852	28.544	-0.183	-0.183	0.000	0.000	0.000	0.000
188	A	263	SER	0	-0.064	-0.032	26.133	0.018	0.018	0.000	0.000	0.000	0.000
189	A	264	CYS	0	-0.077	-0.036	28.760	0.022	0.022	0.000	0.000	0.000	0.000
190	A	265	LEU	0	0.063	0.021	31.833	0.014	0.014	0.000	0.000	0.000	0.000
191	A	266	LYS	1	0.879	0.955	29.824	0.144	0.144	0.000	0.000	0.000	0.000
192	A	267	THR	0	0.007	-0.022	31.555	0.014	0.014	0.000	0.000	0.000	0.000
193	A	268	MET	0	-0.054	-0.008	33.303	0.010	0.010	0.000	0.000	0.000	0.000
194	A	269	VAL	0	0.037	0.018	35.709	0.008	0.008	0.000	0.000	0.000	0.000
195	A	270	ASN	0	-0.069	-0.046	32.105	0.000	0.000	0.000	0.000	0.000	0.000
196	A	271	ILE	0	-0.023	-0.020	36.158	0.008	0.008	0.000	0.000	0.000	0.000
197	A	272	ILE	0	-0.038	-0.006	38.741	0.007	0.007	0.000	0.000	0.000	0.000
198	A	273	ILE	0	0.034	0.011	37.055	0.003	0.003	0.000	0.000	0.000	0.000
199	A	274	GLN	0	-0.013	0.014	37.391	-0.002	-0.002	0.000	0.000	0.000	0.000
200	A	275	PRO	0	-0.018	-0.011	40.870	0.002	0.002	0.000	0.000	0.000	0.000
201	A	276	ASP	-1	-0.819	-0.896	43.822	-0.035	-0.035	0.000	0.000	0.000	0.000
202	A	277	CYS	0	-0.088	-0.061	46.535	0.002	0.002	0.000	0.000	0.000	0.000
203	A	278	HIS	0	0.002	0.002	48.649	0.000	0.000	0.000	0.000	0.000	0.000
204	A	279	ASN	0	0.030	0.035	49.219	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	280	TYR	0	0.009	-0.006	50.230	0.000	0.000	0.000	0.000	0.000	0.000
206	A	281	PRO	0	0.036	0.026	51.445	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	282	LYS	1	0.903	0.952	52.859	0.033	0.033	0.000	0.000	0.000	0.000
208	A	283	THR	0	0.011	-0.014	47.564	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	284	ALA	0	0.052	0.034	47.832	-0.003	-0.003	0.000	0.000	0.000	0.000
210	A	285	PHE	0	0.000	-0.007	48.482	-0.003	-0.003	0.000	0.000	0.000	0.000
211	A	286	VAL	0	-0.010	0.002	47.684	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	287	LEU	0	0.013	0.007	43.013	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	288	ILE	0	0.032	0.013	45.302	-0.004	-0.004	0.000	0.000	0.000	0.000
214	A	289	LYS	1	0.807	0.903	47.203	0.048	0.048	0.000	0.000	0.000	0.000
215	A	290	MET	0	-0.056	-0.025	43.234	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	291	PHE	0	0.044	0.010	40.192	-0.004	-0.004	0.000	0.000	0.000	0.000
217	A	292	LEU	0	0.001	0.001	43.972	-0.004	-0.004	0.000	0.000	0.000	0.000
218	A	293	ASP	-1	-0.812	-0.902	46.900	-0.063	-0.063	0.000	0.000	0.000	0.000
219	A	294	SER	0	-0.018	0.009	41.953	0.002	0.002	0.000	0.000	0.000	0.000
220	A	295	LEU	0	0.053	0.032	39.141	-0.006	-0.006	0.000	0.000	0.000	0.000
221	A	296	SER	0	-0.033	-0.024	42.770	-0.005	-0.005	0.000	0.000	0.000	0.000
222	A	297	GLU	-1	-0.842	-0.938	43.940	-0.091	-0.091	0.000	0.000	0.000	0.000
223	A	298	ILE	0	0.038	0.050	38.375	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	299	THR	0	-0.009	-0.020	42.170	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	300	LYS	1	0.749	0.855	43.893	0.091	0.091	0.000	0.000	0.000	0.000
226	A	301	THR	0	-0.064	-0.029	42.852	0.005	0.005	0.000	0.000	0.000	0.000
227	A	302	GLU	-1	-0.705	-0.830	39.309	-0.150	-0.150	0.000	0.000	0.000	0.000
228	A	303	TRP	0	-0.061	-0.022	42.624	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	304	LYS	1	0.816	0.902	44.890	0.100	0.100	0.000	0.000	0.000	0.000
230	A	305	ARG	1	0.727	0.833	40.451	0.148	0.148	0.000	0.000	0.000	0.000
231	A	306	GLU	-1	-0.833	-0.928	41.810	-0.144	-0.144	0.000	0.000	0.000	0.000
232	A	307	ASN	0	-0.085	-0.067	37.588	0.000	0.000	0.000	0.000	0.000	0.000
233	A	308	ASP	-1	-0.803	-0.903	33.690	-0.211	-0.211	0.000	0.000	0.000	0.000
234	A	309	ASN	0	-0.076	-0.051	33.475	-0.008	-0.008	0.000	0.000	0.000	0.000
235	A	310	GLU	-1	-0.648	-0.820	34.557	-0.159	-0.159	0.000	0.000	0.000	0.000
236	A	311	ASP	-1	-0.898	-0.949	30.917	-0.241	-0.241	0.000	0.000	0.000	0.000
237	A	312	ILE	0	0.027	0.012	33.208	0.011	0.011	0.000	0.000	0.000	0.000
238	A	313	ILE	0	-0.037	-0.002	35.081	0.015	0.015	0.000	0.000	0.000	0.000
239	A	314	VAL	0	0.061	0.017	35.131	0.011	0.011	0.000	0.000	0.000	0.000
240	A	315	HIS	1	0.784	0.877	30.917	0.210	0.210	0.000	0.000	0.000	0.000
241	A	316	ILE	0	0.007	0.011	36.145	0.010	0.010	0.000	0.000	0.000	0.000
242	A	317	TYR	0	0.011	-0.008	39.149	0.009	0.009	0.000	0.000	0.000	0.000
243	A	318	MET	0	0.026	0.006	36.184	0.006	0.006	0.000	0.000	0.000	0.000
244	A	319	LEU	0	-0.048	0.002	38.675	0.008	0.008	0.000	0.000	0.000	0.000
245	A	320	PHE	0	-0.039	-0.016	40.233	0.008	0.008	0.000	0.000	0.000	0.000
246	A	321	VAL	0	0.045	0.031	42.623	0.006	0.006	0.000	0.000	0.000	0.000
247	A	322	SER	0	-0.006	-0.021	40.143	0.005	0.005	0.000	0.000	0.000	0.000
248	A	323	SER	0	-0.095	-0.071	42.455	0.008	0.008	0.000	0.000	0.000	0.000
249	A	324	VAL	0	-0.017	-0.011	44.200	0.007	0.007	0.000	0.000	0.000	0.000
250	A	325	GLU	-1	-0.865	-0.955	44.440	-0.084	-0.084	0.000	0.000	0.000	0.000
251	A	326	ARG	1	0.703	0.846	43.791	0.055	0.055	0.000	0.000	0.000	0.000
252	A	327	HIS	0	-0.046	-0.017	45.853	0.008	0.008	0.000	0.000	0.000	0.000
253	A	328	SER	0	0.045	0.006	49.547	0.003	0.003	0.000	0.000	0.000	0.000
254	A	329	THR	0	0.026	0.001	51.881	0.001	0.001	0.000	0.000	0.000	0.000
255	A	330	LEU	0	-0.040	-0.003	51.331	0.003	0.003	0.000	0.000	0.000	0.000
256	A	331	LEU	0	0.022	0.018	51.947	0.001	0.001	0.000	0.000	0.000	0.000
257	A	332	LEU	0	0.078	0.036	54.764	0.001	0.001	0.000	0.000	0.000	0.000
258	A	333	SER	0	-0.036	-0.036	57.400	0.002	0.002	0.000	0.000	0.000	0.000
259	A	334	GLY	0	0.006	-0.013	57.720	0.002	0.002	0.000	0.000	0.000	0.000
260	A	335	ILE	0	-0.019	0.009	57.364	0.000	0.000	0.000	0.000	0.000	0.000
261	A	336	THR	0	0.019	0.013	60.522	0.002	0.002	0.000	0.000	0.000	0.000
262	A	337	SER	0	-0.039	-0.014	61.762	0.002	0.002	0.000	0.000	0.000	0.000
263	A	338	ALA	0	0.016	-0.004	63.726	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	339	ASP	-1	-0.882	-0.938	59.851	-0.036	-0.036	0.000	0.000	0.000	0.000
265	A	340	PRO	0	0.020	0.009	61.206	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	341	GLU	-1	-0.829	-0.910	55.712	-0.049	-0.049	0.000	0.000	0.000	0.000
267	A	342	LEU	0	-0.029	-0.017	55.431	-0.003	-0.003	0.000	0.000	0.000	0.000
268	A	343	SER	0	0.028	0.005	56.684	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	344	ILE	0	-0.038	-0.024	55.644	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	345	LEU	0	-0.034	-0.006	50.772	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	346	VAL	0	0.035	0.030	53.075	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	347	HIS	1	0.840	0.908	54.275	0.050	0.050	0.000	0.000	0.000	0.000
273	A	348	ARG	1	0.831	0.899	50.762	0.062	0.062	0.000	0.000	0.000	0.000
274	A	349	ILE	0	0.037	0.027	49.134	-0.004	-0.004	0.000	0.000	0.000	0.000
275	A	350	VAL	0	0.018	0.009	50.064	-0.004	-0.004	0.000	0.000	0.000	0.000
276	A	351	GLN	0	0.020	0.006	52.081	-0.005	-0.005	0.000	0.000	0.000	0.000
277	A	352	GLU	-1	-0.790	-0.846	46.590	-0.099	-0.099	0.000	0.000	0.000	0.000
278	A	353	ILE	0	0.050	0.028	46.791	-0.006	-0.006	0.000	0.000	0.000	0.000
279	A	354	LEU	0	-0.002	0.012	48.346	-0.003	-0.003	0.000	0.000	0.000	0.000
280	A	355	HIS	1	0.831	0.911	47.726	0.088	0.088	0.000	0.000	0.000	0.000
281	A	356	CYS	0	-0.019	0.008	43.817	-0.005	-0.005	0.000	0.000	0.000	0.000
282	A	357	THR	0	-0.025	-0.016	45.128	-0.005	-0.005	0.000	0.000	0.000	0.000
283	A	358	ASP	-1	-0.818	-0.921	47.637	-0.099	-0.099	0.000	0.000	0.000	0.000
284	A	359	LYS	1	0.848	0.922	39.979	0.161	0.161	0.000	0.000	0.000	0.000
285	A	360	PRO	0	-0.046	-0.010	45.642	0.002	0.002	0.000	0.000	0.000	0.000
286	A	361	GLY	0	0.095	0.048	43.755	-0.005	-0.005	0.000	0.000	0.000	0.000
287	A	362	ILE	0	-0.068	-0.040	43.666	0.007	0.007	0.000	0.000	0.000	0.000
288	A	363	TYR	0	0.000	0.040	39.037	-0.010	-0.010	0.000	0.000	0.000	0.000
289	A	364	PRO	0	0.003	-0.023	36.893	0.005	0.005	0.000	0.000	0.000	0.000
290	A	365	VAL	0	-0.014	-0.011	37.378	-0.007	-0.007	0.000	0.000	0.000	0.000
291	A	366	GLU	-1	-0.830	-0.894	37.837	-0.168	-0.168	0.000	0.000	0.000	0.000
292	A	367	GLU	-1	-0.767	-0.837	39.644	-0.138	-0.138	0.000	0.000	0.000	0.000
293	A	368	SER	0	-0.013	-0.020	36.822	-0.007	-0.007	0.000	0.000	0.000	0.000
294	A	369	CYS	0	-0.069	-0.037	38.821	0.003	0.003	0.000	0.000	0.000	0.000
295	A	370	SER	0	-0.029	-0.026	40.986	0.007	0.007	0.000	0.000	0.000	0.000
296	A	371	THR	0	0.012	0.005	39.558	0.009	0.009	0.000	0.000	0.000	0.000
297	A	372	MET	0	-0.008	-0.001	37.579	0.006	0.006	0.000	0.000	0.000	0.000
298	A	373	ALA	0	-0.008	-0.006	42.565	0.006	0.006	0.000	0.000	0.000	0.000
299	A	374	LEU	0	-0.001	0.001	45.867	0.007	0.007	0.000	0.000	0.000	0.000
300	A	375	ALA	0	0.016	0.022	44.733	0.005	0.005	0.000	0.000	0.000	0.000
301	A	376	PHE	0	0.053	0.022	46.813	0.007	0.007	0.000	0.000	0.000	0.000
302	A	377	TRP	0	-0.026	-0.033	48.673	0.008	0.008	0.000	0.000	0.000	0.000
303	A	378	TYR	0	0.016	0.035	49.392	0.005	0.005	0.000	0.000	0.000	0.000
304	A	379	MET	0	-0.005	-0.001	46.800	0.005	0.005	0.000	0.000	0.000	0.000
305	A	380	LEU	0	-0.017	-0.007	51.595	0.004	0.004	0.000	0.000	0.000	0.000
306	A	381	GLN	0	-0.030	-0.034	54.227	0.006	0.006	0.000	0.000	0.000	0.000
307	A	382	ASP	-1	-0.903	-0.939	54.251	-0.052	-0.052	0.000	0.000	0.000	0.000
308	A	383	GLU	-1	-0.831	-0.895	53.095	-0.053	-0.053	0.000	0.000	0.000	0.000
309	A	384	VAL	0	-0.050	-0.037	56.640	0.003	0.003	0.000	0.000	0.000	0.000
310	A	385	PHE	0	-0.023	-0.007	59.544	0.003	0.003	0.000	0.000	0.000	0.000
311	A	386	ALA	0	-0.033	-0.008	58.149	0.003	0.003	0.000	0.000	0.000	0.000
312	A	387	MET	0	-0.065	-0.028	60.154	0.002	0.002	0.000	0.000	0.000	0.000
313	A	388	SER	0	-0.032	-0.028	61.927	0.002	0.002	0.000	0.000	0.000	0.000
314	A	389	ASN	0	-0.051	-0.028	65.158	0.001	0.001	0.000	0.000	0.000	0.000
315	A	390	ASP	-1	-0.861	-0.929	68.132	-0.030	-0.030	0.000	0.000	0.000	0.000
316	A	391	GLU	-1	-0.889	-0.943	68.797	-0.028	-0.028	0.000	0.000	0.000	0.000
317	A	392	GLN	0	-0.030	-0.030	65.170	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	393	LYS	1	0.908	0.968	65.195	0.034	0.034	0.000	0.000	0.000	0.000
319	A	394	HIS	0	-0.063	-0.020	66.007	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	395	LYS	1	0.874	0.923	64.502	0.038	0.038	0.000	0.000	0.000	0.000
321	A	396	CYS	0	-0.072	-0.031	62.076	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	397	TRP	0	0.057	0.019	62.158	-0.003	-0.003	0.000	0.000	0.000	0.000
323	A	398	GLU	-1	-0.892	-0.949	64.806	-0.041	-0.041	0.000	0.000	0.000	0.000
324	A	399	TYR	0	-0.040	-0.010	56.989	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	400	ILE	0	0.017	-0.006	58.814	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	401	LYS	1	0.914	0.961	60.625	0.046	0.046	0.000	0.000	0.000	0.000
327	A	402	PRO	0	-0.009	-0.010	62.503	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	403	LEU	0	-0.039	-0.003	55.502	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	404	TYR	0	0.046	-0.022	54.576	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	405	ALA	0	0.014	0.015	58.717	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	406	HIS	0	-0.037	-0.015	55.399	0.000	0.000	0.000	0.000	0.000	0.000
332	A	407	LEU	0	0.006	0.006	52.090	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	408	THR	0	0.008	-0.007	54.992	-0.003	-0.003	0.000	0.000	0.000	0.000
334	A	409	ARG	1	0.846	0.867	56.682	0.070	0.070	0.000	0.000	0.000	0.000
335	A	410	ILE	0	-0.056	-0.016	50.995	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	411	LEU	0	0.022	0.008	51.043	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	412	VAL	0	0.035	0.017	52.670	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	413	ARG	1	0.790	0.890	48.700	0.104	0.104	0.000	0.000	0.000	0.000
339	A	414	LYS	1	0.747	0.862	44.995	0.123	0.123	0.000	0.000	0.000	0.000
340	A	415	SER	0	-0.019	-0.012	48.616	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	416	GLU	-1	-0.926	-0.975	50.807	-0.101	-0.101	0.000	0.000	0.000	0.000
342	A	417	GLN	0	-0.009	0.000	48.144	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	418	PRO	0	0.019	0.008	44.395	0.003	0.003	0.000	0.000	0.000	0.000
344	A	419	ASP	-1	-0.761	-0.866	47.264	-0.126	-0.126	0.000	0.000	0.000	0.000
345	A	420	GLU	-1	-0.890	-0.935	47.931	-0.122	-0.122	0.000	0.000	0.000	0.000
346	A	421	LYS	1	0.779	0.867	47.428	0.121	0.121	0.000	0.000	0.000	0.000
347	A	422	SER	0	-0.003	-0.025	44.823	-0.008	-0.008	0.000	0.000	0.000	0.000
348	A	423	LEU	0	0.017	0.003	43.283	-0.006	-0.006	0.000	0.000	0.000	0.000
349	A	424	ALA	0	-0.038	-0.017	42.359	-0.006	-0.006	0.000	0.000	0.000	0.000
350	A	425	LYS	1	0.783	0.886	39.253	0.161	0.161	0.000	0.000	0.000	0.000
351	A	426	TRP	0	-0.025	-0.001	37.918	-0.010	-0.010	0.000	0.000	0.000	0.000
352	A	427	SER	0	-0.010	-0.022	34.690	0.001	0.001	0.000	0.000	0.000	0.000
353	A	428	SER	0	-0.047	-0.044	37.018	0.015	0.015	0.000	0.000	0.000	0.000
354	A	429	ASP	-1	-0.872	-0.918	33.931	-0.234	-0.234	0.000	0.000	0.000	0.000
355	A	430	ASP	-1	-0.804	-0.897	36.113	-0.217	-0.217	0.000	0.000	0.000	0.000
356	A	431	LEU	0	-0.020	-0.011	38.245	0.012	0.012	0.000	0.000	0.000	0.000
357	A	432	GLU	-1	-0.907	-0.963	39.640	-0.136	-0.136	0.000	0.000	0.000	0.000
358	A	433	CYS	0	-0.044	-0.011	37.382	0.010	0.010	0.000	0.000	0.000	0.000
359	A	434	PHE	0	0.021	0.002	40.065	0.009	0.009	0.000	0.000	0.000	0.000
360	A	435	ARG	1	0.911	0.972	43.234	0.126	0.126	0.000	0.000	0.000	0.000
361	A	436	CYS	0	-0.058	-0.037	42.141	0.007	0.007	0.000	0.000	0.000	0.000
362	A	437	TYR	0	0.029	0.002	43.141	0.008	0.008	0.000	0.000	0.000	0.000
363	A	438	ARG	1	0.684	0.811	44.958	0.112	0.112	0.000	0.000	0.000	0.000
364	A	439	GLN	0	-0.043	-0.011	47.386	0.005	0.005	0.000	0.000	0.000	0.000
365	A	440	ASP	-1	-0.865	-0.939	44.307	-0.114	-0.114	0.000	0.000	0.000	0.000
366	A	441	ILE	0	-0.033	-0.011	47.929	0.006	0.006	0.000	0.000	0.000	0.000
367	A	442	SER	0	-0.029	-0.022	50.412	0.003	0.003	0.000	0.000	0.000	0.000
368	A	443	ASP	-1	-0.824	-0.883	50.483	-0.080	-0.080	0.000	0.000	0.000	0.000
369	A	444	THR	0	-0.034	-0.038	50.379	0.004	0.004	0.000	0.000	0.000	0.000
370	A	445	PHE	0	0.017	-0.008	53.007	0.003	0.003	0.000	0.000	0.000	0.000
371	A	446	MET	0	0.009	0.029	56.013	0.004	0.004	0.000	0.000	0.000	0.000
372	A	447	TYR	0	-0.038	-0.044	51.503	0.004	0.004	0.000	0.000	0.000	0.000
373	A	448	CYS	0	-0.083	-0.045	55.845	0.002	0.002	0.000	0.000	0.000	0.000
374	A	449	TYR	0	-0.006	-0.004	58.579	0.002	0.002	0.000	0.000	0.000	0.000
375	A	450	ASP	-1	-0.814	-0.897	58.754	-0.057	-0.057	0.000	0.000	0.000	0.000
376	A	451	VAL	0	-0.038	-0.010	58.995	0.003	0.003	0.000	0.000	0.000	0.000
377	A	452	LEU	0	-0.089	-0.042	61.026	0.003	0.003	0.000	0.000	0.000	0.000
378	A	453	ASN	0	-0.038	-0.014	64.395	0.001	0.001	0.000	0.000	0.000	0.000
379	A	454	ASP	-1	-0.794	-0.920	65.666	-0.050	-0.050	0.000	0.000	0.000	0.000
380	A	455	TYR	0	-0.070	-0.025	65.513	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	456	ILE	0	0.024	0.014	59.530	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	457	LEU	0	0.032	0.018	63.740	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	458	GLU	-1	-0.893	-0.930	65.782	-0.053	-0.053	0.000	0.000	0.000	0.000
384	A	459	ILE	0	-0.052	-0.013	61.516	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	460	LEU	0	0.035	0.015	59.268	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	461	ALA	0	-0.036	-0.008	62.781	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	462	ALA	0	0.000	-0.004	65.127	0.000	0.000	0.000	0.000	0.000	0.000
388	A	463	MET	0	-0.015	0.010	57.326	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	464	LEU	0	0.018	0.007	62.148	-0.002	-0.002	0.000	0.000	0.000	0.000
390	A	465	ASP	-1	-0.801	-0.870	63.623	-0.061	-0.061	0.000	0.000	0.000	0.000
391	A	466	GLU	-1	-0.823	-0.879	61.787	-0.072	-0.072	0.000	0.000	0.000	0.000
392	A	467	ALA	0	-0.007	0.009	60.705	-0.002	-0.002	0.000	0.000	0.000	0.000
393	A	468	ILE	0	0.007	0.001	62.104	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	469	ALA	0	-0.041	-0.024	65.392	0.000	0.000	0.000	0.000	0.000	0.000
395	A	470	ASP	-1	-0.829	-0.909	59.831	-0.084	-0.084	0.000	0.000	0.000	0.000
396	A	471	LEU	0	0.050	0.035	62.282	0.000	0.000	0.000	0.000	0.000	0.000
397	A	472	GLN	0	-0.039	-0.027	63.575	0.001	0.001	0.000	0.000	0.000	0.000
398	A	473	ARG	1	0.778	0.888	63.933	0.069	0.069	0.000	0.000	0.000	0.000
399	A	474	HIS	0	-0.013	0.007	60.010	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	475	PRO	0	0.023	0.008	61.549	-0.002	-0.002	0.000	0.000	0.000	0.000
401	A	476	THR	0	-0.013	-0.009	56.787	0.002	0.002	0.000	0.000	0.000	0.000
402	A	477	HIS	0	0.016	0.008	56.740	-0.004	-0.004	0.000	0.000	0.000	0.000
403	A	478	TRP	0	0.006	-0.011	51.308	0.003	0.003	0.000	0.000	0.000	0.000
404	A	479	THR	0	0.004	0.013	51.775	0.003	0.003	0.000	0.000	0.000	0.000
405	A	480	LYS	1	0.918	0.954	54.863	0.084	0.084	0.000	0.000	0.000	0.000
406	A	481	LEU	0	0.001	0.007	57.159	0.002	0.002	0.000	0.000	0.000	0.000
407	A	482	GLU	-1	-0.785	-0.844	53.173	-0.099	-0.099	0.000	0.000	0.000	0.000
408	A	483	ALA	0	0.065	0.041	54.015	0.001	0.001	0.000	0.000	0.000	0.000
409	A	484	CYS	0	-0.039	-0.006	55.505	0.002	0.002	0.000	0.000	0.000	0.000
410	A	485	ILE	0	-0.011	0.001	59.097	0.002	0.002	0.000	0.000	0.000	0.000
411	A	486	TYR	0	0.069	0.016	51.678	0.000	0.000	0.000	0.000	0.000	0.000
412	A	487	SER	0	-0.045	-0.022	56.841	0.001	0.001	0.000	0.000	0.000	0.000
413	A	488	PHE	0	-0.012	-0.020	57.776	0.002	0.002	0.000	0.000	0.000	0.000
414	A	489	GLN	0	-0.024	-0.025	56.084	0.000	0.000	0.000	0.000	0.000	0.000
415	A	490	SER	0	-0.042	-0.011	55.438	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	491	VAL	0	-0.029	-0.023	57.357	0.000	0.000	0.000	0.000	0.000	0.000
417	A	492	ALA	0	0.031	0.023	60.562	0.003	0.003	0.000	0.000	0.000	0.000
418	A	493	GLU	-1	-0.948	-0.987	58.986	-0.065	-0.065	0.000	0.000	0.000	0.000
419	A	494	HIS	0	-0.063	-0.030	60.506	0.003	0.003	0.000	0.000	0.000	0.000
420	A	495	PHE	0	-0.024	-0.010	64.007	0.002	0.002	0.000	0.000	0.000	0.000
421	A	496	GLY	0	0.016	0.022	67.119	0.002	0.002	0.000	0.000	0.000	0.000
422	A	497	GLY	0	0.020	-0.002	68.992	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	498	GLU	-1	-0.836	-0.917	72.410	-0.044	-0.044	0.000	0.000	0.000	0.000
424	A	499	GLU	-1	-0.847	-0.920	73.389	-0.041	-0.041	0.000	0.000	0.000	0.000
425	A	500	LYN	0	0.021	0.020	67.619	0.000	0.000	0.000	0.000	0.000	0.000
426	A	501	ARG	1	0.745	0.861	71.441	0.041	0.041	0.000	0.000	0.000	0.000
427	A	502	GLN	0	-0.003	-0.029	68.660	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	503	ILE	0	0.041	0.036	66.352	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	504	PRO	0	-0.018	-0.006	69.635	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	505	ARG	1	0.747	0.845	67.982	0.058	0.058	0.000	0.000	0.000	0.000
431	A	506	LEU	0	0.026	0.033	64.027	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	507	MET	0	0.019	0.000	67.604	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	508	ARG	1	0.918	0.967	69.861	0.050	0.050	0.000	0.000	0.000	0.000
434	A	509	VAL	0	0.060	0.029	65.849	0.000	0.000	0.000	0.000	0.000	0.000
435	A	510	LEU	0	-0.021	-0.015	63.438	-0.002	-0.002	0.000	0.000	0.000	0.000
436	A	511	ALA	0	-0.025	-0.004	67.010	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	512	GLU	-1	-0.998	-0.988	69.381	-0.060	-0.060	0.000	0.000	0.000	0.000
438	A	513	ILE	0	0.000	0.007	63.090	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	514	PRO	0	-0.006	-0.019	64.946	0.000	0.000	0.000	0.000	0.000	0.000
440	A	515	TYR	0	-0.043	-0.040	61.845	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	516	GLU	-1	-0.818	-0.893	62.181	-0.074	-0.074	0.000	0.000	0.000	0.000
442	A	517	LYS	1	0.780	0.894	63.162	0.077	0.077	0.000	0.000	0.000	0.000
443	A	518	LEU	0	-0.020	-0.002	59.494	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	519	ASN	0	0.003	0.008	53.004	0.001	0.001	0.000	0.000	0.000	0.000
445	A	520	VAL	0	0.038	0.004	56.493	0.001	0.001	0.000	0.000	0.000	0.000
446	A	521	LYS	1	0.957	0.984	48.999	0.126	0.126	0.000	0.000	0.000	0.000
447	A	522	LEU	0	0.021	0.027	54.945	0.001	0.001	0.000	0.000	0.000	0.000
448	A	523	LEU	0	0.004	0.000	57.835	0.002	0.002	0.000	0.000	0.000	0.000
449	A	524	GLY	0	-0.021	-0.022	56.378	0.002	0.002	0.000	0.000	0.000	0.000
450	A	525	THR	0	0.048	-0.003	54.981	0.002	0.002	0.000	0.000	0.000	0.000
451	A	526	ALA	0	0.013	0.031	57.359	0.003	0.003	0.000	0.000	0.000	0.000
452	A	527	LEU	0	-0.072	-0.022	60.130	0.003	0.003	0.000	0.000	0.000	0.000
453	A	528	GLU	-1	-0.900	-0.953	54.824	-0.089	-0.089	0.000	0.000	0.000	0.000
454	A	529	THR	0	0.002	0.004	59.513	0.002	0.002	0.000	0.000	0.000	0.000
455	A	530	MET	0	-0.039	-0.013	61.378	0.003	0.003	0.000	0.000	0.000	0.000
456	A	531	GLY	0	-0.020	-0.035	62.715	0.002	0.002	0.000	0.000	0.000	0.000
457	A	532	SER	0	-0.033	-0.029	60.371	0.001	0.001	0.000	0.000	0.000	0.000
458	A	533	TYR	-1	-0.794	-0.900	62.597	-0.061	-0.061	0.000	0.000	0.000	0.000
459	A	534	CYS	0	-0.088	-0.017	66.106	0.002	0.002	0.000	0.000	0.000	0.000
460	A	535	ASN	0	0.014	-0.006	67.468	0.002	0.002	0.000	0.000	0.000	0.000
461	A	536	TRP	0	0.027	0.021	68.942	0.001	0.001	0.000	0.000	0.000	0.000
462	A	537	LEU	0	-0.031	-0.035	69.539	0.002	0.002	0.000	0.000	0.000	0.000
463	A	538	MET	0	-0.097	-0.033	72.025	0.002	0.002	0.000	0.000	0.000	0.000
464	A	539	GLU	-1	-0.880	-0.937	73.608	-0.040	-0.040	0.000	0.000	0.000	0.000
465	A	540	ASN	0	-0.079	-0.036	74.626	0.002	0.002	0.000	0.000	0.000	0.000
466	A	541	PRO	0	0.037	0.008	75.960	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	542	ALA	0	-0.047	-0.029	77.950	0.000	0.000	0.000	0.000	0.000	0.000
468	A	543	TYR	0	0.001	-0.002	73.556	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	544	ILE	0	0.040	0.034	73.590	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	545	PRO	0	-0.013	-0.015	73.650	-0.002	-0.002	0.000	0.000	0.000	0.000
471	A	546	PRO	0	-0.015	-0.022	72.548	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	547	ALA	0	0.089	0.056	69.592	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	548	ILE	0	-0.001	0.004	69.241	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	549	ASN	0	-0.019	-0.014	70.319	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	550	LEU	0	0.005	0.017	64.841	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	551	LEU	0	0.035	0.011	64.542	-0.003	-0.003	0.000	0.000	0.000	0.000
477	A	552	VAL	0	-0.002	-0.001	66.046	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	553	ARG	1	0.854	0.916	66.391	0.066	0.066	0.000	0.000	0.000	0.000
479	A	554	GLY	0	0.050	0.012	62.862	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	555	LEU	0	-0.043	-0.016	62.294	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	556	ASN	0	-0.031	-0.023	63.437	-0.002	-0.002	0.000	0.000	0.000	0.000
482	A	557	SER	0	-0.009	0.002	60.725	-0.003	-0.003	0.000	0.000	0.000	0.000
483	A	558	SER	0	0.000	-0.022	55.869	0.001	0.001	0.000	0.000	0.000	0.000
484	A	559	MET	0	-0.030	-0.001	53.683	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	560	SER	0	0.018	-0.003	57.857	0.001	0.001	0.000	0.000	0.000	0.000
486	A	561	ALA	0	-0.056	-0.008	55.793	0.003	0.003	0.000	0.000	0.000	0.000
487	A	562	GLN	0	0.100	0.047	54.077	0.004	0.004	0.000	0.000	0.000	0.000
488	A	563	ALA	0	-0.005	0.022	58.463	0.003	0.003	0.000	0.000	0.000	0.000
489	A	564	THR	0	-0.051	-0.052	60.693	0.003	0.003	0.000	0.000	0.000	0.000
490	A	565	LEU	0	-0.046	-0.024	56.238	0.003	0.003	0.000	0.000	0.000	0.000
491	A	566	GLY	0	0.081	0.045	60.746	0.002	0.002	0.000	0.000	0.000	0.000
492	A	567	LEU	0	0.000	-0.005	63.196	0.003	0.003	0.000	0.000	0.000	0.000
493	A	568	LYS	1	0.874	0.941	61.849	0.064	0.064	0.000	0.000	0.000	0.000
494	A	569	GLU	-1	-0.801	-0.889	62.091	-0.059	-0.059	0.000	0.000	0.000	0.000
495	A	570	LEU	0	0.010	0.003	65.167	0.002	0.002	0.000	0.000	0.000	0.000
496	A	571	CYS	0	-0.035	-0.018	67.908	0.002	0.002	0.000	0.000	0.000	0.000
497	A	572	ARG	1	0.756	0.871	61.066	0.061	0.061	0.000	0.000	0.000	0.000
498	A	573	ASP	-1	-0.809	-0.904	68.479	-0.048	-0.048	0.000	0.000	0.000	0.000
499	A	574	CYS	0	-0.014	0.003	70.920	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	575	GLN	0	0.020	0.005	73.123	0.001	0.001	0.000	0.000	0.000	0.000
501	A	576	LEU	0	0.006	0.008	74.681	0.000	0.000	0.000	0.000	0.000	0.000
502	A	577	GLN	0	0.003	-0.017	76.323	0.001	0.001	0.000	0.000	0.000	0.000
503	A	578	LEU	0	-0.003	0.002	72.770	0.000	0.000	0.000	0.000	0.000	0.000
504	A	579	LYS	1	0.882	0.929	76.941	0.035	0.035	0.000	0.000	0.000	0.000
505	A	580	PRO	0	-0.049	-0.030	79.904	0.000	0.000	0.000	0.000	0.000	0.000
506	A	581	TYR	0	-0.006	-0.001	77.064	0.000	0.000	0.000	0.000	0.000	0.000
507	A	582	ALA	0	0.032	0.022	77.045	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	583	ASP	-1	-0.705	-0.825	76.992	-0.043	-0.043	0.000	0.000	0.000	0.000
509	A	584	PRO	0	-0.015	-0.003	77.823	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	585	LEU	0	0.059	0.038	70.754	-0.002	-0.002	0.000	0.000	0.000	0.000
511	A	586	LEU	0	0.022	0.009	73.138	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	587	ASN	0	-0.050	-0.039	73.942	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	588	ALA	0	0.024	0.023	71.773	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	589	CYS	0	-0.042	-0.013	69.431	-0.003	-0.003	0.000	0.000	0.000	0.000
515	A	590	HIS	0	0.041	0.019	69.572	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	591	ALA	0	0.004	0.011	71.129	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	592	SER	0	-0.027	-0.031	66.292	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	593	LEU	0	-0.046	-0.029	65.523	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	594	ASN	0	-0.073	-0.038	67.227	0.000	0.000	0.000	0.000	0.000	0.000
520	A	595	THR	0	-0.025	-0.001	64.663	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	596	GLY	0	0.001	-0.008	63.983	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	597	ARG	1	0.802	0.910	59.004	0.079	0.079	0.000	0.000	0.000	0.000
523	A	598	MET	0	-0.025	-0.002	59.463	-0.003	-0.003	0.000	0.000	0.000	0.000
524	A	599	LYS	1	0.926	0.956	54.109	0.093	0.093	0.000	0.000	0.000	0.000
525	A	600	ASN	0	0.052	0.020	56.864	0.003	0.003	0.000	0.000	0.000	0.000
526	A	601	SER	0	0.036	-0.006	54.172	0.003	0.003	0.000	0.000	0.000	0.000
527	A	602	ASP	-1	-0.732	-0.827	57.402	-0.084	-0.084	0.000	0.000	0.000	0.000
528	A	603	SER	0	0.038	0.010	59.739	0.003	0.003	0.000	0.000	0.000	0.000
529	A	604	VAL	0	-0.041	-0.021	59.764	0.003	0.003	0.000	0.000	0.000	0.000
530	A	605	ARG	1	0.834	0.913	55.692	0.083	0.083	0.000	0.000	0.000	0.000
531	A	606	LEU	0	0.048	0.015	61.871	0.002	0.002	0.000	0.000	0.000	0.000
532	A	607	MET	0	-0.001	0.006	64.995	0.002	0.002	0.000	0.000	0.000	0.000
533	A	608	PHE	0	0.049	0.031	64.601	0.002	0.002	0.000	0.000	0.000	0.000
534	A	609	SER	0	0.036	0.022	66.066	0.002	0.002	0.000	0.000	0.000	0.000
535	A	610	ILE	0	0.023	0.015	68.304	0.002	0.002	0.000	0.000	0.000	0.000
536	A	611	GLY	0	0.039	0.018	70.050	0.002	0.002	0.000	0.000	0.000	0.000
537	A	612	LYS	1	0.845	0.929	69.912	0.049	0.049	0.000	0.000	0.000	0.000
538	A	613	LEU	0	-0.005	0.008	71.996	0.001	0.001	0.000	0.000	0.000	0.000
539	A	614	MET	0	-0.022	-0.032	74.353	0.001	0.001	0.000	0.000	0.000	0.000
540	A	615	SER	0	-0.064	-0.041	74.438	0.001	0.001	0.000	0.000	0.000	0.000
541	A	616	LEU	0	-0.010	0.015	77.006	0.001	0.001	0.000	0.000	0.000	0.000
542	A	617	LEU	0	-0.024	-0.001	78.764	0.000	0.000	0.000	0.000	0.000	0.000
543	A	618	ARG	1	0.835	0.892	81.495	0.034	0.034	0.000	0.000	0.000	0.000
544	A	619	PRO	0	0.015	0.009	84.393	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	620	GLU	-1	-0.805	-0.905	85.915	-0.032	-0.032	0.000	0.000	0.000	0.000
546	A	621	GLU	-1	-0.895	-0.936	84.049	-0.037	-0.037	0.000	0.000	0.000	0.000
547	A	622	ILE	0	0.008	0.010	78.513	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	623	PRO	0	0.000	-0.013	80.203	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	624	LYS	1	0.774	0.878	80.956	0.039	0.039	0.000	0.000	0.000	0.000
550	A	625	TYR	0	0.006	-0.034	76.326	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	626	LEU	0	-0.013	-0.011	76.203	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	627	ASP	-1	-0.882	-0.893	76.581	-0.042	-0.042	0.000	0.000	0.000	0.000
553	A	628	ILE	0	0.001	-0.013	75.544	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	629	ILE	0	-0.012	-0.007	71.564	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	630	VAL	0	-0.028	-0.013	71.435	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	631	SER	0	-0.009	-0.017	72.371	0.000	0.000	0.000	0.000	0.000	0.000
557	A	632	PRO	0	0.087	0.051	70.892	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	633	CYS	0	-0.072	-0.028	68.193	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	634	PHE	0	0.056	0.003	68.655	-0.001	-0.001	0.000	0.000	0.000	0.000
560	A	635	GLU	-1	-0.922	-0.951	71.238	-0.047	-0.047	0.000	0.000	0.000	0.000
561	A	636	GLU	-1	-0.772	-0.846	64.461	-0.063	-0.063	0.000	0.000	0.000	0.000
562	A	637	LEU	0	-0.003	0.002	65.063	0.000	0.000	0.000	0.000	0.000	0.000
563	A	638	GLN	0	-0.035	-0.031	68.007	0.002	0.002	0.000	0.000	0.000	0.000
564	A	639	ALA	0	-0.001	0.003	69.114	0.001	0.001	0.000	0.000	0.000	0.000
565	A	640	ILE	0	-0.042	-0.025	63.503	0.000	0.000	0.000	0.000	0.000	0.000
566	A	641	CYS	0	-0.047	-0.034	66.853	0.001	0.001	0.000	0.000	0.000	0.000
567	A	642	GLN	0	-0.022	-0.009	69.052	0.001	0.001	0.000	0.000	0.000	0.000
568	A	643	ALA	0	-0.031	-0.006	66.523	0.000	0.000	0.000	0.000	0.000	0.000
569	A	644	ASP	-1	-0.899	-0.922	65.581	-0.049	-0.049	0.000	0.000	0.000	0.000
570	A	645	SER	0	-0.042	-0.045	62.899	-0.002	-0.002	0.000	0.000	0.000	0.000
571	A	646	LYS	1	0.856	0.895	59.252	0.052	0.052	0.000	0.000	0.000	0.000
572	A	647	THR	0	-0.029	-0.013	57.495	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	648	PRO	0	0.044	0.000	53.162	0.001	0.001	0.000	0.000	0.000	0.000
574	A	649	ALA	0	0.014	0.010	55.404	0.000	0.000	0.000	0.000	0.000	0.000
575	A	650	ALA	0	0.055	0.032	57.574	0.001	0.001	0.000	0.000	0.000	0.000
576	A	651	ARG	1	0.811	0.892	54.209	0.072	0.072	0.000	0.000	0.000	0.000
577	A	652	ILE	0	-0.013	-0.007	53.052	0.001	0.001	0.000	0.000	0.000	0.000
578	A	653	ARG	1	0.859	0.918	57.228	0.070	0.070	0.000	0.000	0.000	0.000
579	A	654	THR	0	0.023	-0.002	60.877	0.002	0.002	0.000	0.000	0.000	0.000
580	A	655	ILE	0	0.002	-0.001	55.990	0.002	0.002	0.000	0.000	0.000	0.000
581	A	656	PHE	0	-0.039	-0.016	59.247	0.000	0.000	0.000	0.000	0.000	0.000
582	A	657	ARG	1	0.857	0.898	60.451	0.061	0.061	0.000	0.000	0.000	0.000
583	A	658	LEU	0	0.025	0.020	61.993	0.002	0.002	0.000	0.000	0.000	0.000
584	A	659	ASN	0	0.005	0.015	57.430	0.003	0.003	0.000	0.000	0.000	0.000
585	A	660	MET	0	-0.008	0.003	61.795	0.000	0.000	0.000	0.000	0.000	0.000
586	A	661	ILE	0	-0.003	0.010	64.607	0.001	0.001	0.000	0.000	0.000	0.000
587	A	662	SER	0	-0.037	-0.029	63.280	0.001	0.001	0.000	0.000	0.000	0.000
588	A	663	THR	0	-0.047	-0.041	62.650	0.001	0.001	0.000	0.000	0.000	0.000
589	A	664	LEU	0	-0.006	0.013	64.957	0.001	0.001	0.000	0.000	0.000	0.000
590	A	665	PHE	0	-0.024	-0.041	68.467	0.002	0.002	0.000	0.000	0.000	0.000
591	A	666	SER	0	-0.038	-0.024	65.241	0.001	0.001	0.000	0.000	0.000	0.000
592	A	667	SER	0	-0.078	-0.054	67.608	0.001	0.001	0.000	0.000	0.000	0.000
593	A	668	LEU	0	-0.029	-0.003	69.898	0.001	0.001	0.000	0.000	0.000	0.000
594	A	669	ASN	0	0.002	0.009	73.295	0.002	0.002	0.000	0.000	0.000	0.000
595	A	670	THR	0	-0.018	-0.030	75.416	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	671	ASP	-1	-0.996	-0.965	78.480	-0.033	-0.033	0.000	0.000	0.000	0.000
597	A	672	VAL	0	0.003	-0.013	77.391	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	673	ASP	-1	-0.881	-0.942	79.733	-0.035	-0.035	0.000	0.000	0.000	0.000
599	A	674	GLU	-1	-0.910	-0.936	81.800	-0.028	-0.028	0.000	0.000	0.000	0.000
600	A	675	GLN	0	-0.062	-0.052	84.044	0.000	0.000	0.000	0.000	0.000	0.000
601	A	676	ALA	0	0.005	-0.002	86.420	0.000	0.000	0.000	0.000	0.000	0.000
602	A	677	THR	0	0.006	0.002	88.986	0.000	0.000	0.000	0.000	0.000	0.000
603	A	678	ASP	-1	-0.895	-0.950	85.727	-0.033	-0.033	0.000	0.000	0.000	0.000
604	A	679	GLN	0	0.027	0.028	82.532	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	680	PRO	0	-0.020	-0.010	82.407	0.001	0.001	0.000	0.000	0.000	0.000
606	A	681	ILE	0	0.012	0.015	84.274	0.000	0.000	0.000	0.000	0.000	0.000
607	A	682	VAL	0	-0.037	-0.014	82.913	0.000	0.000	0.000	0.000	0.000	0.000
608	A	683	GLN	0	0.059	0.021	77.824	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	684	PRO	0	0.049	0.021	77.239	0.000	0.000	0.000	0.000	0.000	0.000
610	A	685	VAL	0	0.034	0.020	72.805	0.000	0.000	0.000	0.000	0.000	0.000
611	A	686	LEU	0	-0.007	0.008	75.579	0.000	0.000	0.000	0.000	0.000	0.000
612	A	687	LEU	0	0.039	0.023	77.832	0.000	0.000	0.000	0.000	0.000	0.000
613	A	688	VAL	0	0.004	-0.002	73.797	0.000	0.000	0.000	0.000	0.000	0.000
614	A	689	MET	0	-0.016	0.001	71.959	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	690	GLN	0	-0.030	-0.026	75.448	0.000	0.000	0.000	0.000	0.000	0.000
616	A	691	ARG	1	0.846	0.929	77.340	0.041	0.041	0.000	0.000	0.000	0.000
617	A	692	THR	0	-0.028	-0.038	73.317	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	693	MET	0	0.048	0.054	72.068	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	694	PRO	0	0.020	-0.008	73.214	0.000	0.000	0.000	0.000	0.000	0.000
620	A	695	ILE	0	-0.043	-0.012	70.357	0.000	0.000	0.000	0.000	0.000	0.000
621	A	696	PHE	0	0.030	0.007	67.171	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	697	LYS	1	0.787	0.869	68.556	0.034	0.034	0.000	0.000	0.000	0.000
623	A	698	ARG	1	0.972	0.996	69.341	0.041	0.041	0.000	0.000	0.000	0.000
624	A	699	ILE	0	-0.018	-0.010	64.557	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	700	ALA	0	-0.023	-0.019	64.718	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	701	GLU	-1	-0.917	-0.969	64.685	-0.039	-0.039	0.000	0.000	0.000	0.000
627	A	702	MET	0	-0.042	0.010	64.151	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	703	TRP	0	0.016	0.006	58.539	-0.003	-0.003	0.000	0.000	0.000	0.000
629	A	704	VAL	0	0.053	0.055	60.484	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	705	GLU	-1	-0.819	-0.899	57.362	-0.050	-0.050	0.000	0.000	0.000	0.000
631	A	706	GLU	-1	-0.870	-0.927	55.694	-0.064	-0.064	0.000	0.000	0.000	0.000
632	A	707	ILE	0	0.044	0.005	52.325	0.001	0.001	0.000	0.000	0.000	0.000
633	A	708	ASP	-1	-0.794	-0.871	53.723	-0.070	-0.070	0.000	0.000	0.000	0.000
634	A	709	VAL	0	0.009	0.003	55.819	0.000	0.000	0.000	0.000	0.000	0.000
635	A	710	LEU	0	0.011	0.018	59.281	0.002	0.002	0.000	0.000	0.000	0.000
636	A	711	GLU	-1	-0.836	-0.930	56.718	-0.052	-0.052	0.000	0.000	0.000	0.000
637	A	712	ALA	0	0.016	0.017	59.047	0.001	0.001	0.000	0.000	0.000	0.000
638	A	713	ALA	0	0.018	0.004	60.560	0.001	0.001	0.000	0.000	0.000	0.000
639	A	714	CYS	0	-0.045	-0.027	62.067	0.002	0.002	0.000	0.000	0.000	0.000
640	A	715	SER	0	-0.002	0.000	60.757	0.002	0.002	0.000	0.000	0.000	0.000
641	A	716	ALA	0	0.029	0.010	62.861	0.001	0.001	0.000	0.000	0.000	0.000
642	A	717	MET	0	-0.012	0.005	66.145	0.002	0.002	0.000	0.000	0.000	0.000
643	A	718	LYS	1	0.808	0.895	59.975	0.052	0.052	0.000	0.000	0.000	0.000
644	A	719	HIS	0	0.030	0.031	61.697	0.002	0.002	0.000	0.000	0.000	0.000
645	A	720	ALA	0	0.034	0.023	66.721	0.001	0.001	0.000	0.000	0.000	0.000
646	A	721	ILE	0	-0.057	-0.029	68.891	0.001	0.001	0.000	0.000	0.000	0.000
647	A	722	THR	0	-0.061	-0.052	66.298	0.001	0.001	0.000	0.000	0.000	0.000
648	A	723	ASN	0	-0.064	-0.025	69.246	0.002	0.002	0.000	0.000	0.000	0.000
649	A	724	LEU	0	0.071	0.039	71.133	0.001	0.001	0.000	0.000	0.000	0.000
650	A	725	ARG	1	0.948	0.969	72.545	0.035	0.035	0.000	0.000	0.000	0.000
651	A	726	SER	0	-0.022	-0.019	74.457	0.001	0.001	0.000	0.000	0.000	0.000
652	A	727	SER	0	0.008	0.001	77.579	0.001	0.001	0.000	0.000	0.000	0.000
653	A	728	PHE	0	0.015	0.008	72.629	0.000	0.000	0.000	0.000	0.000	0.000
654	A	729	GLN	0	-0.028	-0.022	76.906	0.000	0.000	0.000	0.000	0.000	0.000
655	A	730	PRO	0	0.020	0.012	79.298	0.000	0.000	0.000	0.000	0.000	0.000
656	A	731	MET	0	0.004	0.014	75.052	0.000	0.000	0.000	0.000	0.000	0.000
657	A	732	LEU	0	0.014	0.008	75.208	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	733	GLN	0	0.028	0.017	75.667	0.001	0.001	0.000	0.000	0.000	0.000
659	A	734	ASP	-1	-0.773	-0.900	76.816	-0.032	-0.032	0.000	0.000	0.000	0.000
660	A	735	LEU	0	0.022	0.015	69.600	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	736	CYS	0	-0.054	-0.029	72.047	0.000	0.000	0.000	0.000	0.000	0.000
662	A	737	LEU	0	-0.009	0.002	72.953	0.000	0.000	0.000	0.000	0.000	0.000
663	A	738	PHE	0	-0.052	-0.025	66.342	0.000	0.000	0.000	0.000	0.000	0.000
664	A	739	ILE	0	0.009	0.004	67.587	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	740	VAL	0	0.025	-0.003	68.449	0.000	0.000	0.000	0.000	0.000	0.000
666	A	741	ALA	0	-0.045	-0.009	70.251	0.000	0.000	0.000	0.000	0.000	0.000
667	A	742	SER	0	0.007	0.011	64.464	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	743	PHE	0	-0.015	-0.018	63.962	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	744	GLN	0	-0.002	-0.001	66.193	0.001	0.001	0.000	0.000	0.000	0.000
670	A	745	THR	0	-0.060	-0.035	64.822	-0.002	-0.002	0.000	0.000	0.000	0.000
671	A	746	ARG	1	0.801	0.904	56.900	0.046	0.046	0.000	0.000	0.000	0.000
672	A	747	CYS	0	-0.012	0.003	60.636	0.002	0.002	0.000	0.000	0.000	0.000
673	A	748	CYS	0	0.009	0.013	58.473	-0.003	-0.003	0.000	0.000	0.000	0.000
674	A	749	ALA	0	0.102	0.052	55.872	0.001	0.001	0.000	0.000	0.000	0.000
675	A	750	PRO	0	0.068	0.021	57.412	0.002	0.002	0.000	0.000	0.000	0.000
676	A	751	THR	0	0.018	0.007	60.092	0.001	0.001	0.000	0.000	0.000	0.000
677	A	752	LEU	0	-0.041	-0.002	59.058	0.002	0.002	0.000	0.000	0.000	0.000
678	A	753	GLU	-1	-0.742	-0.864	58.807	-0.045	-0.045	0.000	0.000	0.000	0.000
679	A	754	ILE	0	-0.012	0.005	61.899	0.001	0.001	0.000	0.000	0.000	0.000
680	A	755	SER	0	0.004	-0.009	65.207	0.002	0.002	0.000	0.000	0.000	0.000
681	A	756	LYS	1	0.787	0.889	60.931	0.044	0.044	0.000	0.000	0.000	0.000
682	A	757	THR	0	-0.037	-0.042	63.909	0.001	0.001	0.000	0.000	0.000	0.000
683	A	758	ALA	0	0.037	0.029	66.641	0.001	0.001	0.000	0.000	0.000	0.000
684	A	759	ILE	0	0.024	-0.004	68.727	0.001	0.001	0.000	0.000	0.000	0.000
685	A	760	VAL	0	-0.073	-0.054	66.314	0.001	0.001	0.000	0.000	0.000	0.000
686	A	761	MET	0	-0.042	0.000	69.576	0.001	0.001	0.000	0.000	0.000	0.000
687	A	762	PHE	0	0.059	0.016	72.036	0.001	0.001	0.000	0.000	0.000	0.000
688	A	763	PHE	0	-0.048	-0.024	73.575	0.001	0.001	0.000	0.000	0.000	0.000
689	A	764	LYS	1	0.883	0.963	72.164	0.028	0.028	0.000	0.000	0.000	0.000
690	A	765	ASP	-1	-0.826	-0.918	77.452	-0.022	-0.022	0.000	0.000	0.000	0.000
691	A	766	GLU	-1	-0.845	-0.932	80.982	-0.025	-0.025	0.000	0.000	0.000	0.000
692	A	767	GLY	0	-0.003	0.010	83.207	0.000	0.000	0.000	0.000	0.000	0.000
693	A	768	CYS	0	-0.022	-0.007	78.108	0.000	0.000	0.000	0.000	0.000	0.000
694	A	769	LYS	1	0.790	0.896	77.753	0.021	0.021	0.000	0.000	0.000	0.000
695	A	770	PRO	0	0.056	0.017	77.739	0.000	0.000	0.000	0.000	0.000	0.000
696	A	771	LEU	0	0.021	0.024	77.603	0.000	0.000	0.000	0.000	0.000	0.000
697	A	772	MET	0	-0.002	0.006	73.647	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	773	GLN	0	-0.037	-0.034	73.414	0.000	0.000	0.000	0.000	0.000	0.000
699	A	774	GLN	0	-0.012	0.003	74.255	0.000	0.000	0.000	0.000	0.000	0.000
700	A	775	LEU	0	0.010	0.004	70.394	0.000	0.000	0.000	0.000	0.000	0.000
701	A	776	LEU	0	-0.001	-0.001	68.993	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	777	ARG	1	0.862	0.908	69.618	0.020	0.020	0.000	0.000	0.000	0.000
703	A	778	GLU	-1	-0.824	-0.914	70.551	-0.025	-0.025	0.000	0.000	0.000	0.000
704	A	779	PHE	0	-0.021	0.009	63.153	0.000	0.000	0.000	0.000	0.000	0.000
705	A	780	ILE	0	-0.021	-0.005	65.523	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	781	GLN	0	-0.041	-0.008	66.060	0.000	0.000	0.000	0.000	0.000	0.000
707	A	782	HIS	0	0.036	-0.007	65.447	0.000	0.000	0.000	0.000	0.000	0.000
708	A	783	SER	0	0.014	-0.007	61.880	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	784	PHE	0	-0.049	-0.039	61.687	0.000	0.000	0.000	0.000	0.000	0.000
710	A	785	LYS	1	0.859	0.938	62.569	0.026	0.026	0.000	0.000	0.000	0.000
711	A	786	LEU	0	0.030	0.038	57.249	0.000	0.000	0.000	0.000	0.000	0.000
712	A	787	PHE	0	0.015	0.007	57.163	0.000	0.000	0.000	0.000	0.000	0.000
713	A	788	GLU	-1	-0.821	-0.865	58.742	-0.017	-0.017	0.000	0.000	0.000	0.000
714	A	789	SER	0	-0.055	-0.023	56.299	0.001	0.001	0.000	0.000	0.000	0.000
715	A	790	THR	0	-0.043	-0.036	53.137	0.000	0.000	0.000	0.000	0.000	0.000
716	A	791	PRO	0	0.011	0.006	53.178	-0.003	-0.003	0.000	0.000	0.000	0.000
717	A	792	GLU	-1	-0.829	-0.919	49.097	-0.018	-0.018	0.000	0.000	0.000	0.000
718	A	793	GLN	0	-0.008	0.004	46.636	-0.005	-0.005	0.000	0.000	0.000	0.000
719	A	794	ASN	0	0.022	-0.009	49.642	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	795	PHE	0	-0.041	-0.021	45.733	-0.002	-0.002	0.000	0.000	0.000	0.000
721	A	796	SER	0	0.001	0.001	45.806	-0.002	-0.002	0.000	0.000	0.000	0.000
722	A	797	ASN	0	-0.066	-0.021	47.714	-0.002	-0.002	0.000	0.000	0.000	0.000
723	A	798	ILE	0	0.015	0.012	49.509	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	799	SER	0	-0.005	-0.018	47.760	0.001	0.001	0.000	0.000	0.000	0.000
725	A	800	ASP	-1	-0.790	-0.893	50.342	-0.050	-0.050	0.000	0.000	0.000	0.000
726	A	801	THR	0	-0.017	0.000	51.685	0.001	0.001	0.000	0.000	0.000	0.000
727	A	802	MET	0	-0.036	-0.007	53.683	0.002	0.002	0.000	0.000	0.000	0.000
728	A	803	GLU	-1	-0.907	-0.958	49.770	-0.051	-0.051	0.000	0.000	0.000	0.000
729	A	804	THR	0	-0.019	-0.008	53.824	0.001	0.001	0.000	0.000	0.000	0.000
730	A	805	PHE	0	0.007	0.012	56.426	0.002	0.002	0.000	0.000	0.000	0.000
731	A	806	PHE	0	0.047	0.007	56.228	0.002	0.002	0.000	0.000	0.000	0.000
732	A	807	GLY	0	0.035	0.030	57.202	0.001	0.001	0.000	0.000	0.000	0.000
733	A	808	CYS	0	-0.054	-0.034	57.943	0.001	0.001	0.000	0.000	0.000	0.000
734	A	809	LEU	0	0.002	-0.007	61.332	0.001	0.001	0.000	0.000	0.000	0.000
735	A	810	THR	0	-0.035	-0.032	59.244	0.002	0.002	0.000	0.000	0.000	0.000
736	A	811	GLN	0	0.005	0.007	61.073	0.000	0.000	0.000	0.000	0.000	0.000
737	A	812	ILE	0	0.018	0.009	63.145	0.001	0.001	0.000	0.000	0.000	0.000
738	A	813	ILE	0	0.005	0.012	64.712	0.001	0.001	0.000	0.000	0.000	0.000
739	A	814	LYS	1	0.816	0.902	64.179	0.025	0.025	0.000	0.000	0.000	0.000
740	A	815	LYS	1	0.955	0.985	65.839	0.035	0.035	0.000	0.000	0.000	0.000
741	A	816	ILE	0	-0.049	-0.019	68.705	0.000	0.000	0.000	0.000	0.000	0.000
742	A	817	PRO	0	0.039	0.017	71.233	0.001	0.001	0.000	0.000	0.000	0.000
743	A	818	GLN	0	0.039	0.016	72.323	0.000	0.000	0.000	0.000	0.000	0.000
744	A	819	VAL	0	0.028	0.021	69.735	0.001	0.001	0.000	0.000	0.000	0.000
745	A	820	LEU	0	-0.021	-0.012	68.574	0.000	0.000	0.000	0.000	0.000	0.000
746	A	821	GLU	-1	-0.835	-0.878	72.603	-0.012	-0.012	0.000	0.000	0.000	0.000
747	A	822	ASP	-1	-0.789	-0.861	74.323	-0.017	-0.017	0.000	0.000	0.000	0.000
748	A	823	LYS	1	0.823	0.885	74.723	0.013	0.013	0.000	0.000	0.000	0.000
749	A	824	THR	0	-0.030	-0.017	75.509	0.001	0.001	0.000	0.000	0.000	0.000
750	A	825	LEU	0	-0.034	-0.007	70.236	-0.001	-0.001	0.000	0.000	0.000	0.000
751	A	826	ALA	0	0.012	0.010	69.448	0.001	0.001	0.000	0.000	0.000	0.000
752	A	827	TYR	0	0.007	-0.032	67.508	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	828	ASP	-1	-0.835	-0.915	66.046	-0.011	-0.011	0.000	0.000	0.000	0.000
754	A	829	ARG	1	0.810	0.882	64.258	0.016	0.016	0.000	0.000	0.000	0.000
755	A	830	LEU	0	-0.013	0.011	62.849	-0.001	-0.001	0.000	0.000	0.000	0.000
756	A	831	VAL	0	0.024	0.010	61.603	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	832	PHE	0	-0.015	0.003	59.095	0.000	0.000	0.000	0.000	0.000	0.000
758	A	833	TYR	0	-0.006	-0.041	58.309	0.000	0.000	0.000	0.000	0.000	0.000
759	A	834	ALA	0	0.030	0.026	56.997	-0.002	-0.002	0.000	0.000	0.000	0.000
760	A	835	GLN	0	0.008	-0.013	55.900	0.000	0.000	0.000	0.000	0.000	0.000
761	A	836	ARG	1	0.902	0.948	53.852	0.020	0.020	0.000	0.000	0.000	0.000
762	A	837	GLY	0	0.069	0.019	52.428	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	838	MET	0	-0.120	-0.061	51.608	-0.002	-0.002	0.000	0.000	0.000	0.000
764	A	839	THR	0	-0.033	-0.026	49.214	0.001	0.001	0.000	0.000	0.000	0.000
765	A	840	LEU	0	-0.040	0.005	47.887	0.000	0.000	0.000	0.000	0.000	0.000
766	A	841	PRO	0	-0.001	0.000	42.776	0.001	0.001	0.000	0.000	0.000	0.000
767	A	842	GLU	-1	-0.784	-0.895	43.924	-0.049	-0.049	0.000	0.000	0.000	0.000
768	A	843	SER	0	-0.069	-0.052	43.924	0.002	0.002	0.000	0.000	0.000	0.000
769	A	844	GLY	0	0.072	0.037	45.938	0.003	0.003	0.000	0.000	0.000	0.000
770	A	845	ALA	0	0.074	0.037	49.103	0.003	0.003	0.000	0.000	0.000	0.000
771	A	846	ILE	0	-0.020	0.025	45.890	0.004	0.004	0.000	0.000	0.000	0.000
772	A	847	ARG	1	0.824	0.896	49.677	0.036	0.036	0.000	0.000	0.000	0.000
773	A	848	ASN	0	0.017	-0.019	51.397	0.003	0.003	0.000	0.000	0.000	0.000
774	A	849	SER	0	0.001	-0.008	53.574	0.002	0.002	0.000	0.000	0.000	0.000
775	A	850	ILE	0	-0.016	-0.003	51.105	0.003	0.003	0.000	0.000	0.000	0.000
776	A	851	GLN	0	-0.044	0.002	54.976	0.004	0.004	0.000	0.000	0.000	0.000
777	A	852	PHE	0	0.060	0.032	57.288	0.002	0.002	0.000	0.000	0.000	0.000
778	A	853	LEU	0	0.048	0.017	57.600	0.002	0.002	0.000	0.000	0.000	0.000
779	A	854	THR	0	-0.076	-0.057	57.709	0.002	0.002	0.000	0.000	0.000	0.000
780	A	855	HIS	0	-0.020	-0.028	59.985	0.001	0.001	0.000	0.000	0.000	0.000
781	A	856	PHE	0	0.015	0.018	63.110	0.001	0.001	0.000	0.000	0.000	0.000
782	A	857	VAL	0	0.053	0.027	62.657	0.001	0.001	0.000	0.000	0.000	0.000
783	A	858	MET	0	-0.045	-0.019	63.516	0.002	0.002	0.000	0.000	0.000	0.000
784	A	859	GLN	0	0.026	0.019	66.104	0.000	0.000	0.000	0.000	0.000	0.000
785	A	860	SER	0	0.025	-0.006	67.814	0.001	0.001	0.000	0.000	0.000	0.000
786	A	861	ARG	1	0.880	0.934	69.864	0.007	0.007	0.000	0.000	0.000	0.000
787	A	862	ASN	0	-0.037	-0.014	71.975	0.001	0.001	0.000	0.000	0.000	0.000
788	A	863	HIS	0	0.003	-0.004	72.834	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	864	ALA	0	0.036	0.016	74.336	0.000	0.000	0.000	0.000	0.000	0.000
790	A	865	HIS	0	0.044	0.013	73.663	0.001	0.001	0.000	0.000	0.000	0.000
791	A	866	VAL	0	0.006	0.013	69.480	0.000	0.000	0.000	0.000	0.000	0.000
792	A	867	THR	0	-0.001	0.000	70.258	0.000	0.000	0.000	0.000	0.000	0.000
793	A	868	GLU	-1	-0.903	-0.928	71.046	-0.004	-0.004	0.000	0.000	0.000	0.000
794	A	869	VAL	0	0.023	0.012	67.360	0.001	0.001	0.000	0.000	0.000	0.000
795	A	870	VAL	0	-0.025	0.000	65.702	0.000	0.000	0.000	0.000	0.000	0.000
796	A	871	LEU	0	-0.028	-0.016	66.663	0.001	0.001	0.000	0.000	0.000	0.000
797	A	872	ALA	0	0.005	0.013	68.038	0.001	0.001	0.000	0.000	0.000	0.000
798	A	873	THR	0	-0.054	-0.046	63.421	0.000	0.000	0.000	0.000	0.000	0.000
799	A	874	GLY	0	0.024	0.004	62.528	0.000	0.000	0.000	0.000	0.000	0.000
800	A	875	GLU	-1	-0.905	-0.955	61.208	0.004	0.004	0.000	0.000	0.000	0.000
801	A	876	GLN	0	0.055	0.025	59.386	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	877	THR	0	-0.008	0.008	57.839	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	878	LEU	0	-0.030	-0.017	56.819	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	879	TYR	0	0.033	0.012	52.948	0.001	0.001	0.000	0.000	0.000	0.000
805	A	880	THR	0	0.002	-0.011	53.412	0.001	0.001	0.000	0.000	0.000	0.000
806	A	881	ALA	0	-0.003	-0.004	52.122	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	882	MET	0	-0.011	-0.006	50.939	0.000	0.000	0.000	0.000	0.000	0.000
808	A	883	MET	0	0.025	0.038	49.274	0.003	0.003	0.000	0.000	0.000	0.000
809	A	884	CYS	0	-0.055	0.000	47.600	0.000	0.000	0.000	0.000	0.000	0.000
810	A	885	VAL	0	0.022	-0.004	46.352	-0.001	-0.001	0.000	0.000	0.000	0.000
811	A	886	GLY	0	-0.002	0.002	45.202	0.001	0.001	0.000	0.000	0.000	0.000
812	A	887	TYR	0	-0.014	-0.049	42.990	0.003	0.003	0.000	0.000	0.000	0.000
813	A	888	LEU	0	-0.003	0.014	42.966	-0.002	-0.002	0.000	0.000	0.000	0.000
814	A	889	THR	0	0.006	0.031	44.296	-0.005	-0.005	0.000	0.000	0.000	0.000
815	A	890	PRO	0	0.080	0.032	39.960	0.004	0.004	0.000	0.000	0.000	0.000
816	A	891	ARG	1	0.942	0.965	38.223	0.015	0.015	0.000	0.000	0.000	0.000
817	A	892	SER	0	0.000	0.005	38.924	0.003	0.003	0.000	0.000	0.000	0.000
818	A	893	GLN	0	0.046	0.025	40.804	-0.003	-0.003	0.000	0.000	0.000	0.000
819	A	894	VAL	0	0.033	0.024	43.559	0.002	0.002	0.000	0.000	0.000	0.000
820	A	895	ASP	-1	-0.836	-0.908	44.946	-0.034	-0.034	0.000	0.000	0.000	0.000
821	A	896	LYS	1	0.826	0.917	44.258	0.042	0.042	0.000	0.000	0.000	0.000
822	A	897	PHE	0	0.060	0.015	47.943	0.001	0.001	0.000	0.000	0.000	0.000
823	A	898	ALA	0	-0.002	0.000	51.412	0.002	0.002	0.000	0.000	0.000	0.000
824	A	899	ASP	-1	-0.801	-0.869	53.187	-0.025	-0.025	0.000	0.000	0.000	0.000
825	A	900	ILE	0	0.068	0.038	54.995	0.001	0.001	0.000	0.000	0.000	0.000
826	A	901	LEU	0	0.021	0.016	53.590	0.002	0.002	0.000	0.000	0.000	0.000
827	A	902	LEU	0	0.067	0.027	56.407	0.001	0.001	0.000	0.000	0.000	0.000
828	A	903	ALA	0	-0.072	-0.006	59.301	0.000	0.000	0.000	0.000	0.000	0.000
829	A	904	MET	0	0.026	0.019	60.634	0.000	0.000	0.000	0.000	0.000	0.000
830	A	905	ASN	0	0.043	0.030	60.296	0.001	0.001	0.000	0.000	0.000	0.000
831	A	906	ARG	1	0.863	0.890	59.759	0.017	0.017	0.000	0.000	0.000	0.000
832	A	907	LYS	1	0.820	0.923	65.168	0.014	0.014	0.000	0.000	0.000	0.000
833	A	908	TYR	0	0.013	-0.011	66.255	0.000	0.000	0.000	0.000	0.000	0.000
834	A	909	ALA	0	0.004	0.010	65.057	0.001	0.001	0.000	0.000	0.000	0.000
835	A	910	ALA	0	0.003	0.016	65.214	0.001	0.001	0.000	0.000	0.000	0.000
836	A	911	GLU	-1	-0.824	-0.918	66.323	0.001	0.001	0.000	0.000	0.000	0.000
837	A	912	MET	0	-0.040	0.004	59.687	0.000	0.000	0.000	0.000	0.000	0.000
838	A	913	ALA	0	-0.010	-0.006	61.581	0.001	0.001	0.000	0.000	0.000	0.000
839	A	914	VAL	0	0.030	0.010	62.213	0.002	0.002	0.000	0.000	0.000	0.000
840	A	915	TRP	0	0.037	0.025	61.239	0.001	0.001	0.000	0.000	0.000	0.000
841	A	916	MET	0	-0.015	-0.004	54.979	0.001	0.001	0.000	0.000	0.000	0.000
842	A	917	LYS	1	0.863	0.942	57.807	-0.014	-0.014	0.000	0.000	0.000	0.000
843	A	918	SER	0	0.037	0.009	59.061	0.002	0.002	0.000	0.000	0.000	0.000
844	A	919	LEU	0	0.001	-0.002	56.660	0.002	0.002	0.000	0.000	0.000	0.000
845	A	920	MET	0	-0.038	-0.008	52.295	0.000	0.000	0.000	0.000	0.000	0.000
846	A	921	SER	0	-0.061	-0.055	54.244	0.003	0.003	0.000	0.000	0.000	0.000
847	A	922	THR	0	-0.013	-0.006	56.795	0.002	0.002	0.000	0.000	0.000	0.000
848	A	923	PRO	0	-0.023	0.008	53.477	0.002	0.002	0.000	0.000	0.000	0.000
849	A	924	ASN	0	0.011	-0.013	51.875	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	925	PHE	0	0.007	-0.017	47.817	0.002	0.002	0.000	0.000	0.000	0.000
851	A	926	PRO	0	0.002	0.016	48.951	-0.002	-0.002	0.000	0.000	0.000	0.000
852	A	927	THR	0	-0.001	-0.006	43.160	-0.001	-0.001	0.000	0.000	0.000	0.000
853	A	928	GLN	0	0.014	0.004	43.136	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	929	LEU	0	-0.002	0.024	38.875	0.004	0.004	0.000	0.000	0.000	0.000
855	A	930	ILE	0	-0.058	-0.020	42.306	0.001	0.001	0.000	0.000	0.000	0.000
856	A	931	THR	0	0.048	0.016	44.463	-0.001	-0.001	0.000	0.000	0.000	0.000
857	A	932	ASP	-1	-0.785	-0.891	46.615	0.031	0.031	0.000	0.000	0.000	0.000
858	A	933	ALA	0	0.004	0.016	49.138	-0.003	-0.003	0.000	0.000	0.000	0.000
859	A	934	ASP	-1	-0.798	-0.891	45.296	0.030	0.030	0.000	0.000	0.000	0.000
860	A	935	LYS	1	0.864	0.946	48.580	-0.030	-0.030	0.000	0.000	0.000	0.000
861	A	936	THR	0	-0.015	-0.006	50.314	-0.004	-0.004	0.000	0.000	0.000	0.000
862	A	937	ARG	1	0.831	0.892	46.065	-0.028	-0.028	0.000	0.000	0.000	0.000
863	A	938	TYR	0	-0.006	-0.042	46.299	-0.001	-0.001	0.000	0.000	0.000	0.000
864	A	939	THR	0	-0.014	-0.015	51.557	-0.003	-0.003	0.000	0.000	0.000	0.000
865	A	940	ALA	0	-0.012	-0.012	54.725	-0.002	-0.002	0.000	0.000	0.000	0.000
866	A	941	LEU	0	-0.059	-0.028	51.329	-0.002	-0.002	0.000	0.000	0.000	0.000
867	A	942	ILE	0	-0.007	-0.013	51.460	-0.002	-0.002	0.000	0.000	0.000	0.000
868	A	943	ILE	0	-0.024	-0.011	55.532	-0.002	-0.002	0.000	0.000	0.000	0.000
869	A	944	LYS	1	0.881	0.952	56.630	-0.003	-0.003	0.000	0.000	0.000	0.000
870	A	945	GLU	-1	-0.823	-0.905	55.680	-0.005	-0.005	0.000	0.000	0.000	0.000
871	A	946	LYS	1	0.860	0.929	58.790	0.004	0.004	0.000	0.000	0.000	0.000
872	A	947	VAL	0	-0.003	-0.002	60.230	-0.001	-0.001	0.000	0.000	0.000	0.000
873	A	948	ASN	0	-0.013	-0.012	55.651	-0.004	-0.004	0.000	0.000	0.000	0.000
874	A	949	LYS	1	0.893	0.923	52.112	0.029	0.029	0.000	0.000	0.000	0.000
875	A	950	ARG	1	0.920	0.947	45.646	0.022	0.022	0.000	0.000	0.000	0.000
876	A	951	LEU	0	0.024	0.021	50.070	0.000	0.000	0.000	0.000	0.000	0.000
877	A	952	LEU	0	0.029	0.028	50.942	0.002	0.002	0.000	0.000	0.000	0.000
878	A	953	GLN	0	-0.030	-0.043	47.959	0.001	0.001	0.000	0.000	0.000	0.000
879	A	954	GLN	0	0.024	0.042	44.213	-0.005	-0.005	0.000	0.000	0.000	0.000
880	A	955	HIS	0	-0.015	-0.027	46.443	0.001	0.001	0.000	0.000	0.000	0.000
881	A	956	LEU	0	0.038	0.012	47.710	0.003	0.003	0.000	0.000	0.000	0.000
882	A	957	SER	0	-0.028	-0.015	43.205	-0.001	-0.001	0.000	0.000	0.000	0.000
883	A	958	GLU	-1	-0.821	-0.890	42.834	0.009	0.009	0.000	0.000	0.000	0.000
884	A	959	MET	0	-0.013	-0.002	43.186	0.003	0.003	0.000	0.000	0.000	0.000
885	A	960	ALA	0	0.031	0.012	43.087	0.003	0.003	0.000	0.000	0.000	0.000
886	A	961	MET	0	-0.046	-0.014	35.986	-0.002	-0.002	0.000	0.000	0.000	0.000
887	A	962	LYS	1	0.904	0.952	39.762	-0.036	-0.036	0.000	0.000	0.000	0.000
888	A	963	THR	0	-0.066	-0.055	41.992	0.004	0.004	0.000	0.000	0.000	0.000
889	A	964	ARG	1	0.816	0.904	38.907	0.007	0.007	0.000	0.000	0.000	0.000
890	A	965	GLY	0	-0.010	0.013	37.670	0.003	0.003	0.000	0.000	0.000	0.000
891	A	966	LEU	0	-0.022	0.003	34.797	0.004	0.004	0.000	0.000	0.000	0.000
892	A	967	THR	0	-0.041	-0.021	30.494	-0.001	-0.001	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:54:GLN)