FMO DATABASE

FMODB ID: 5N3LZ

Calculation Name: 4BZY-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4BZY

Chain ID: A

ChEMBL ID:

UniProt ID: Q04446

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	640
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15682970.736185
FMO2-HF: Nuclear repulsion	15424071.224987
FMO2-HF: Total energy	-258899.511199
FMO2-MP2: Total energy	-259656.673967

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:43:VAL)

Summations of interaction energy for fragment #1(A:43:VAL)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-3.739	0.746	0.566	-1.385	-3.666	-0.003

Interaction energy analysis for fragmet #1(A:43:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.007 / q_NPA : -0.021

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	45	PHE	0	0.014	0.002	3.267	-2.158	0.425	0.350	-0.985	-1.948	-0.002
4	A	46	GLN	0	0.023	0.017	4.967	0.482	0.597	-0.001	-0.004	-0.110	0.000
5	A	47	ARG	1	0.803	0.862	5.208	-1.716	-1.716	0.000	0.000	0.000	0.000
6	A	48	ARG	1	0.862	0.931	3.286	0.182	0.892	0.079	-0.203	-0.586	-0.001
7	A	49	TYR	0	0.038	0.018	7.911	0.062	0.062	0.000	0.000	0.000	0.000
8	A	50	LYS	1	0.869	0.920	10.731	-0.085	-0.085	0.000	0.000	0.000	0.000
9	A	51	GLN	0	-0.020	-0.025	8.523	0.002	0.002	0.000	0.000	0.000	0.000
10	A	52	PHE	0	0.045	0.019	11.960	-0.023	-0.023	0.000	0.000	0.000	0.000
11	A	53	SER	0	-0.026	0.000	13.682	0.002	0.002	0.000	0.000	0.000	0.000
12	A	54	GLN	0	0.017	0.000	15.739	-0.024	-0.024	0.000	0.000	0.000	0.000
13	A	55	ILE	0	0.037	0.025	15.582	-0.007	-0.007	0.000	0.000	0.000	0.000
14	A	56	LEU	0	0.008	0.003	17.829	-0.011	-0.011	0.000	0.000	0.000	0.000
15	A	57	LYS	1	0.787	0.876	19.682	-0.089	-0.089	0.000	0.000	0.000	0.000
16	A	58	ASN	0	-0.013	-0.016	20.728	-0.005	-0.005	0.000	0.000	0.000	0.000
17	A	59	ILE	0	0.008	0.006	20.393	-0.005	-0.005	0.000	0.000	0.000	0.000
18	A	60	GLY	0	-0.029	-0.018	23.988	-0.010	-0.010	0.000	0.000	0.000	0.000
19	A	61	GLU	-1	-0.870	-0.906	25.222	0.067	0.067	0.000	0.000	0.000	0.000
20	A	62	ASN	0	-0.065	-0.031	25.451	0.003	0.003	0.000	0.000	0.000	0.000
21	A	63	GLU	-1	-0.767	-0.840	26.360	0.053	0.053	0.000	0.000	0.000	0.000
22	A	64	GLY	0	-0.061	-0.027	28.881	-0.003	-0.003	0.000	0.000	0.000	0.000
23	A	65	GLY	0	0.065	0.027	26.402	-0.007	-0.007	0.000	0.000	0.000	0.000
24	A	66	ILE	0	0.029	-0.003	20.785	0.002	0.002	0.000	0.000	0.000	0.000
25	A	67	ASP	-1	-0.769	-0.835	24.954	-0.008	-0.008	0.000	0.000	0.000	0.000
26	A	68	LYS	1	0.954	0.976	28.082	-0.014	-0.014	0.000	0.000	0.000	0.000
27	A	69	PHE	0	-0.028	0.003	22.280	0.000	0.000	0.000	0.000	0.000	0.000
28	A	70	SER	0	-0.050	-0.030	25.112	0.001	0.001	0.000	0.000	0.000	0.000
29	A	71	ARG	1	0.814	0.853	26.942	-0.002	-0.002	0.000	0.000	0.000	0.000
30	A	72	GLY	0	0.038	0.029	29.662	0.001	0.001	0.000	0.000	0.000	0.000
31	A	73	TYR	0	0.008	-0.039	30.333	0.001	0.001	0.000	0.000	0.000	0.000
32	A	74	GLU	-1	-0.829	-0.878	32.986	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	75	SER	0	-0.060	-0.029	35.296	0.002	0.002	0.000	0.000	0.000	0.000
34	A	76	PHE	0	-0.014	-0.006	32.492	0.003	0.003	0.000	0.000	0.000	0.000
35	A	77	GLY	0	0.040	0.036	35.495	-0.004	-0.004	0.000	0.000	0.000	0.000
36	A	78	VAL	0	-0.038	-0.041	37.339	0.002	0.002	0.000	0.000	0.000	0.000
37	A	79	HIS	0	-0.001	0.005	37.372	-0.004	-0.004	0.000	0.000	0.000	0.000
38	A	80	ARG	1	0.851	0.897	42.705	-0.002	-0.002	0.000	0.000	0.000	0.000
39	A	81	CYS	0	-0.052	-0.018	45.916	-0.001	-0.001	0.000	0.000	0.000	0.000
40	A	82	ALA	0	0.029	0.007	47.249	-0.001	-0.001	0.000	0.000	0.000	0.000
41	A	83	ASP	-1	-0.833	-0.909	49.478	0.011	0.011	0.000	0.000	0.000	0.000
42	A	84	GLY	0	-0.022	-0.013	51.100	0.000	0.000	0.000	0.000	0.000	0.000
43	A	85	GLY	0	-0.025	-0.012	50.506	0.000	0.000	0.000	0.000	0.000	0.000
44	A	86	LEU	0	-0.019	-0.011	45.656	-0.001	-0.001	0.000	0.000	0.000	0.000
45	A	87	TYR	0	-0.024	-0.033	39.444	0.002	0.002	0.000	0.000	0.000	0.000
46	A	88	CYS	0	-0.026	-0.001	41.030	-0.002	-0.002	0.000	0.000	0.000	0.000
47	A	89	LYS	1	0.845	0.924	35.733	-0.029	-0.029	0.000	0.000	0.000	0.000
48	A	90	GLU	-1	-0.776	-0.874	34.870	0.033	0.033	0.000	0.000	0.000	0.000
49	A	91	TRP	0	-0.050	-0.031	27.231	0.002	0.002	0.000	0.000	0.000	0.000
50	A	92	ALA	0	0.030	0.001	32.966	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	93	PRO	0	0.002	0.005	30.447	-0.002	-0.002	0.000	0.000	0.000	0.000
52	A	94	GLY	0	0.006	0.015	33.729	0.001	0.001	0.000	0.000	0.000	0.000
53	A	95	ALA	0	-0.011	0.008	35.276	-0.002	-0.002	0.000	0.000	0.000	0.000
54	A	96	GLU	-1	-0.919	-0.973	38.536	0.060	0.060	0.000	0.000	0.000	0.000
55	A	97	GLY	0	0.005	-0.009	41.728	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	98	VAL	0	0.001	0.011	39.121	0.001	0.001	0.000	0.000	0.000	0.000
57	A	99	PHE	0	-0.009	0.003	42.476	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	100	LEU	0	-0.008	0.007	43.280	0.000	0.000	0.000	0.000	0.000	0.000
59	A	101	THR	0	-0.048	-0.042	45.644	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	102	GLY	0	0.096	0.029	46.873	0.000	0.000	0.000	0.000	0.000	0.000
61	A	103	ASP	-1	-0.817	-0.886	49.249	0.010	0.010	0.000	0.000	0.000	0.000
62	A	104	PHE	0	-0.051	-0.025	48.216	0.000	0.000	0.000	0.000	0.000	0.000
63	A	105	ASN	0	-0.048	-0.034	51.069	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	106	GLY	0	-0.008	0.000	53.783	0.001	0.001	0.000	0.000	0.000	0.000
65	A	107	TRP	0	-0.039	-0.027	46.807	0.001	0.001	0.000	0.000	0.000	0.000
66	A	108	ASN	0	-0.001	0.009	52.225	0.002	0.002	0.000	0.000	0.000	0.000
67	A	109	PRO	0	-0.007	0.022	49.446	0.000	0.000	0.000	0.000	0.000	0.000
68	A	110	PHE	0	0.036	-0.009	47.648	0.001	0.001	0.000	0.000	0.000	0.000
69	A	111	SER	0	-0.022	-0.004	50.607	0.000	0.000	0.000	0.000	0.000	0.000
70	A	112	TYR	0	-0.017	-0.006	48.497	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	113	PRO	0	0.039	0.011	46.798	0.001	0.001	0.000	0.000	0.000	0.000
72	A	114	TYR	0	-0.021	-0.010	39.966	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	115	LYS	1	0.825	0.913	43.098	-0.035	-0.035	0.000	0.000	0.000	0.000
74	A	116	LYS	1	0.874	0.947	39.662	-0.056	-0.056	0.000	0.000	0.000	0.000
75	A	117	LEU	0	-0.053	-0.027	37.735	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	118	ASP	-1	-0.865	-0.934	35.360	0.065	0.065	0.000	0.000	0.000	0.000
77	A	119	TYR	0	-0.043	-0.039	30.251	0.000	0.000	0.000	0.000	0.000	0.000
78	A	120	GLY	0	0.041	0.024	31.886	0.002	0.002	0.000	0.000	0.000	0.000
79	A	121	LYS	1	0.829	0.915	30.333	-0.071	-0.071	0.000	0.000	0.000	0.000
80	A	122	TRP	0	0.006	0.005	35.426	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	123	GLU	-1	-0.804	-0.873	38.565	0.032	0.032	0.000	0.000	0.000	0.000
82	A	124	LEU	0	0.014	0.004	41.092	0.000	0.000	0.000	0.000	0.000	0.000
83	A	125	TYR	0	-0.048	-0.049	44.387	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	126	ILE	0	-0.019	0.005	47.095	0.001	0.001	0.000	0.000	0.000	0.000
85	A	127	PRO	0	0.034	0.003	50.236	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	128	PRO	0	0.015	0.024	52.851	0.000	0.000	0.000	0.000	0.000	0.000
87	A	129	LYS	1	0.861	0.929	54.684	-0.008	-0.008	0.000	0.000	0.000	0.000
88	A	130	GLN	0	0.052	0.020	57.667	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	131	ASN	0	-0.007	0.003	60.275	0.000	0.000	0.000	0.000	0.000	0.000
90	A	132	LYS	1	0.937	0.966	58.246	-0.007	-0.007	0.000	0.000	0.000	0.000
91	A	133	SER	0	-0.018	-0.007	57.738	0.000	0.000	0.000	0.000	0.000	0.000
92	A	134	VAL	0	0.065	0.021	51.405	0.001	0.001	0.000	0.000	0.000	0.000
93	A	135	LEU	0	-0.019	0.009	50.747	0.000	0.000	0.000	0.000	0.000	0.000
94	A	136	VAL	0	0.035	0.018	47.488	0.001	0.001	0.000	0.000	0.000	0.000
95	A	137	PRO	0	-0.020	0.001	50.159	-0.001	-0.001	0.000	0.000	0.000	0.000
96	A	138	HIS	0	0.060	0.037	46.189	0.002	0.002	0.000	0.000	0.000	0.000
97	A	139	GLY	0	0.017	0.006	47.780	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	140	SER	0	-0.083	-0.046	48.902	0.001	0.001	0.000	0.000	0.000	0.000
99	A	141	LYS	1	0.875	0.917	46.579	-0.008	-0.008	0.000	0.000	0.000	0.000
100	A	142	LEU	0	-0.029	-0.016	43.880	0.001	0.001	0.000	0.000	0.000	0.000
101	A	143	LYS	1	0.831	0.898	42.283	-0.018	-0.018	0.000	0.000	0.000	0.000
102	A	144	VAL	0	0.002	0.016	39.012	0.000	0.000	0.000	0.000	0.000	0.000
103	A	145	VAL	0	-0.028	-0.007	42.129	0.000	0.000	0.000	0.000	0.000	0.000
104	A	146	ILE	0	-0.007	-0.011	38.582	0.001	0.001	0.000	0.000	0.000	0.000
105	A	147	THR	0	0.010	0.017	41.802	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	148	SER	0	0.024	0.000	39.944	0.003	0.003	0.000	0.000	0.000	0.000
107	A	149	LYS	1	0.892	0.928	35.827	-0.073	-0.073	0.000	0.000	0.000	0.000
108	A	150	SER	0	-0.039	-0.015	41.450	0.001	0.001	0.000	0.000	0.000	0.000
109	A	151	GLY	0	-0.018	-0.003	43.782	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	152	GLU	-1	-0.943	-0.968	41.203	0.045	0.045	0.000	0.000	0.000	0.000
111	A	153	ILE	0	-0.006	-0.008	44.278	0.001	0.001	0.000	0.000	0.000	0.000
112	A	154	LEU	0	-0.014	0.012	38.760	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	155	TYR	0	0.022	0.003	42.031	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	156	ARG	1	0.809	0.910	36.494	-0.041	-0.041	0.000	0.000	0.000	0.000
115	A	157	ILE	0	0.019	0.025	36.601	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	158	SER	0	-0.025	-0.029	36.631	0.002	0.002	0.000	0.000	0.000	0.000
117	A	159	PRO	0	-0.013	-0.014	31.112	-0.003	-0.003	0.000	0.000	0.000	0.000
118	A	160	TRP	0	-0.025	-0.018	29.422	-0.003	-0.003	0.000	0.000	0.000	0.000
119	A	161	ALA	0	-0.050	-0.008	33.897	-0.003	-0.003	0.000	0.000	0.000	0.000
120	A	162	LYS	1	0.873	0.915	35.774	0.000	0.000	0.000	0.000	0.000	0.000
121	A	163	TYR	0	-0.034	-0.029	37.501	-0.002	-0.002	0.000	0.000	0.000	0.000
122	A	164	VAL	0	-0.004	-0.008	37.152	0.003	0.003	0.000	0.000	0.000	0.000
123	A	165	VAL	0	0.024	0.010	40.124	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	166	ARG	1	0.833	0.914	39.324	-0.004	-0.004	0.000	0.000	0.000	0.000
125	A	167	GLU	-1	-0.858	-0.908	43.678	0.004	0.004	0.000	0.000	0.000	0.000
126	A	168	GLY	0	0.034	0.023	47.491	0.001	0.001	0.000	0.000	0.000	0.000
127	A	169	ASP	-1	-0.917	-0.970	46.968	0.002	0.002	0.000	0.000	0.000	0.000
128	A	170	ASN	0	-0.081	-0.032	46.239	0.002	0.002	0.000	0.000	0.000	0.000
129	A	171	VAL	0	0.019	0.009	42.690	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	172	ASN	0	-0.051	-0.013	41.403	0.001	0.001	0.000	0.000	0.000	0.000
131	A	173	TYR	0	-0.046	-0.034	38.505	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	174	ASP	-1	-0.830	-0.931	41.506	0.016	0.016	0.000	0.000	0.000	0.000
133	A	175	TRP	0	-0.012	-0.012	40.234	0.000	0.000	0.000	0.000	0.000	0.000
134	A	176	ILE	0	-0.038	-0.006	41.982	0.001	0.001	0.000	0.000	0.000	0.000
135	A	177	HIS	0	-0.041	-0.022	42.892	0.001	0.001	0.000	0.000	0.000	0.000
136	A	178	TRP	0	-0.056	-0.054	41.929	0.000	0.000	0.000	0.000	0.000	0.000
137	A	179	ASP	-1	-0.807	-0.877	43.352	0.004	0.004	0.000	0.000	0.000	0.000
138	A	180	PRO	0	-0.008	0.003	45.028	0.000	0.000	0.000	0.000	0.000	0.000
139	A	181	GLU	-1	-0.938	-0.962	48.033	-0.005	-0.005	0.000	0.000	0.000	0.000
140	A	182	HIS	0	-0.057	-0.042	49.125	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	183	SER	0	0.004	0.014	43.450	0.000	0.000	0.000	0.000	0.000	0.000
142	A	184	TYR	0	-0.039	-0.053	41.533	0.000	0.000	0.000	0.000	0.000	0.000
143	A	185	GLU	-1	-0.924	-0.938	42.406	-0.016	-0.016	0.000	0.000	0.000	0.000
144	A	186	PHE	0	0.012	-0.015	37.026	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	187	LYS	1	0.782	0.879	41.827	0.020	0.020	0.000	0.000	0.000	0.000
146	A	188	HIS	0	-0.033	0.000	40.656	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	189	SER	0	-0.041	-0.015	38.089	0.001	0.001	0.000	0.000	0.000	0.000
148	A	190	ARG	1	0.934	0.950	31.283	0.062	0.062	0.000	0.000	0.000	0.000
149	A	191	PRO	0	-0.010	0.012	33.580	0.001	0.001	0.000	0.000	0.000	0.000
150	A	192	LYS	1	0.946	0.966	33.826	0.071	0.071	0.000	0.000	0.000	0.000
151	A	193	LYS	1	0.896	0.952	23.777	0.126	0.126	0.000	0.000	0.000	0.000
152	A	194	PRO	0	-0.015	-0.007	28.869	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	195	ARG	1	0.812	0.918	28.524	0.107	0.107	0.000	0.000	0.000	0.000
154	A	196	SER	0	-0.022	-0.042	27.337	-0.012	-0.012	0.000	0.000	0.000	0.000
155	A	197	LEU	0	-0.007	0.013	23.478	0.009	0.009	0.000	0.000	0.000	0.000
156	A	198	ARG	1	0.760	0.855	27.379	0.081	0.081	0.000	0.000	0.000	0.000
157	A	199	ILE	0	0.010	-0.005	24.675	0.007	0.007	0.000	0.000	0.000	0.000
158	A	200	TYR	0	-0.022	-0.050	29.052	0.000	0.000	0.000	0.000	0.000	0.000
159	A	201	GLU	-1	-0.798	-0.893	26.038	-0.078	-0.078	0.000	0.000	0.000	0.000
160	A	202	SER	0	-0.012	-0.024	29.885	0.004	0.004	0.000	0.000	0.000	0.000
161	A	203	HIS	0	0.051	0.022	31.855	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	204	VAL	0	0.036	0.021	34.258	0.001	0.001	0.000	0.000	0.000	0.000
163	A	205	GLY	0	0.046	0.034	37.164	0.001	0.001	0.000	0.000	0.000	0.000
164	A	206	ILE	0	0.016	0.016	35.352	0.002	0.002	0.000	0.000	0.000	0.000
165	A	207	SER	0	-0.053	-0.033	38.572	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	208	SER	0	-0.002	0.002	40.166	0.000	0.000	0.000	0.000	0.000	0.000
167	A	209	HIS	0	0.077	0.034	43.620	0.000	0.000	0.000	0.000	0.000	0.000
168	A	210	GLU	-1	-0.820	-0.895	46.145	-0.017	-0.017	0.000	0.000	0.000	0.000
169	A	211	GLY	0	0.016	0.014	45.411	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	212	LYS	1	0.787	0.867	45.474	0.018	0.018	0.000	0.000	0.000	0.000
171	A	213	VAL	0	-0.011	0.006	40.786	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	214	ALA	0	-0.044	-0.001	41.696	0.001	0.001	0.000	0.000	0.000	0.000
173	A	215	SER	0	0.049	0.000	41.728	0.000	0.000	0.000	0.000	0.000	0.000
174	A	216	TYR	0	0.006	-0.024	36.532	-0.004	-0.004	0.000	0.000	0.000	0.000
175	A	217	LYS	1	0.938	0.958	41.148	0.014	0.014	0.000	0.000	0.000	0.000
176	A	218	HIS	0	-0.030	-0.001	42.464	0.000	0.000	0.000	0.000	0.000	0.000
177	A	219	PHE	0	0.053	0.006	35.606	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	220	THR	0	0.010	-0.013	41.329	-0.003	-0.003	0.000	0.000	0.000	0.000
179	A	221	CYS	0	-0.055	-0.021	42.520	-0.001	-0.001	0.000	0.000	0.000	0.000
180	A	222	ASN	0	-0.050	-0.043	44.619	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	223	VAL	0	-0.050	-0.008	38.798	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	224	LEU	0	0.011	0.019	37.724	-0.003	-0.003	0.000	0.000	0.000	0.000
183	A	225	PRO	0	0.037	0.011	40.309	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	226	ARG	1	0.839	0.909	40.842	0.038	0.038	0.000	0.000	0.000	0.000
185	A	227	ILE	0	0.025	0.008	35.495	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	228	LYS	1	0.924	0.956	38.133	0.050	0.050	0.000	0.000	0.000	0.000
187	A	229	GLY	0	-0.025	-0.006	39.867	-0.002	-0.002	0.000	0.000	0.000	0.000
188	A	230	LEU	0	-0.044	-0.034	37.833	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	231	GLY	0	0.003	0.006	37.986	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	232	TYR	0	-0.046	-0.052	31.633	-0.006	-0.006	0.000	0.000	0.000	0.000
191	A	233	ASN	0	-0.034	-0.027	30.993	0.002	0.002	0.000	0.000	0.000	0.000
192	A	234	CYS	0	-0.033	-0.002	28.240	-0.002	-0.002	0.000	0.000	0.000	0.000
193	A	235	ILE	0	0.013	0.024	30.884	0.001	0.001	0.000	0.000	0.000	0.000
194	A	236	GLN	0	-0.037	-0.034	24.762	-0.010	-0.010	0.000	0.000	0.000	0.000
195	A	237	LEU	0	-0.018	-0.006	28.495	0.002	0.002	0.000	0.000	0.000	0.000
196	A	238	MET	0	0.023	0.014	26.611	0.003	0.003	0.000	0.000	0.000	0.000
197	A	239	ALA	0	-0.019	-0.017	29.462	0.003	0.003	0.000	0.000	0.000	0.000
198	A	240	ILE	0	0.043	0.036	30.746	0.004	0.004	0.000	0.000	0.000	0.000
199	A	241	MET	0	0.008	0.019	25.978	0.002	0.002	0.000	0.000	0.000	0.000
200	A	242	GLU	-1	-0.690	-0.802	30.837	-0.004	-0.004	0.000	0.000	0.000	0.000
201	A	243	HIS	0	-0.021	-0.027	31.292	0.003	0.003	0.000	0.000	0.000	0.000
202	A	244	ALA	0	0.034	0.035	33.153	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	245	TYR	0	0.032	0.008	33.385	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	246	TYR	0	0.077	0.036	34.382	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	247	ALA	0	0.033	0.011	34.850	-0.003	-0.003	0.000	0.000	0.000	0.000
206	A	248	SER	0	-0.063	-0.036	30.361	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	249	PHE	0	0.007	-0.004	29.002	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	250	GLY	0	0.050	0.026	29.770	-0.005	-0.005	0.000	0.000	0.000	0.000
209	A	251	TYR	0	-0.050	-0.042	23.305	0.005	0.005	0.000	0.000	0.000	0.000
210	A	252	GLN	0	-0.027	-0.022	26.946	0.009	0.009	0.000	0.000	0.000	0.000
211	A	253	ILE	0	0.005	0.019	26.865	0.001	0.001	0.000	0.000	0.000	0.000
212	A	254	THR	0	-0.046	-0.024	29.395	0.005	0.005	0.000	0.000	0.000	0.000
213	A	255	SER	0	0.027	0.000	31.936	0.005	0.005	0.000	0.000	0.000	0.000
214	A	256	PHE	0	0.048	0.005	24.968	-0.003	-0.003	0.000	0.000	0.000	0.000
215	A	257	PHE	0	0.012	0.024	28.843	-0.005	-0.005	0.000	0.000	0.000	0.000
216	A	258	ALA	0	0.005	0.030	32.039	-0.003	-0.003	0.000	0.000	0.000	0.000
217	A	259	ALA	0	0.013	0.013	33.505	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	260	SER	0	-0.091	-0.070	34.760	0.002	0.002	0.000	0.000	0.000	0.000
219	A	261	SER	0	0.032	0.008	36.429	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	262	ARG	1	0.798	0.905	36.169	0.005	0.005	0.000	0.000	0.000	0.000
221	A	263	TYR	0	-0.023	-0.013	34.738	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	264	GLY	0	0.025	0.017	41.009	-0.002	-0.002	0.000	0.000	0.000	0.000
223	A	265	SER	0	-0.023	-0.031	41.621	0.001	0.001	0.000	0.000	0.000	0.000
224	A	266	PRO	0	0.018	-0.004	38.689	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	267	GLU	-1	-0.741	-0.874	39.542	-0.011	-0.011	0.000	0.000	0.000	0.000
226	A	268	GLU	-1	-0.809	-0.860	42.164	-0.016	-0.016	0.000	0.000	0.000	0.000
227	A	269	LEU	0	-0.014	0.002	34.181	-0.002	-0.002	0.000	0.000	0.000	0.000
228	A	270	GLN	0	-0.020	-0.027	37.771	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	271	GLU	-1	-0.891	-0.942	39.010	-0.024	-0.024	0.000	0.000	0.000	0.000
230	A	272	LEU	0	-0.062	-0.005	36.467	-0.002	-0.002	0.000	0.000	0.000	0.000
231	A	273	VAL	0	0.018	0.004	34.260	-0.003	-0.003	0.000	0.000	0.000	0.000
232	A	274	ASP	-1	-0.716	-0.839	36.892	-0.033	-0.033	0.000	0.000	0.000	0.000
233	A	275	THR	0	-0.014	-0.015	39.629	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	276	ALA	0	-0.007	0.007	36.194	-0.002	-0.002	0.000	0.000	0.000	0.000
235	A	277	HIS	0	-0.038	-0.044	33.062	0.000	0.000	0.000	0.000	0.000	0.000
236	A	278	SER	0	-0.074	-0.030	37.820	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	279	MET	0	-0.039	-0.018	39.790	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	280	GLY	0	-0.056	-0.023	37.854	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	281	ILE	0	-0.089	-0.042	33.866	-0.004	-0.004	0.000	0.000	0.000	0.000
240	A	282	ILE	0	0.000	0.009	28.020	0.002	0.002	0.000	0.000	0.000	0.000
241	A	283	VAL	0	0.004	-0.015	31.111	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	284	LEU	0	-0.034	-0.005	24.352	0.000	0.000	0.000	0.000	0.000	0.000
243	A	285	LEU	0	0.013	0.006	26.518	0.003	0.003	0.000	0.000	0.000	0.000
244	A	286	ASP	-1	-0.768	-0.873	24.474	-0.070	-0.070	0.000	0.000	0.000	0.000
245	A	287	VAL	0	0.010	-0.008	21.962	0.009	0.009	0.000	0.000	0.000	0.000
246	A	288	VAL	0	0.017	0.011	21.526	-0.003	-0.003	0.000	0.000	0.000	0.000
247	A	289	HIS	0	0.021	0.004	20.062	0.010	0.010	0.000	0.000	0.000	0.000
248	A	290	SER	0	0.000	-0.014	18.453	0.010	0.010	0.000	0.000	0.000	0.000
249	A	291	HIS	0	-0.030	0.000	19.399	0.018	0.018	0.000	0.000	0.000	0.000
250	A	292	ALA	0	-0.012	0.001	22.463	-0.008	-0.008	0.000	0.000	0.000	0.000
251	A	293	SER	0	0.010	0.010	26.218	0.005	0.005	0.000	0.000	0.000	0.000
252	A	294	LYS	1	0.822	0.885	28.515	-0.048	-0.048	0.000	0.000	0.000	0.000
253	A	295	ASN	0	-0.057	-0.032	31.208	0.003	0.003	0.000	0.000	0.000	0.000
254	A	296	SER	0	0.006	0.003	33.548	0.001	0.001	0.000	0.000	0.000	0.000
255	A	297	ALA	0	-0.010	0.000	35.860	0.000	0.000	0.000	0.000	0.000	0.000
256	A	298	ASP	-1	-0.805	-0.902	37.661	0.018	0.018	0.000	0.000	0.000	0.000
257	A	299	GLY	0	-0.001	-0.005	33.717	-0.003	-0.003	0.000	0.000	0.000	0.000
258	A	300	LEU	0	0.006	0.017	27.516	0.002	0.002	0.000	0.000	0.000	0.000
259	A	301	ASN	0	0.004	0.009	30.396	0.013	0.013	0.000	0.000	0.000	0.000
260	A	302	MET	0	-0.033	-0.016	31.489	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	303	PHE	0	0.028	0.028	32.747	-0.002	-0.002	0.000	0.000	0.000	0.000
262	A	304	ASP	-1	-0.711	-0.856	33.201	0.071	0.071	0.000	0.000	0.000	0.000
263	A	305	GLY	0	0.028	0.008	35.752	0.001	0.001	0.000	0.000	0.000	0.000
264	A	306	THR	0	-0.046	-0.043	31.720	0.002	0.002	0.000	0.000	0.000	0.000
265	A	307	ASP	-1	-0.781	-0.887	28.497	0.105	0.105	0.000	0.000	0.000	0.000
266	A	308	SER	0	-0.005	0.007	27.042	0.000	0.000	0.000	0.000	0.000	0.000
267	A	309	CYS	0	-0.058	-0.009	28.004	0.002	0.002	0.000	0.000	0.000	0.000
268	A	310	TYR	0	0.019	-0.002	26.287	0.007	0.007	0.000	0.000	0.000	0.000
269	A	311	PHE	0	0.002	-0.004	23.791	0.000	0.000	0.000	0.000	0.000	0.000
270	A	312	HIS	0	0.044	0.032	18.719	0.016	0.016	0.000	0.000	0.000	0.000
271	A	313	SER	0	-0.025	-0.037	23.150	-0.012	-0.012	0.000	0.000	0.000	0.000
272	A	314	GLY	0	-0.003	-0.003	24.150	0.014	0.014	0.000	0.000	0.000	0.000
273	A	315	PRO	0	-0.001	-0.021	22.973	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	316	ARG	1	0.880	0.928	14.444	-0.295	-0.295	0.000	0.000	0.000	0.000
275	A	317	GLY	0	-0.018	-0.002	20.321	0.001	0.001	0.000	0.000	0.000	0.000
276	A	318	THR	0	-0.068	-0.031	22.469	-0.020	-0.020	0.000	0.000	0.000	0.000
277	A	319	HIS	0	0.033	0.013	19.124	0.014	0.014	0.000	0.000	0.000	0.000
278	A	320	ASP	-1	-0.859	-0.940	22.508	0.075	0.075	0.000	0.000	0.000	0.000
279	A	321	LEU	0	-0.047	-0.017	21.266	-0.007	-0.007	0.000	0.000	0.000	0.000
280	A	322	TRP	0	-0.008	-0.008	19.597	-0.009	-0.009	0.000	0.000	0.000	0.000
281	A	323	ASP	-1	-0.806	-0.868	25.544	0.046	0.046	0.000	0.000	0.000	0.000
282	A	324	SER	0	-0.043	-0.021	24.518	-0.004	-0.004	0.000	0.000	0.000	0.000
283	A	325	ARG	1	0.734	0.852	25.042	-0.078	-0.078	0.000	0.000	0.000	0.000
284	A	326	LEU	0	0.020	0.009	18.419	-0.010	-0.010	0.000	0.000	0.000	0.000
285	A	327	PHE	0	0.011	-0.006	20.142	0.010	0.010	0.000	0.000	0.000	0.000
286	A	328	ALA	0	-0.010	0.009	19.773	0.018	0.018	0.000	0.000	0.000	0.000
287	A	329	TYR	0	-0.005	-0.040	16.480	-0.002	-0.002	0.000	0.000	0.000	0.000
288	A	330	SER	0	-0.012	-0.030	17.319	-0.019	-0.019	0.000	0.000	0.000	0.000
289	A	331	SER	0	-0.087	-0.029	18.626	-0.005	-0.005	0.000	0.000	0.000	0.000
290	A	332	TRP	0	0.010	-0.022	21.325	-0.007	-0.007	0.000	0.000	0.000	0.000
291	A	333	GLU	-1	-0.715	-0.833	23.668	0.057	0.057	0.000	0.000	0.000	0.000
292	A	334	VAL	0	0.004	0.018	21.569	-0.012	-0.012	0.000	0.000	0.000	0.000
293	A	335	LEU	0	-0.007	0.001	17.947	-0.015	-0.015	0.000	0.000	0.000	0.000
294	A	336	ARG	1	0.732	0.823	21.977	-0.069	-0.069	0.000	0.000	0.000	0.000
295	A	337	PHE	0	-0.001	0.000	25.411	-0.011	-0.011	0.000	0.000	0.000	0.000
296	A	338	LEU	0	0.014	0.009	20.259	-0.009	-0.009	0.000	0.000	0.000	0.000
297	A	339	LEU	0	-0.001	-0.008	19.577	-0.013	-0.013	0.000	0.000	0.000	0.000
298	A	340	SER	0	-0.002	-0.017	23.380	-0.010	-0.010	0.000	0.000	0.000	0.000
299	A	341	ASN	0	-0.035	-0.013	25.452	-0.009	-0.009	0.000	0.000	0.000	0.000
300	A	342	ILE	0	-0.045	-0.018	21.415	-0.006	-0.006	0.000	0.000	0.000	0.000
301	A	343	ARG	1	0.763	0.857	24.888	0.010	0.010	0.000	0.000	0.000	0.000
302	A	344	TRP	0	-0.011	-0.001	27.487	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	345	TRP	0	0.002	-0.013	26.768	-0.003	-0.003	0.000	0.000	0.000	0.000
304	A	346	LEU	0	-0.026	-0.002	25.507	-0.004	-0.004	0.000	0.000	0.000	0.000
305	A	347	GLU	-1	-0.827	-0.907	29.763	-0.025	-0.025	0.000	0.000	0.000	0.000
306	A	348	GLU	-1	-0.822	-0.879	32.822	-0.007	-0.007	0.000	0.000	0.000	0.000
307	A	349	TYR	0	0.008	-0.017	32.526	0.000	0.000	0.000	0.000	0.000	0.000
308	A	350	ARG	1	0.845	0.939	32.652	0.025	0.025	0.000	0.000	0.000	0.000
309	A	351	PHE	0	0.040	0.021	28.749	-0.003	-0.003	0.000	0.000	0.000	0.000
310	A	352	ASP	-1	-0.799	-0.890	28.851	-0.062	-0.062	0.000	0.000	0.000	0.000
311	A	353	GLY	0	0.004	-0.012	24.842	-0.008	-0.008	0.000	0.000	0.000	0.000
312	A	354	PHE	0	-0.030	-0.005	21.702	0.008	0.008	0.000	0.000	0.000	0.000
313	A	355	ARG	1	0.782	0.872	20.024	0.069	0.069	0.000	0.000	0.000	0.000
314	A	356	PHE	0	-0.011	-0.006	17.173	0.013	0.013	0.000	0.000	0.000	0.000
315	A	357	ASP	-1	-0.763	-0.866	18.122	-0.086	-0.086	0.000	0.000	0.000	0.000
316	A	358	GLY	0	0.021	-0.002	18.555	0.012	0.012	0.000	0.000	0.000	0.000
317	A	359	VAL	0	-0.022	-0.016	12.414	0.016	0.016	0.000	0.000	0.000	0.000
318	A	360	THR	0	-0.013	-0.040	12.163	0.015	0.015	0.000	0.000	0.000	0.000
319	A	361	SER	0	-0.024	-0.012	12.825	0.023	0.023	0.000	0.000	0.000	0.000
320	A	362	MET	0	-0.049	0.013	13.790	0.019	0.019	0.000	0.000	0.000	0.000
321	A	363	LEU	0	-0.005	-0.003	8.348	0.046	0.046	0.000	0.000	0.000	0.000
322	A	364	TYR	0	-0.014	-0.011	6.237	0.070	0.070	0.000	0.000	0.000	0.000
323	A	365	HIS	0	-0.004	0.008	10.897	-0.035	-0.035	0.000	0.000	0.000	0.000
324	A	384	GLN	0	0.008	0.001	7.544	0.003	0.003	0.000	0.000	0.000	0.000
325	A	385	VAL	0	-0.014	-0.021	3.894	-0.322	-0.162	0.000	-0.022	-0.138	0.000
326	A	386	ASP	-1	-0.791	-0.880	7.015	0.487	0.487	0.000	0.000	0.000	0.000
327	A	387	GLU	-1	-0.772	-0.855	6.375	1.637	1.637	0.000	0.000	0.000	0.000
328	A	388	ASP	-1	-0.831	-0.865	9.749	0.252	0.252	0.000	0.000	0.000	0.000
329	A	389	ALA	0	0.013	0.008	12.551	-0.058	-0.058	0.000	0.000	0.000	0.000
330	A	390	LEU	0	-0.009	-0.009	5.979	-0.056	-0.056	0.000	0.000	0.000	0.000
331	A	391	THR	0	-0.023	-0.037	10.345	-0.074	-0.074	0.000	0.000	0.000	0.000
332	A	392	TYR	0	-0.014	-0.026	12.197	-0.039	-0.039	0.000	0.000	0.000	0.000
333	A	393	LEU	0	0.010	0.005	12.121	-0.028	-0.028	0.000	0.000	0.000	0.000
334	A	394	MET	0	-0.056	-0.002	9.388	-0.063	-0.063	0.000	0.000	0.000	0.000
335	A	395	LEU	0	-0.019	-0.019	13.218	-0.016	-0.016	0.000	0.000	0.000	0.000
336	A	396	ALA	0	0.035	0.021	16.699	-0.006	-0.006	0.000	0.000	0.000	0.000
337	A	397	ASN	0	0.029	0.013	13.483	0.005	0.005	0.000	0.000	0.000	0.000
338	A	398	HIS	0	0.002	0.003	16.797	-0.022	-0.022	0.000	0.000	0.000	0.000
339	A	399	LEU	0	-0.021	0.000	18.297	0.000	0.000	0.000	0.000	0.000	0.000
340	A	400	VAL	0	0.023	0.011	20.956	0.000	0.000	0.000	0.000	0.000	0.000
341	A	401	HIS	1	0.812	0.889	18.244	0.150	0.150	0.000	0.000	0.000	0.000
342	A	402	THR	0	-0.072	-0.037	21.362	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	403	LEU	0	-0.038	-0.015	23.624	0.005	0.005	0.000	0.000	0.000	0.000
344	A	404	CYS	0	-0.049	-0.012	25.448	0.003	0.003	0.000	0.000	0.000	0.000
345	A	405	PRO	0	0.052	0.032	24.099	-0.008	-0.008	0.000	0.000	0.000	0.000
346	A	406	ASP	-1	-0.845	-0.922	24.734	-0.094	-0.094	0.000	0.000	0.000	0.000
347	A	407	SER	0	-0.012	-0.013	24.572	0.000	0.000	0.000	0.000	0.000	0.000
348	A	408	ILE	0	-0.058	-0.028	21.705	-0.014	-0.014	0.000	0.000	0.000	0.000
349	A	409	THR	0	-0.014	-0.020	17.340	0.007	0.007	0.000	0.000	0.000	0.000
350	A	410	ILE	0	-0.005	-0.004	17.970	-0.026	-0.026	0.000	0.000	0.000	0.000
351	A	411	ALA	0	0.027	0.012	13.882	0.020	0.020	0.000	0.000	0.000	0.000
352	A	412	GLU	-1	-0.835	-0.916	15.882	-0.099	-0.099	0.000	0.000	0.000	0.000
353	A	413	ASP	-1	-0.780	-0.854	10.510	-0.286	-0.286	0.000	0.000	0.000	0.000
354	A	414	VAL	0	0.079	0.027	13.773	-0.039	-0.039	0.000	0.000	0.000	0.000
355	A	415	SER	0	-0.120	-0.068	9.383	-0.038	-0.038	0.000	0.000	0.000	0.000
356	A	416	GLY	0	0.011	0.010	9.709	-0.049	-0.049	0.000	0.000	0.000	0.000
357	A	417	MET	0	-0.026	0.006	4.729	-0.283	-0.151	-0.001	-0.006	-0.125	0.000
358	A	418	PRO	0	0.017	-0.005	2.813	-0.696	-0.003	0.140	-0.160	-0.673	0.000
359	A	419	ALA	0	0.050	0.023	4.628	-0.124	-0.032	-0.001	-0.005	-0.086	0.000
360	A	420	LEU	0	0.026	0.044	7.204	0.126	0.126	0.000	0.000	0.000	0.000
361	A	421	CYS	0	-0.079	-0.042	8.806	0.103	0.103	0.000	0.000	0.000	0.000
362	A	422	SER	0	0.024	0.010	9.624	-0.024	-0.024	0.000	0.000	0.000	0.000
363	A	423	PRO	0	0.046	0.005	11.663	0.017	0.017	0.000	0.000	0.000	0.000
364	A	424	ILE	0	0.061	0.051	11.047	-0.076	-0.076	0.000	0.000	0.000	0.000
365	A	425	SER	0	-0.054	-0.025	11.301	-0.035	-0.035	0.000	0.000	0.000	0.000
366	A	426	GLN	0	-0.036	-0.023	10.621	0.026	0.026	0.000	0.000	0.000	0.000
367	A	427	GLY	0	0.012	0.009	7.257	-0.171	-0.171	0.000	0.000	0.000	0.000
368	A	428	GLY	0	0.005	0.005	6.344	-0.231	-0.231	0.000	0.000	0.000	0.000
369	A	429	GLY	0	0.003	-0.018	8.445	0.106	0.106	0.000	0.000	0.000	0.000
370	A	430	GLY	0	-0.024	-0.021	9.883	0.080	0.080	0.000	0.000	0.000	0.000
371	A	431	PHE	0	-0.032	-0.006	12.063	0.039	0.039	0.000	0.000	0.000	0.000
372	A	432	ASP	-1	-0.833	-0.893	14.829	-0.209	-0.209	0.000	0.000	0.000	0.000
373	A	433	TYR	0	-0.031	-0.013	16.773	-0.012	-0.012	0.000	0.000	0.000	0.000
374	A	434	ARG	1	0.931	0.959	12.028	0.355	0.355	0.000	0.000	0.000	0.000
375	A	435	LEU	0	0.027	0.017	15.996	0.004	0.004	0.000	0.000	0.000	0.000
376	A	436	ALA	0	-0.010	0.000	17.034	-0.023	-0.023	0.000	0.000	0.000	0.000
377	A	437	MET	0	-0.022	-0.021	17.739	0.005	0.005	0.000	0.000	0.000	0.000
378	A	438	ALA	0	0.044	0.034	18.137	0.011	0.011	0.000	0.000	0.000	0.000
379	A	439	ILE	0	-0.042	-0.019	20.102	0.009	0.009	0.000	0.000	0.000	0.000
380	A	440	PRO	0	0.007	0.001	22.830	0.008	0.008	0.000	0.000	0.000	0.000
381	A	441	ASP	-1	-0.878	-0.925	20.676	-0.125	-0.125	0.000	0.000	0.000	0.000
382	A	442	LYS	1	0.809	0.896	23.829	0.138	0.138	0.000	0.000	0.000	0.000
383	A	443	TRP	0	0.008	-0.004	25.439	0.009	0.009	0.000	0.000	0.000	0.000
384	A	444	ILE	0	0.016	0.010	26.274	0.008	0.008	0.000	0.000	0.000	0.000
385	A	445	GLN	0	-0.038	-0.018	26.273	-0.003	-0.003	0.000	0.000	0.000	0.000
386	A	446	LEU	0	-0.036	-0.024	28.566	0.006	0.006	0.000	0.000	0.000	0.000
387	A	447	LEU	0	-0.030	-0.023	31.150	0.005	0.005	0.000	0.000	0.000	0.000
388	A	448	LYS	1	0.824	0.927	28.048	0.077	0.077	0.000	0.000	0.000	0.000
389	A	449	GLU	-1	-0.852	-0.925	28.892	-0.076	-0.076	0.000	0.000	0.000	0.000
390	A	450	PHE	0	-0.079	-0.021	29.521	0.000	0.000	0.000	0.000	0.000	0.000
391	A	451	LYS	1	0.854	0.912	34.754	0.056	0.056	0.000	0.000	0.000	0.000
392	A	452	ASP	-1	-0.740	-0.844	37.185	-0.062	-0.062	0.000	0.000	0.000	0.000
393	A	453	GLU	-1	-0.884	-0.964	37.986	-0.057	-0.057	0.000	0.000	0.000	0.000
394	A	454	ASP	-1	-0.830	-0.892	35.458	-0.063	-0.063	0.000	0.000	0.000	0.000
395	A	455	TRP	0	-0.039	-0.023	33.252	-0.008	-0.008	0.000	0.000	0.000	0.000
396	A	456	ASN	0	0.028	0.042	28.267	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	457	MET	0	0.025	0.017	30.218	-0.005	-0.005	0.000	0.000	0.000	0.000
398	A	458	GLY	0	-0.011	-0.016	29.072	-0.008	-0.008	0.000	0.000	0.000	0.000
399	A	459	ASP	-1	-0.843	-0.923	25.620	-0.149	-0.149	0.000	0.000	0.000	0.000
400	A	460	ILE	0	0.000	0.025	25.293	-0.013	-0.013	0.000	0.000	0.000	0.000
401	A	461	VAL	0	0.013	0.003	26.025	-0.009	-0.009	0.000	0.000	0.000	0.000
402	A	462	TYR	0	-0.035	-0.003	17.495	-0.015	-0.015	0.000	0.000	0.000	0.000
403	A	463	THR	0	-0.014	-0.034	21.284	-0.021	-0.021	0.000	0.000	0.000	0.000
404	A	464	LEU	0	0.007	0.016	21.058	-0.016	-0.016	0.000	0.000	0.000	0.000
405	A	465	THR	0	-0.011	-0.006	21.775	-0.011	-0.011	0.000	0.000	0.000	0.000
406	A	466	ASN	0	-0.067	-0.028	15.255	-0.025	-0.025	0.000	0.000	0.000	0.000
407	A	467	ARG	1	0.810	0.890	15.725	0.212	0.212	0.000	0.000	0.000	0.000
408	A	468	ARG	1	0.844	0.918	14.202	0.263	0.263	0.000	0.000	0.000	0.000
409	A	469	TYR	0	-0.017	-0.014	14.749	0.020	0.020	0.000	0.000	0.000	0.000
410	A	470	LEU	0	-0.018	-0.008	9.051	-0.040	-0.040	0.000	0.000	0.000	0.000
411	A	471	GLU	-1	-0.797	-0.890	9.425	-0.581	-0.581	0.000	0.000	0.000	0.000
412	A	472	LYS	1	0.813	0.912	13.879	0.241	0.241	0.000	0.000	0.000	0.000
413	A	473	CYS	0	-0.082	-0.041	16.409	-0.005	-0.005	0.000	0.000	0.000	0.000
414	A	474	ILE	0	0.007	0.006	18.383	0.015	0.015	0.000	0.000	0.000	0.000
415	A	475	ALA	0	0.024	0.008	21.394	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	476	TYR	0	0.025	-0.001	21.465	0.006	0.006	0.000	0.000	0.000	0.000
417	A	477	ALA	0	0.010	0.003	25.599	-0.005	-0.005	0.000	0.000	0.000	0.000
418	A	478	GLU	-1	-0.810	-0.920	28.184	-0.066	-0.066	0.000	0.000	0.000	0.000
419	A	479	SER	0	0.000	-0.014	25.616	0.000	0.000	0.000	0.000	0.000	0.000
420	A	480	HIS	1	0.864	0.911	24.264	0.070	0.070	0.000	0.000	0.000	0.000
421	A	481	ASP	-1	-0.846	-0.908	25.576	-0.053	-0.053	0.000	0.000	0.000	0.000
422	A	482	GLN	0	0.070	0.046	27.672	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	483	ALA	0	-0.029	-0.002	30.685	0.002	0.002	0.000	0.000	0.000	0.000
424	A	484	LEU	0	-0.007	0.000	30.309	0.005	0.005	0.000	0.000	0.000	0.000
425	A	485	VAL	0	-0.038	-0.025	33.996	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	486	GLY	0	-0.034	-0.018	34.834	0.002	0.002	0.000	0.000	0.000	0.000
427	A	487	ASP	-1	-0.875	-0.917	29.754	-0.058	-0.058	0.000	0.000	0.000	0.000
428	A	488	LYS	1	0.765	0.870	32.646	0.046	0.046	0.000	0.000	0.000	0.000
429	A	489	SER	0	0.087	0.048	32.683	-0.005	-0.005	0.000	0.000	0.000	0.000
430	A	490	LEU	0	-0.044	-0.040	30.800	0.002	0.002	0.000	0.000	0.000	0.000
431	A	491	ALA	0	0.027	0.016	34.615	0.001	0.001	0.000	0.000	0.000	0.000
432	A	492	PHE	0	0.055	0.020	37.600	0.002	0.002	0.000	0.000	0.000	0.000
433	A	493	TRP	0	-0.004	-0.008	31.903	0.003	0.003	0.000	0.000	0.000	0.000
434	A	494	LEU	0	-0.096	-0.034	36.651	0.001	0.001	0.000	0.000	0.000	0.000
435	A	495	MET	0	-0.037	-0.015	39.160	0.001	0.001	0.000	0.000	0.000	0.000
436	A	496	ASP	-1	-0.836	-0.901	41.227	-0.034	-0.034	0.000	0.000	0.000	0.000
437	A	497	ALA	0	0.028	-0.008	42.543	0.001	0.001	0.000	0.000	0.000	0.000
438	A	498	GLU	-1	-0.783	-0.863	46.009	-0.033	-0.033	0.000	0.000	0.000	0.000
439	A	499	MET	0	-0.074	-0.003	40.070	0.001	0.001	0.000	0.000	0.000	0.000
440	A	500	TYR	0	-0.005	-0.014	42.302	0.001	0.001	0.000	0.000	0.000	0.000
441	A	501	THR	0	-0.041	-0.029	48.443	0.001	0.001	0.000	0.000	0.000	0.000
442	A	502	ASN	0	-0.013	0.000	49.953	0.002	0.002	0.000	0.000	0.000	0.000
443	A	503	MET	0	0.038	0.031	45.442	-0.002	-0.002	0.000	0.000	0.000	0.000
444	A	504	SER	0	0.000	0.013	49.180	0.000	0.000	0.000	0.000	0.000	0.000
445	A	505	VAL	0	-0.028	-0.022	52.285	0.000	0.000	0.000	0.000	0.000	0.000
446	A	506	LEU	0	-0.043	-0.009	54.098	0.000	0.000	0.000	0.000	0.000	0.000
447	A	507	THR	0	-0.015	-0.010	53.686	0.001	0.001	0.000	0.000	0.000	0.000
448	A	508	PRO	0	0.024	0.004	54.820	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	509	PHE	0	0.015	0.019	48.029	0.000	0.000	0.000	0.000	0.000	0.000
450	A	510	THR	0	-0.034	-0.048	49.835	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	511	PRO	0	0.025	-0.008	48.824	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	512	VAL	0	0.010	0.026	44.605	-0.003	-0.003	0.000	0.000	0.000	0.000
453	A	513	ILE	0	-0.001	-0.005	44.711	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	514	ASP	-1	-0.831	-0.885	45.332	-0.049	-0.049	0.000	0.000	0.000	0.000
455	A	515	ARG	1	0.853	0.905	38.583	0.053	0.053	0.000	0.000	0.000	0.000
456	A	516	GLY	0	0.030	0.005	40.801	-0.003	-0.003	0.000	0.000	0.000	0.000
457	A	517	ILE	0	0.011	-0.006	40.454	-0.003	-0.003	0.000	0.000	0.000	0.000
458	A	518	GLN	0	-0.032	-0.022	41.185	-0.005	-0.005	0.000	0.000	0.000	0.000
459	A	519	LEU	0	0.021	-0.009	37.257	-0.004	-0.004	0.000	0.000	0.000	0.000
460	A	520	HIS	0	0.013	0.015	35.122	-0.004	-0.004	0.000	0.000	0.000	0.000
461	A	521	LYS	1	0.744	0.877	36.081	0.052	0.052	0.000	0.000	0.000	0.000
462	A	522	MET	0	-0.062	-0.015	36.006	-0.004	-0.004	0.000	0.000	0.000	0.000
463	A	523	ILE	0	0.030	0.009	31.073	-0.006	-0.006	0.000	0.000	0.000	0.000
464	A	524	ARG	1	0.789	0.891	31.102	0.061	0.061	0.000	0.000	0.000	0.000
465	A	525	LEU	0	0.029	0.011	31.320	-0.007	-0.007	0.000	0.000	0.000	0.000
466	A	526	ILE	0	-0.042	-0.016	29.687	-0.006	-0.006	0.000	0.000	0.000	0.000
467	A	527	THR	0	-0.006	-0.019	26.073	-0.012	-0.012	0.000	0.000	0.000	0.000
468	A	528	HIS	0	-0.017	-0.020	26.978	-0.015	-0.015	0.000	0.000	0.000	0.000
469	A	529	GLY	0	0.014	0.014	28.571	-0.005	-0.005	0.000	0.000	0.000	0.000
470	A	530	LEU	0	-0.050	-0.027	25.855	-0.007	-0.007	0.000	0.000	0.000	0.000
471	A	531	GLY	0	0.014	0.012	24.061	-0.013	-0.013	0.000	0.000	0.000	0.000
472	A	532	GLY	0	0.006	-0.007	21.759	-0.016	-0.016	0.000	0.000	0.000	0.000
473	A	533	GLU	-1	-0.774	-0.872	19.793	-0.227	-0.227	0.000	0.000	0.000	0.000
474	A	534	GLY	0	0.009	-0.007	23.021	0.007	0.007	0.000	0.000	0.000	0.000
475	A	535	TYR	0	-0.028	0.000	24.505	-0.009	-0.009	0.000	0.000	0.000	0.000
476	A	536	LEU	0	-0.021	-0.002	24.392	0.004	0.004	0.000	0.000	0.000	0.000
477	A	537	ASN	0	-0.007	-0.021	27.447	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	538	PHE	0	0.017	0.019	29.877	0.002	0.002	0.000	0.000	0.000	0.000
479	A	539	MET	0	0.015	0.013	31.386	0.003	0.003	0.000	0.000	0.000	0.000
480	A	540	GLY	0	0.024	0.023	34.864	0.004	0.004	0.000	0.000	0.000	0.000
481	A	541	ASN	0	0.005	-0.005	32.062	0.006	0.006	0.000	0.000	0.000	0.000
482	A	542	GLU	-1	-0.721	-0.815	35.612	-0.056	-0.056	0.000	0.000	0.000	0.000
483	A	543	PHE	0	-0.027	-0.033	36.628	0.000	0.000	0.000	0.000	0.000	0.000
484	A	544	GLY	0	0.015	-0.003	38.298	0.002	0.002	0.000	0.000	0.000	0.000
485	A	545	HIS	0	-0.051	-0.022	38.740	0.004	0.004	0.000	0.000	0.000	0.000
486	A	546	PRO	0	0.007	0.002	39.606	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	547	GLU	-1	-0.834	-0.909	41.154	-0.027	-0.027	0.000	0.000	0.000	0.000
488	A	548	TRP	0	-0.024	-0.006	37.642	-0.002	-0.002	0.000	0.000	0.000	0.000
489	A	549	LEU	0	-0.030	0.006	33.784	0.001	0.001	0.000	0.000	0.000	0.000
490	A	550	ASP	-1	-0.771	-0.856	36.657	-0.017	-0.017	0.000	0.000	0.000	0.000
491	A	551	PHE	0	0.013	0.000	34.556	0.000	0.000	0.000	0.000	0.000	0.000
492	A	552	PRO	0	-0.049	0.018	38.806	0.001	0.001	0.000	0.000	0.000	0.000
493	A	553	ARG	1	0.878	0.899	37.297	0.014	0.014	0.000	0.000	0.000	0.000
494	A	554	LYS	1	1.026	1.000	39.931	-0.011	-0.011	0.000	0.000	0.000	0.000
495	A	555	GLY	0	-0.024	-0.011	40.100	0.000	0.000	0.000	0.000	0.000	0.000
496	A	556	ASN	0	-0.045	-0.044	40.988	0.000	0.000	0.000	0.000	0.000	0.000
497	A	557	ASN	0	-0.068	-0.038	43.357	0.001	0.001	0.000	0.000	0.000	0.000
498	A	558	GLU	-1	-0.888	-0.945	42.313	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	559	SER	0	-0.014	-0.001	44.347	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	560	TYR	0	0.061	0.009	42.799	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	561	HIS	0	-0.050	-0.015	44.229	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	562	TYR	0	0.019	0.000	40.905	0.000	0.000	0.000	0.000	0.000	0.000
503	A	563	ALA	0	0.013	0.024	39.661	-0.002	-0.002	0.000	0.000	0.000	0.000
504	A	564	ARG	1	0.752	0.873	40.728	0.025	0.025	0.000	0.000	0.000	0.000
505	A	565	ARG	1	0.855	0.903	35.742	0.042	0.042	0.000	0.000	0.000	0.000
506	A	566	GLN	0	-0.022	-0.026	41.478	0.003	0.003	0.000	0.000	0.000	0.000
507	A	567	PHE	0	-0.006	-0.014	39.073	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	568	HIS	0	0.056	0.031	44.294	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	569	LEU	0	-0.012	-0.005	44.394	0.000	0.000	0.000	0.000	0.000	0.000
510	A	570	THR	0	-0.060	-0.045	43.080	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	571	ASP	-1	-0.880	-0.906	46.442	-0.036	-0.036	0.000	0.000	0.000	0.000
512	A	572	ASP	-1	-0.842	-0.916	49.701	-0.027	-0.027	0.000	0.000	0.000	0.000
513	A	573	ASP	-1	-0.814	-0.903	51.480	-0.034	-0.034	0.000	0.000	0.000	0.000
514	A	574	LEU	0	-0.039	-0.009	53.538	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	575	LEU	0	-0.040	-0.002	49.275	0.000	0.000	0.000	0.000	0.000	0.000
516	A	576	ARG	1	0.851	0.901	47.704	0.033	0.033	0.000	0.000	0.000	0.000
517	A	577	TYR	0	0.067	0.025	43.292	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	578	LYS	1	0.839	0.904	43.963	0.032	0.032	0.000	0.000	0.000	0.000
519	A	579	PHE	0	-0.031	0.000	45.439	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	580	LEU	0	-0.033	-0.001	40.072	-0.003	-0.003	0.000	0.000	0.000	0.000
521	A	581	ASN	0	0.039	0.009	40.349	-0.004	-0.004	0.000	0.000	0.000	0.000
522	A	582	ASN	0	-0.046	-0.021	41.398	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	583	PHE	0	0.042	0.026	36.691	-0.002	-0.002	0.000	0.000	0.000	0.000
524	A	584	ASP	-1	-0.761	-0.860	35.273	-0.077	-0.077	0.000	0.000	0.000	0.000
525	A	585	ARG	1	0.880	0.955	37.408	0.044	0.044	0.000	0.000	0.000	0.000
526	A	586	ASP	-1	-0.805	-0.895	39.453	-0.056	-0.056	0.000	0.000	0.000	0.000
527	A	587	MET	0	-0.023	0.014	33.816	-0.004	-0.004	0.000	0.000	0.000	0.000
528	A	588	ASN	0	-0.010	-0.016	33.234	-0.010	-0.010	0.000	0.000	0.000	0.000
529	A	589	ARG	1	0.843	0.922	35.655	0.052	0.052	0.000	0.000	0.000	0.000
530	A	590	LEU	0	-0.039	-0.005	37.475	0.000	0.000	0.000	0.000	0.000	0.000
531	A	591	GLU	-1	-0.732	-0.837	30.570	-0.110	-0.110	0.000	0.000	0.000	0.000
532	A	592	GLU	-1	-0.855	-0.916	34.202	-0.084	-0.084	0.000	0.000	0.000	0.000
533	A	593	ARG	1	0.875	0.946	35.675	0.065	0.065	0.000	0.000	0.000	0.000
534	A	594	TYR	0	-0.002	-0.025	35.406	0.002	0.002	0.000	0.000	0.000	0.000
535	A	595	GLY	0	-0.022	-0.003	31.997	-0.004	-0.004	0.000	0.000	0.000	0.000
536	A	596	TRP	0	-0.016	-0.032	29.357	-0.004	-0.004	0.000	0.000	0.000	0.000
537	A	597	LEU	0	-0.053	-0.006	26.065	-0.009	-0.009	0.000	0.000	0.000	0.000
538	A	598	ALA	0	0.002	0.011	25.582	-0.014	-0.014	0.000	0.000	0.000	0.000
539	A	599	ALA	0	-0.003	0.002	26.750	0.007	0.007	0.000	0.000	0.000	0.000
540	A	600	PRO	0	0.011	0.003	24.738	-0.011	-0.011	0.000	0.000	0.000	0.000
541	A	601	GLN	0	0.024	0.014	20.976	0.005	0.005	0.000	0.000	0.000	0.000
542	A	602	ALA	0	0.007	0.008	24.719	0.003	0.003	0.000	0.000	0.000	0.000
543	A	603	TYR	0	-0.005	0.007	27.360	-0.010	-0.010	0.000	0.000	0.000	0.000
544	A	604	VAL	0	-0.013	-0.022	27.994	0.008	0.008	0.000	0.000	0.000	0.000
545	A	605	SER	0	0.008	0.012	30.630	-0.002	-0.002	0.000	0.000	0.000	0.000
546	A	606	GLU	-1	-0.815	-0.888	33.874	-0.078	-0.078	0.000	0.000	0.000	0.000
547	A	607	LYS	1	0.965	0.975	27.399	0.144	0.144	0.000	0.000	0.000	0.000
548	A	608	HIS	0	0.047	0.049	33.477	-0.003	-0.003	0.000	0.000	0.000	0.000
549	A	609	GLU	-1	-0.741	-0.881	32.532	-0.095	-0.095	0.000	0.000	0.000	0.000
550	A	610	GLY	0	-0.041	-0.015	36.462	0.003	0.003	0.000	0.000	0.000	0.000
551	A	611	ASN	0	-0.038	-0.040	40.067	0.006	0.006	0.000	0.000	0.000	0.000
552	A	612	LYS	1	0.811	0.908	35.333	0.083	0.083	0.000	0.000	0.000	0.000
553	A	613	ILE	0	0.021	0.031	37.852	0.000	0.000	0.000	0.000	0.000	0.000
554	A	614	ILE	0	-0.022	-0.023	31.304	-0.006	-0.006	0.000	0.000	0.000	0.000
555	A	615	ALA	0	-0.005	0.003	34.292	0.004	0.004	0.000	0.000	0.000	0.000
556	A	616	PHE	0	0.000	-0.009	30.832	-0.008	-0.008	0.000	0.000	0.000	0.000
557	A	617	GLU	-1	-0.721	-0.809	32.119	-0.095	-0.095	0.000	0.000	0.000	0.000
558	A	618	ARG	1	0.783	0.872	24.681	0.149	0.149	0.000	0.000	0.000	0.000
559	A	619	ALA	0	0.005	-0.003	31.048	0.006	0.006	0.000	0.000	0.000	0.000
560	A	620	GLY	0	-0.003	0.008	32.756	0.005	0.005	0.000	0.000	0.000	0.000
561	A	621	LEU	0	-0.036	-0.002	34.843	0.006	0.006	0.000	0.000	0.000	0.000
562	A	622	LEU	0	0.010	-0.001	35.228	-0.007	-0.007	0.000	0.000	0.000	0.000
563	A	623	PHE	0	-0.007	-0.004	32.968	0.005	0.005	0.000	0.000	0.000	0.000
564	A	624	ILE	0	0.007	-0.007	36.136	-0.003	-0.003	0.000	0.000	0.000	0.000
565	A	625	PHE	0	-0.003	0.004	33.992	0.002	0.002	0.000	0.000	0.000	0.000
566	A	626	ASN	0	-0.007	-0.016	37.731	-0.003	-0.003	0.000	0.000	0.000	0.000
567	A	627	PHE	0	0.039	0.003	33.700	0.002	0.002	0.000	0.000	0.000	0.000
568	A	628	HIS	0	0.050	0.045	38.548	0.003	0.003	0.000	0.000	0.000	0.000
569	A	629	PRO	0	0.009	0.001	40.720	0.002	0.002	0.000	0.000	0.000	0.000
570	A	630	SER	0	-0.019	-0.008	43.291	0.003	0.003	0.000	0.000	0.000	0.000
571	A	631	LYS	1	0.917	0.970	44.644	0.054	0.054	0.000	0.000	0.000	0.000
572	A	632	SER	0	0.041	0.025	45.545	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	633	TYR	0	-0.082	-0.051	42.889	0.003	0.003	0.000	0.000	0.000	0.000
574	A	634	THR	0	0.013	0.008	48.044	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	635	ASP	-1	-0.865	-0.931	49.719	-0.048	-0.048	0.000	0.000	0.000	0.000
576	A	636	TYR	0	-0.083	-0.059	40.514	0.001	0.001	0.000	0.000	0.000	0.000
577	A	637	ARG	1	0.830	0.879	43.998	0.060	0.060	0.000	0.000	0.000	0.000
578	A	638	VAL	0	-0.028	-0.013	38.977	-0.003	-0.003	0.000	0.000	0.000	0.000
579	A	639	GLY	0	0.015	0.013	39.534	0.002	0.002	0.000	0.000	0.000	0.000
580	A	640	THR	0	-0.056	-0.063	37.952	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	641	ALA	0	-0.022	-0.037	35.892	0.001	0.001	0.000	0.000	0.000	0.000
582	A	642	LEU	0	-0.031	-0.003	38.005	0.001	0.001	0.000	0.000	0.000	0.000
583	A	643	PRO	0	0.038	0.040	41.299	0.001	0.001	0.000	0.000	0.000	0.000
584	A	644	GLY	0	0.017	0.008	45.072	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	645	LYS	1	0.845	0.926	47.756	0.050	0.050	0.000	0.000	0.000	0.000
586	A	646	PHE	0	0.012	0.004	40.442	-0.002	-0.002	0.000	0.000	0.000	0.000
587	A	647	LYS	1	0.777	0.860	45.109	0.053	0.053	0.000	0.000	0.000	0.000
588	A	648	ILE	0	0.024	0.017	44.067	-0.003	-0.003	0.000	0.000	0.000	0.000
589	A	649	VAL	0	-0.057	-0.030	40.510	0.002	0.002	0.000	0.000	0.000	0.000
590	A	650	LEU	0	-0.006	-0.004	38.273	0.000	0.000	0.000	0.000	0.000	0.000
591	A	651	ASP	-1	-0.722	-0.864	42.013	-0.058	-0.058	0.000	0.000	0.000	0.000
592	A	652	SER	0	0.029	0.010	40.512	0.001	0.001	0.000	0.000	0.000	0.000
593	A	653	ASP	-1	-0.760	-0.855	42.531	-0.047	-0.047	0.000	0.000	0.000	0.000
594	A	654	ALA	0	0.035	0.045	45.999	0.003	0.003	0.000	0.000	0.000	0.000
595	A	655	ALA	0	0.034	0.016	47.616	0.000	0.000	0.000	0.000	0.000	0.000
596	A	656	GLU	-1	-0.852	-0.928	47.863	-0.044	-0.044	0.000	0.000	0.000	0.000
597	A	657	TYR	0	-0.073	-0.058	43.551	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	658	GLY	0	0.011	0.015	44.869	-0.002	-0.002	0.000	0.000	0.000	0.000
599	A	659	GLY	0	-0.021	-0.008	47.066	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	660	HIS	0	-0.097	-0.079	47.736	0.003	0.003	0.000	0.000	0.000	0.000
601	A	661	GLN	0	-0.050	-0.026	49.984	0.000	0.000	0.000	0.000	0.000	0.000
602	A	662	ARG	1	0.824	0.885	46.700	0.050	0.050	0.000	0.000	0.000	0.000
603	A	663	LEU	0	-0.037	-0.013	46.505	0.000	0.000	0.000	0.000	0.000	0.000
604	A	664	ASP	-1	-0.803	-0.860	50.665	-0.042	-0.042	0.000	0.000	0.000	0.000
605	A	665	HIS	0	-0.033	-0.038	47.889	0.000	0.000	0.000	0.000	0.000	0.000
606	A	666	SER	0	-0.082	-0.053	50.450	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	667	THR	0	0.014	-0.004	50.985	0.001	0.001	0.000	0.000	0.000	0.000
608	A	668	ASP	-1	-0.836	-0.891	50.764	-0.049	-0.049	0.000	0.000	0.000	0.000
609	A	669	PHE	0	0.019	0.016	47.270	0.001	0.001	0.000	0.000	0.000	0.000
610	A	670	PHE	0	0.004	-0.018	48.630	-0.001	-0.001	0.000	0.000	0.000	0.000
611	A	671	SER	0	-0.054	-0.020	43.716	0.000	0.000	0.000	0.000	0.000	0.000
612	A	672	GLU	-1	-0.813	-0.896	46.648	-0.055	-0.055	0.000	0.000	0.000	0.000
613	A	673	ALA	0	0.002	-0.011	46.330	-0.003	-0.003	0.000	0.000	0.000	0.000
614	A	674	PHE	0	-0.046	-0.022	46.170	0.002	0.002	0.000	0.000	0.000	0.000
615	A	675	GLU	-1	-0.932	-0.939	39.941	-0.084	-0.084	0.000	0.000	0.000	0.000
616	A	676	HIS	0	0.005	-0.007	40.464	0.001	0.001	0.000	0.000	0.000	0.000
617	A	677	ASN	0	-0.045	-0.043	36.235	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	678	GLY	0	0.030	0.026	35.541	-0.006	-0.006	0.000	0.000	0.000	0.000
619	A	679	ARG	1	0.737	0.873	34.010	0.104	0.104	0.000	0.000	0.000	0.000
620	A	680	PRO	0	0.013	0.004	37.949	0.003	0.003	0.000	0.000	0.000	0.000
621	A	681	TYR	0	0.004	0.009	40.890	0.006	0.006	0.000	0.000	0.000	0.000
622	A	682	SER	0	0.022	0.001	41.629	-0.003	-0.003	0.000	0.000	0.000	0.000
623	A	683	LEU	0	0.012	0.028	43.265	0.003	0.003	0.000	0.000	0.000	0.000
624	A	684	LEU	0	-0.012	-0.001	45.200	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	685	VAL	0	-0.022	-0.019	43.209	0.001	0.001	0.000	0.000	0.000	0.000
626	A	686	TYR	0	0.017	0.022	46.674	0.000	0.000	0.000	0.000	0.000	0.000
627	A	687	ILE	0	-0.006	-0.015	41.716	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	688	PRO	0	0.043	0.009	45.431	0.000	0.000	0.000	0.000	0.000	0.000
629	A	689	SER	0	-0.054	-0.035	44.085	-0.002	-0.002	0.000	0.000	0.000	0.000
630	A	690	ARG	1	0.801	0.893	41.083	0.056	0.056	0.000	0.000	0.000	0.000
631	A	691	VAL	0	0.049	0.028	41.821	0.002	0.002	0.000	0.000	0.000	0.000
632	A	692	ALA	0	-0.006	-0.012	37.557	-0.004	-0.004	0.000	0.000	0.000	0.000
633	A	693	LEU	0	-0.007	0.006	39.380	0.003	0.003	0.000	0.000	0.000	0.000
634	A	694	ILE	0	0.001	0.002	35.912	-0.005	-0.005	0.000	0.000	0.000	0.000
635	A	695	LEU	0	0.020	0.009	39.302	0.005	0.005	0.000	0.000	0.000	0.000
636	A	696	GLN	0	0.024	0.020	39.773	-0.004	-0.004	0.000	0.000	0.000	0.000
637	A	697	ASN	0	-0.031	-0.014	41.198	0.004	0.004	0.000	0.000	0.000	0.000
638	A	698	VAL	0	-0.023	-0.020	43.105	0.000	0.000	0.000	0.000	0.000	0.000
639	A	699	ASP	-1	-0.881	-0.932	46.221	-0.058	-0.058	0.000	0.000	0.000	0.000
640	A	700	LEU	0	-0.063	-0.030	48.903	0.002	0.002	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:43:VAL)