FMO DATABASE

FMODB ID: 1N5MZ

Calculation Name: 4N5C-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4N5C

Chain ID: A

ChEMBL ID:

UniProt ID: P46951

Base Structure: X-ray

Registration Date: 2023-09-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	760
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-20041617.725166
FMO2-HF: Nuclear repulsion	19729918.106762
FMO2-HF: Total energy	-311699.618404
FMO2-MP2: Total energy	-312609.431061

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:14:SER)

Summations of interaction energy for fragment #1(A:14:SER)

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.
-14.003	-10.112	1.516	-2.249	-3.159	-0.004

Interaction energy analysis for fragmet #1(A:14:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.021 / q_NPA : -0.004

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	16	ILE	0	0.038	0.016	3.780	-2.754	-0.877	-0.014	-0.859	-1.005	0.002
4	A	17	ILE	0	0.012	0.001	2.455	-1.399	-0.159	1.516	-0.995	-1.760	-0.003
5	A	18	ASP	-1	-0.817	-0.900	3.533	-10.395	-9.621	0.014	-0.395	-0.394	-0.003
6	A	19	VAL	0	-0.044	-0.015	5.741	0.941	0.941	0.000	0.000	0.000	0.000
7	A	20	VAL	0	0.022	0.013	8.199	0.317	0.317	0.000	0.000	0.000	0.000
8	A	21	ASP	-1	-0.849	-0.930	5.895	-3.089	-3.089	0.000	0.000	0.000	0.000
9	A	22	GLN	0	0.013	0.006	9.091	0.356	0.356	0.000	0.000	0.000	0.000
10	A	23	ALA	0	0.003	0.008	11.460	0.242	0.242	0.000	0.000	0.000	0.000
11	A	24	LEU	0	0.007	-0.010	11.033	0.179	0.179	0.000	0.000	0.000	0.000
12	A	25	ARG	1	0.923	0.961	9.639	1.733	1.733	0.000	0.000	0.000	0.000
13	A	26	ALA	0	0.055	0.019	14.748	0.119	0.119	0.000	0.000	0.000	0.000
14	A	27	ARG	1	0.779	0.913	16.920	0.513	0.513	0.000	0.000	0.000	0.000
15	A	28	LEU	0	-0.058	-0.031	15.633	0.072	0.072	0.000	0.000	0.000	0.000
16	A	29	LEU	0	-0.029	-0.010	18.607	0.057	0.057	0.000	0.000	0.000	0.000
17	A	30	GLY	0	-0.034	-0.015	21.196	0.045	0.045	0.000	0.000	0.000	0.000
18	A	31	GLY	0	-0.032	-0.005	20.715	0.030	0.030	0.000	0.000	0.000	0.000
19	A	32	SER	0	0.011	-0.014	21.778	0.016	0.016	0.000	0.000	0.000	0.000
20	A	33	THR	0	-0.032	-0.016	20.851	0.029	0.029	0.000	0.000	0.000	0.000
21	A	34	PHE	0	-0.040	-0.023	17.507	-0.051	-0.051	0.000	0.000	0.000	0.000
22	A	35	ASN	0	0.035	0.017	16.166	0.071	0.071	0.000	0.000	0.000	0.000
23	A	36	SER	0	-0.014	-0.026	12.994	-0.117	-0.117	0.000	0.000	0.000	0.000
24	A	37	GLY	0	-0.004	0.007	11.516	-0.121	-0.121	0.000	0.000	0.000	0.000
25	A	38	PHE	0	-0.020	-0.016	10.546	0.082	0.082	0.000	0.000	0.000	0.000
26	A	39	ASP	-1	-0.800	-0.891	14.808	-0.207	-0.207	0.000	0.000	0.000	0.000
27	A	40	SER	0	-0.011	-0.016	17.355	-0.029	-0.029	0.000	0.000	0.000	0.000
28	A	41	LEU	0	-0.007	-0.013	13.229	-0.004	-0.004	0.000	0.000	0.000	0.000
29	A	42	ASP	-1	-0.764	-0.881	16.793	-0.462	-0.462	0.000	0.000	0.000	0.000
30	A	43	SER	0	-0.017	-0.013	18.789	0.003	0.003	0.000	0.000	0.000	0.000
31	A	44	VAL	0	-0.013	-0.007	19.258	0.008	0.008	0.000	0.000	0.000	0.000
32	A	45	LEU	0	-0.003	0.002	16.081	0.003	0.003	0.000	0.000	0.000	0.000
33	A	46	ASN	0	-0.010	-0.002	20.735	0.026	0.026	0.000	0.000	0.000	0.000
34	A	47	LEU	0	0.001	0.001	23.583	0.012	0.012	0.000	0.000	0.000	0.000
35	A	48	GLN	0	0.069	0.023	21.047	-0.030	-0.030	0.000	0.000	0.000	0.000
36	A	49	PHE	0	0.003	0.016	23.710	0.007	0.007	0.000	0.000	0.000	0.000
37	A	50	ARG	1	0.867	0.925	25.297	0.202	0.202	0.000	0.000	0.000	0.000
38	A	51	LEU	0	-0.032	-0.014	27.856	0.015	0.015	0.000	0.000	0.000	0.000
39	A	52	HIS	0	0.029	0.009	23.835	-0.002	-0.002	0.000	0.000	0.000	0.000
40	A	53	TYR	0	0.045	0.034	28.511	0.011	0.011	0.000	0.000	0.000	0.000
41	A	54	HIS	0	-0.068	-0.060	30.616	0.018	0.018	0.000	0.000	0.000	0.000
42	A	55	VAL	0	-0.068	-0.038	31.104	0.009	0.009	0.000	0.000	0.000	0.000
43	A	56	ILE	0	-0.011	0.006	28.242	0.005	0.005	0.000	0.000	0.000	0.000
44	A	57	GLY	0	-0.003	0.021	31.694	0.004	0.004	0.000	0.000	0.000	0.000
45	A	58	SER	0	-0.062	-0.030	34.297	0.011	0.011	0.000	0.000	0.000	0.000
46	A	59	ASN	0	0.032	-0.005	36.274	-0.007	-0.007	0.000	0.000	0.000	0.000
47	A	60	GLY	0	-0.018	-0.007	37.597	-0.001	-0.001	0.000	0.000	0.000	0.000
48	A	61	PRO	0	0.030	0.038	35.150	0.003	0.003	0.000	0.000	0.000	0.000
49	A	62	ALA	0	0.050	0.017	37.757	0.007	0.007	0.000	0.000	0.000	0.000
50	A	63	LYS	1	1.016	0.983	39.699	0.081	0.081	0.000	0.000	0.000	0.000
51	A	64	PRO	0	0.036	0.037	40.734	0.001	0.001	0.000	0.000	0.000	0.000
52	A	65	VAL	0	0.044	0.013	35.176	0.000	0.000	0.000	0.000	0.000	0.000
53	A	66	CYS	0	-0.036	-0.023	35.831	-0.006	-0.006	0.000	0.000	0.000	0.000
54	A	67	ASP	-1	-0.893	-0.933	36.310	-0.090	-0.090	0.000	0.000	0.000	0.000
55	A	68	VAL	0	-0.047	-0.020	35.081	0.002	0.002	0.000	0.000	0.000	0.000
56	A	69	LEU	0	0.095	0.048	30.400	0.000	0.000	0.000	0.000	0.000	0.000
57	A	70	LEU	0	-0.012	0.047	31.695	-0.005	-0.005	0.000	0.000	0.000	0.000
58	A	71	LYS	1	0.919	0.958	33.039	0.084	0.084	0.000	0.000	0.000	0.000
59	A	72	GLU	-1	-0.798	-0.875	28.797	-0.158	-0.158	0.000	0.000	0.000	0.000
60	A	73	SER	0	0.012	-0.048	28.490	-0.006	-0.006	0.000	0.000	0.000	0.000
61	A	74	GLN	0	-0.038	-0.018	28.762	0.005	0.005	0.000	0.000	0.000	0.000
62	A	75	ASN	0	-0.089	-0.051	30.474	0.013	0.013	0.000	0.000	0.000	0.000
63	A	76	LEU	0	0.033	0.039	23.654	0.009	0.009	0.000	0.000	0.000	0.000
64	A	77	GLU	-1	-0.922	-0.978	25.790	-0.079	-0.079	0.000	0.000	0.000	0.000
65	A	78	LYS	1	0.967	0.972	26.660	0.063	0.063	0.000	0.000	0.000	0.000
66	A	79	ASN	0	-0.100	-0.062	27.556	0.020	0.020	0.000	0.000	0.000	0.000
67	A	80	MET	0	-0.016	-0.003	22.411	0.003	0.003	0.000	0.000	0.000	0.000
68	A	81	SER	0	-0.030	0.000	23.156	0.013	0.013	0.000	0.000	0.000	0.000
69	A	82	MET	0	-0.058	-0.029	24.707	0.014	0.014	0.000	0.000	0.000	0.000
70	A	83	MET	0	-0.023	-0.003	21.030	0.013	0.013	0.000	0.000	0.000	0.000
71	A	84	GLU	-1	-0.912	-0.969	20.428	0.091	0.091	0.000	0.000	0.000	0.000
72	A	85	GLU	-1	-0.886	-0.933	16.616	0.041	0.041	0.000	0.000	0.000	0.000
73	A	86	LEU	0	-0.035	-0.030	15.315	0.005	0.005	0.000	0.000	0.000	0.000
74	A	87	ASN	0	-0.042	-0.010	15.082	-0.003	-0.003	0.000	0.000	0.000	0.000
75	A	88	ASP	-1	-0.933	-0.964	13.197	0.430	0.430	0.000	0.000	0.000	0.000
76	A	89	TYR	0	-0.069	-0.038	7.337	0.218	0.218	0.000	0.000	0.000	0.000
77	A	90	PRO	0	0.030	0.005	12.311	-0.106	-0.106	0.000	0.000	0.000	0.000
78	A	91	GLU	-1	-1.012	-1.005	8.315	-0.218	-0.218	0.000	0.000	0.000	0.000
79	A	92	ILE	0	0.031	0.011	8.703	-0.084	-0.084	0.000	0.000	0.000	0.000
80	A	93	THR	0	0.039	0.029	12.735	-0.042	-0.042	0.000	0.000	0.000	0.000
81	A	94	LYS	1	0.984	0.990	15.958	0.106	0.106	0.000	0.000	0.000	0.000
82	A	95	LEU	0	0.010	0.009	13.214	0.005	0.005	0.000	0.000	0.000	0.000
83	A	96	VAL	0	0.027	0.008	16.031	0.002	0.002	0.000	0.000	0.000	0.000
84	A	97	GLU	-1	-0.924	-0.965	18.347	-0.105	-0.105	0.000	0.000	0.000	0.000
85	A	98	LYS	1	0.809	0.897	16.766	0.387	0.387	0.000	0.000	0.000	0.000
86	A	99	ILE	0	0.011	0.012	17.532	0.018	0.018	0.000	0.000	0.000	0.000
87	A	100	LEU	0	0.035	0.026	21.701	0.018	0.018	0.000	0.000	0.000	0.000
88	A	101	PHE	0	-0.001	-0.013	24.191	0.019	0.019	0.000	0.000	0.000	0.000
89	A	102	ASN	0	0.011	0.016	24.259	0.033	0.033	0.000	0.000	0.000	0.000
90	A	103	CYS	0	-0.018	-0.005	24.972	0.010	0.010	0.000	0.000	0.000	0.000
91	A	104	LEU	0	-0.013	-0.009	27.816	0.015	0.015	0.000	0.000	0.000	0.000
92	A	105	GLY	0	0.004	-0.002	29.560	0.013	0.013	0.000	0.000	0.000	0.000
93	A	106	ILE	0	-0.009	0.002	28.764	0.013	0.013	0.000	0.000	0.000	0.000
94	A	107	LEU	0	0.013	0.005	31.084	0.013	0.013	0.000	0.000	0.000	0.000
95	A	108	PHE	0	-0.014	-0.017	33.220	0.012	0.012	0.000	0.000	0.000	0.000
96	A	109	PHE	0	-0.021	-0.003	35.021	0.009	0.009	0.000	0.000	0.000	0.000
97	A	110	HIS	0	-0.009	-0.007	34.268	0.014	0.014	0.000	0.000	0.000	0.000
98	A	111	ARG	1	0.786	0.893	37.640	0.102	0.102	0.000	0.000	0.000	0.000
99	A	112	GLY	0	-0.003	0.012	39.810	0.006	0.006	0.000	0.000	0.000	0.000
100	A	113	GLN	0	-0.070	-0.039	38.910	0.003	0.003	0.000	0.000	0.000	0.000
101	A	114	PHE	0	0.099	0.032	38.458	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	115	GLN	0	0.013	0.012	37.879	-0.003	-0.003	0.000	0.000	0.000	0.000
103	A	116	GLU	-1	-0.877	-0.935	35.225	-0.081	-0.081	0.000	0.000	0.000	0.000
104	A	117	SER	0	-0.009	-0.014	33.978	-0.006	-0.006	0.000	0.000	0.000	0.000
105	A	118	GLN	0	0.060	0.023	32.944	-0.013	-0.013	0.000	0.000	0.000	0.000
106	A	119	ARG	1	0.860	0.933	33.070	0.066	0.066	0.000	0.000	0.000	0.000
107	A	120	CYS	0	-0.017	0.001	29.689	0.000	0.000	0.000	0.000	0.000	0.000
108	A	121	LEU	0	0.052	0.033	28.544	-0.009	-0.009	0.000	0.000	0.000	0.000
109	A	122	LEU	0	-0.021	-0.015	28.345	-0.009	-0.009	0.000	0.000	0.000	0.000
110	A	123	HIS	0	-0.063	-0.010	25.430	0.011	0.011	0.000	0.000	0.000	0.000
111	A	124	SER	0	0.055	0.019	24.150	-0.005	-0.005	0.000	0.000	0.000	0.000
112	A	125	LEU	0	-0.006	0.003	23.753	-0.014	-0.014	0.000	0.000	0.000	0.000
113	A	126	LYS	1	0.901	0.939	24.808	0.082	0.082	0.000	0.000	0.000	0.000
114	A	127	ILE	0	0.004	0.009	20.083	0.005	0.005	0.000	0.000	0.000	0.000
115	A	128	HIS	0	-0.046	-0.014	19.391	-0.034	-0.034	0.000	0.000	0.000	0.000
116	A	129	ASN	0	-0.008	0.023	20.449	-0.028	-0.028	0.000	0.000	0.000	0.000
117	A	130	ASN	0	-0.047	0.000	21.206	0.007	0.007	0.000	0.000	0.000	0.000
118	A	131	THR	0	-0.019	-0.052	15.238	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	132	ALA	0	-0.003	0.005	13.691	0.005	0.005	0.000	0.000	0.000	0.000
120	A	133	SER	0	-0.045	-0.022	11.926	-0.063	-0.063	0.000	0.000	0.000	0.000
121	A	134	GLN	0	0.053	0.032	7.685	0.036	0.036	0.000	0.000	0.000	0.000
122	A	135	LYS	1	0.908	0.958	8.544	0.352	0.352	0.000	0.000	0.000	0.000
123	A	136	THR	0	0.061	0.028	5.125	0.249	0.249	0.000	0.000	0.000	0.000
124	A	137	ALA	0	0.098	0.041	8.324	0.182	0.182	0.000	0.000	0.000	0.000
125	A	138	LEU	0	-0.017	-0.011	9.758	0.196	0.196	0.000	0.000	0.000	0.000
126	A	139	MET	0	0.051	0.034	9.471	0.295	0.295	0.000	0.000	0.000	0.000
127	A	140	GLU	-1	-0.990	-0.989	11.330	-0.412	-0.412	0.000	0.000	0.000	0.000
128	A	141	GLN	0	-0.003	-0.014	13.772	0.201	0.201	0.000	0.000	0.000	0.000
129	A	142	TYR	0	0.035	-0.004	14.535	0.100	0.100	0.000	0.000	0.000	0.000
130	A	143	ASP	-1	-0.784	-0.910	15.343	-0.363	-0.363	0.000	0.000	0.000	0.000
131	A	144	ARG	1	0.956	0.989	17.033	0.530	0.530	0.000	0.000	0.000	0.000
132	A	145	TYR	0	-0.074	-0.069	19.061	0.053	0.053	0.000	0.000	0.000	0.000
133	A	146	LEU	0	-0.016	0.004	18.078	0.050	0.050	0.000	0.000	0.000	0.000
134	A	147	ILE	0	-0.009	-0.001	21.337	0.048	0.048	0.000	0.000	0.000	0.000
135	A	148	VAL	0	0.019	0.007	23.298	0.035	0.035	0.000	0.000	0.000	0.000
136	A	149	GLU	-1	-0.783	-0.874	24.663	-0.263	-0.263	0.000	0.000	0.000	0.000
137	A	150	ASN	0	-0.059	-0.029	25.521	0.039	0.039	0.000	0.000	0.000	0.000
138	A	151	LEU	0	-0.012	0.000	27.288	0.021	0.021	0.000	0.000	0.000	0.000
139	A	152	TYR	0	0.002	-0.002	29.124	0.022	0.022	0.000	0.000	0.000	0.000
140	A	153	TYR	0	0.072	0.004	30.384	0.019	0.019	0.000	0.000	0.000	0.000
141	A	154	ARG	1	0.805	0.885	28.075	0.181	0.181	0.000	0.000	0.000	0.000
142	A	155	GLY	0	-0.037	-0.013	33.087	0.011	0.011	0.000	0.000	0.000	0.000
143	A	156	LEU	0	-0.050	-0.025	33.969	0.009	0.009	0.000	0.000	0.000	0.000
144	A	157	VAL	0	-0.050	-0.014	35.295	0.009	0.009	0.000	0.000	0.000	0.000
145	A	158	SER	0	-0.065	-0.034	37.884	0.008	0.008	0.000	0.000	0.000	0.000
146	A	159	GLN	0	0.017	0.004	40.458	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	160	ASP	-1	-0.918	-0.937	43.100	-0.079	-0.079	0.000	0.000	0.000	0.000
148	A	161	ILE	0	-0.003	-0.016	42.055	-0.005	-0.005	0.000	0.000	0.000	0.000
149	A	162	ASN	0	0.050	0.007	41.618	-0.007	-0.007	0.000	0.000	0.000	0.000
150	A	163	ILE	0	0.000	0.009	39.147	-0.003	-0.003	0.000	0.000	0.000	0.000
151	A	164	MET	0	0.025	0.030	37.100	-0.006	-0.006	0.000	0.000	0.000	0.000
152	A	165	GLN	0	-0.005	-0.016	36.922	-0.004	-0.004	0.000	0.000	0.000	0.000
153	A	166	ASN	0	-0.015	-0.007	37.438	-0.005	-0.005	0.000	0.000	0.000	0.000
154	A	167	VAL	0	-0.035	-0.010	33.204	-0.003	-0.003	0.000	0.000	0.000	0.000
155	A	168	PHE	0	0.008	0.001	32.936	-0.009	-0.009	0.000	0.000	0.000	0.000
156	A	169	TYR	0	-0.018	-0.019	32.638	-0.010	-0.010	0.000	0.000	0.000	0.000
157	A	170	LYS	1	0.937	0.951	32.831	0.092	0.092	0.000	0.000	0.000	0.000
158	A	171	GLU	-1	-0.810	-0.900	29.467	-0.158	-0.158	0.000	0.000	0.000	0.000
159	A	172	LEU	0	0.007	0.002	27.542	-0.014	-0.014	0.000	0.000	0.000	0.000
160	A	173	LEU	0	-0.028	-0.022	27.885	-0.012	-0.012	0.000	0.000	0.000	0.000
161	A	174	ALA	0	-0.077	-0.017	27.610	-0.004	-0.004	0.000	0.000	0.000	0.000
162	A	175	HIS	0	-0.007	-0.001	23.673	-0.020	-0.020	0.000	0.000	0.000	0.000
163	A	176	VAL	0	-0.050	-0.037	22.818	-0.038	-0.038	0.000	0.000	0.000	0.000
164	A	177	ASP	-1	-0.882	-0.915	23.478	-0.229	-0.229	0.000	0.000	0.000	0.000
165	A	178	THR	0	-0.025	-0.031	22.554	0.015	0.015	0.000	0.000	0.000	0.000
166	A	179	ILE	0	-0.057	-0.043	24.414	-0.008	-0.008	0.000	0.000	0.000	0.000
167	A	180	PRO	0	-0.052	-0.003	21.893	-0.021	-0.021	0.000	0.000	0.000	0.000
168	A	181	PRO	0	0.057	0.012	18.297	0.021	0.021	0.000	0.000	0.000	0.000
169	A	182	GLU	-1	-0.904	-0.957	21.473	-0.314	-0.314	0.000	0.000	0.000	0.000
170	A	183	SER	0	-0.025	-0.025	18.792	-0.012	-0.012	0.000	0.000	0.000	0.000
171	A	184	ASN	0	-0.053	-0.012	19.189	-0.026	-0.026	0.000	0.000	0.000	0.000
172	A	185	GLY	0	0.048	0.016	20.620	0.045	0.045	0.000	0.000	0.000	0.000
173	A	186	LEU	0	0.033	0.021	20.831	0.037	0.037	0.000	0.000	0.000	0.000
174	A	187	LEU	0	-0.001	0.001	20.515	0.035	0.035	0.000	0.000	0.000	0.000
175	A	188	PHE	0	-0.004	-0.007	23.666	0.041	0.041	0.000	0.000	0.000	0.000
176	A	189	GLU	-1	-0.776	-0.880	26.372	-0.218	-0.218	0.000	0.000	0.000	0.000
177	A	190	TYR	0	-0.003	0.029	25.502	0.037	0.037	0.000	0.000	0.000	0.000
178	A	191	ILE	0	0.010	0.016	25.848	0.022	0.022	0.000	0.000	0.000	0.000
179	A	192	SER	0	-0.077	-0.062	29.178	0.022	0.022	0.000	0.000	0.000	0.000
180	A	193	LEU	0	0.041	0.022	30.990	0.021	0.021	0.000	0.000	0.000	0.000
181	A	194	ILE	0	-0.007	-0.004	29.651	0.017	0.017	0.000	0.000	0.000	0.000
182	A	195	VAL	0	-0.018	-0.016	32.826	0.015	0.015	0.000	0.000	0.000	0.000
183	A	196	ALA	0	-0.016	-0.003	35.188	0.012	0.012	0.000	0.000	0.000	0.000
184	A	197	LYS	1	0.855	0.926	36.769	0.154	0.154	0.000	0.000	0.000	0.000
185	A	198	LEU	0	-0.022	0.023	35.452	0.010	0.010	0.000	0.000	0.000	0.000
186	A	199	ARG	1	0.892	0.949	39.136	0.098	0.098	0.000	0.000	0.000	0.000
187	A	200	PHE	0	0.074	0.033	37.874	0.004	0.004	0.000	0.000	0.000	0.000
188	A	201	ASN	0	-0.064	-0.033	43.260	-0.002	-0.002	0.000	0.000	0.000	0.000
189	A	202	GLN	0	0.019	0.006	44.218	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	203	ILE	0	0.043	0.009	39.077	0.000	0.000	0.000	0.000	0.000	0.000
191	A	204	GLN	0	0.007	0.002	40.988	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	205	ASP	-1	-0.804	-0.900	42.870	-0.089	-0.089	0.000	0.000	0.000	0.000
193	A	206	LEU	0	-0.040	0.001	36.389	0.000	0.000	0.000	0.000	0.000	0.000
194	A	207	ALA	0	0.024	-0.002	37.983	-0.004	-0.004	0.000	0.000	0.000	0.000
195	A	208	GLU	-1	-0.944	-0.965	39.068	-0.083	-0.083	0.000	0.000	0.000	0.000
196	A	209	ASN	0	-0.108	-0.053	39.702	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	210	PHE	0	0.007	0.002	32.801	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	211	LYS	1	0.882	0.954	35.598	0.089	0.089	0.000	0.000	0.000	0.000
199	A	212	THR	0	0.011	0.015	32.752	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	213	THR	0	0.000	-0.008	35.814	0.004	0.004	0.000	0.000	0.000	0.000
201	A	214	VAL	0	0.026	0.002	36.549	-0.007	-0.007	0.000	0.000	0.000	0.000
202	A	215	GLU	-1	-0.890	-0.955	36.552	-0.110	-0.110	0.000	0.000	0.000	0.000
203	A	216	ASN	0	-0.008	0.007	30.010	-0.012	-0.012	0.000	0.000	0.000	0.000
204	A	217	PRO	0	0.065	0.023	30.002	0.002	0.002	0.000	0.000	0.000	0.000
205	A	218	PHE	0	0.110	0.052	26.861	-0.003	-0.003	0.000	0.000	0.000	0.000
206	A	219	ILE	0	0.012	0.012	30.395	0.000	0.000	0.000	0.000	0.000	0.000
207	A	220	LEU	0	-0.015	-0.011	33.874	0.004	0.004	0.000	0.000	0.000	0.000
208	A	221	PHE	0	0.019	0.014	28.111	0.004	0.004	0.000	0.000	0.000	0.000
209	A	222	LEU	0	0.017	0.015	30.330	0.001	0.001	0.000	0.000	0.000	0.000
210	A	223	TYR	0	-0.029	-0.019	33.644	0.008	0.008	0.000	0.000	0.000	0.000
211	A	224	MET	0	-0.037	-0.019	35.062	0.010	0.010	0.000	0.000	0.000	0.000
212	A	225	ILE	0	0.006	0.017	30.514	0.002	0.002	0.000	0.000	0.000	0.000
213	A	226	LYS	1	0.868	0.934	35.123	0.137	0.137	0.000	0.000	0.000	0.000
214	A	227	LYS	1	0.838	0.932	38.271	0.130	0.130	0.000	0.000	0.000	0.000
215	A	228	PHE	0	-0.021	-0.016	34.906	0.005	0.005	0.000	0.000	0.000	0.000
216	A	229	GLN	0	-0.031	-0.026	34.989	0.010	0.010	0.000	0.000	0.000	0.000
217	A	230	SER	0	-0.085	-0.031	39.206	0.007	0.007	0.000	0.000	0.000	0.000
218	A	231	PRO	0	0.066	0.055	42.830	0.003	0.003	0.000	0.000	0.000	0.000
219	A	232	LEU	0	0.003	-0.027	44.850	0.005	0.005	0.000	0.000	0.000	0.000
220	A	233	LYS	1	0.941	0.978	47.153	0.103	0.103	0.000	0.000	0.000	0.000
221	A	234	LYS	1	0.901	0.946	46.442	0.101	0.101	0.000	0.000	0.000	0.000
222	A	235	HIS	0	0.023	0.001	44.944	-0.006	-0.006	0.000	0.000	0.000	0.000
223	A	236	ILE	0	0.019	0.030	45.744	0.004	0.004	0.000	0.000	0.000	0.000
224	A	237	ASP	-1	-0.923	-0.967	46.304	-0.101	-0.101	0.000	0.000	0.000	0.000
225	A	238	ASN	0	-0.005	-0.011	43.508	0.007	0.007	0.000	0.000	0.000	0.000
226	A	239	ASP	-1	-0.725	-0.850	43.480	-0.113	-0.113	0.000	0.000	0.000	0.000
227	A	240	ASP	-1	-0.820	-0.925	43.756	-0.088	-0.088	0.000	0.000	0.000	0.000
228	A	241	LEU	0	-0.101	-0.043	42.876	0.001	0.001	0.000	0.000	0.000	0.000
229	A	242	TYR	0	0.032	0.002	39.490	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	243	LEU	0	0.059	0.042	39.941	-0.004	-0.004	0.000	0.000	0.000	0.000
231	A	244	LYS	1	0.915	0.954	41.701	0.081	0.081	0.000	0.000	0.000	0.000
232	A	245	PHE	0	0.001	-0.003	38.161	0.001	0.001	0.000	0.000	0.000	0.000
233	A	246	GLY	0	0.071	0.035	37.148	-0.002	-0.002	0.000	0.000	0.000	0.000
234	A	247	GLN	0	-0.002	-0.020	37.926	0.000	0.000	0.000	0.000	0.000	0.000
235	A	248	ASN	0	-0.073	-0.041	39.470	0.006	0.006	0.000	0.000	0.000	0.000
236	A	249	VAL	0	-0.033	-0.016	33.115	0.004	0.004	0.000	0.000	0.000	0.000
237	A	250	LEU	0	-0.005	0.006	35.120	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	251	LEU	0	-0.094	-0.048	37.125	0.003	0.003	0.000	0.000	0.000	0.000
239	A	252	LYS	1	0.892	0.945	35.447	0.106	0.106	0.000	0.000	0.000	0.000
240	A	253	ALA	0	0.064	0.072	32.842	0.000	0.000	0.000	0.000	0.000	0.000
241	A	254	LYS	1	0.908	0.932	32.603	0.076	0.076	0.000	0.000	0.000	0.000
242	A	255	PHE	0	-0.014	-0.005	30.565	-0.007	-0.007	0.000	0.000	0.000	0.000
243	A	256	PRO	0	0.024	0.023	26.607	0.009	0.009	0.000	0.000	0.000	0.000
244	A	257	THR	0	-0.048	-0.015	28.237	0.007	0.007	0.000	0.000	0.000	0.000
245	A	258	ALA	0	0.000	-0.022	26.388	-0.007	-0.007	0.000	0.000	0.000	0.000
246	A	259	SER	0	-0.069	-0.024	23.562	0.000	0.000	0.000	0.000	0.000	0.000
247	A	260	GLU	-1	-0.885	-0.940	23.621	-0.080	-0.080	0.000	0.000	0.000	0.000
248	A	261	THR	0	0.003	0.010	20.323	-0.013	-0.013	0.000	0.000	0.000	0.000
249	A	262	ASN	0	0.014	-0.014	23.499	0.030	0.030	0.000	0.000	0.000	0.000
250	A	263	ASP	-1	-0.864	-0.933	25.533	-0.151	-0.151	0.000	0.000	0.000	0.000
251	A	264	GLU	-1	-0.874	-0.944	23.020	-0.222	-0.222	0.000	0.000	0.000	0.000
252	A	265	ALA	0	-0.027	-0.006	26.425	-0.010	-0.010	0.000	0.000	0.000	0.000
253	A	266	LEU	0	0.016	-0.004	29.785	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	267	GLU	-1	-0.847	-0.912	24.478	-0.247	-0.247	0.000	0.000	0.000	0.000
255	A	268	HIS	0	0.006	0.020	25.680	-0.026	-0.026	0.000	0.000	0.000	0.000
256	A	269	PHE	0	-0.028	-0.026	27.573	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	270	ASN	0	0.040	-0.006	29.759	0.012	0.012	0.000	0.000	0.000	0.000
258	A	271	VAL	0	0.066	0.056	25.760	0.003	0.003	0.000	0.000	0.000	0.000
259	A	272	PHE	0	-0.028	-0.011	29.156	0.005	0.005	0.000	0.000	0.000	0.000
260	A	273	LEU	0	-0.028	-0.018	31.829	0.009	0.009	0.000	0.000	0.000	0.000
261	A	274	GLN	0	-0.031	0.004	27.348	0.002	0.002	0.000	0.000	0.000	0.000
262	A	275	TYR	0	0.010	-0.004	27.170	0.014	0.014	0.000	0.000	0.000	0.000
263	A	276	TYR	0	-0.056	-0.021	33.495	0.011	0.011	0.000	0.000	0.000	0.000
264	A	277	PHE	0	0.054	0.018	35.875	0.009	0.009	0.000	0.000	0.000	0.000
265	A	278	LYS	1	0.993	1.013	33.639	0.205	0.205	0.000	0.000	0.000	0.000
266	A	279	PHE	0	-0.040	-0.028	36.910	0.009	0.009	0.000	0.000	0.000	0.000
267	A	280	THR	0	-0.053	-0.061	39.146	0.004	0.004	0.000	0.000	0.000	0.000
268	A	281	HIS	0	0.018	0.031	39.781	0.002	0.002	0.000	0.000	0.000	0.000
269	A	282	ILE	0	-0.025	-0.021	37.296	0.004	0.004	0.000	0.000	0.000	0.000
270	A	283	LYS	1	0.850	0.939	41.711	0.115	0.115	0.000	0.000	0.000	0.000
271	A	284	LYS	1	0.955	0.980	44.295	0.115	0.115	0.000	0.000	0.000	0.000
272	A	285	ILE	0	-0.078	-0.012	43.782	0.006	0.006	0.000	0.000	0.000	0.000
273	A	286	LYS	1	0.964	0.969	46.028	0.079	0.079	0.000	0.000	0.000	0.000
274	A	287	VAL	0	0.039	0.042	42.330	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	288	ASN	0	0.029	0.065	45.558	0.005	0.005	0.000	0.000	0.000	0.000
276	A	289	PRO	0	0.042	-0.001	45.437	-0.004	-0.004	0.000	0.000	0.000	0.000
277	A	290	SER	0	-0.032	-0.062	46.073	-0.002	-0.002	0.000	0.000	0.000	0.000
278	A	291	TRP	0	-0.051	-0.048	38.643	-0.003	-0.003	0.000	0.000	0.000	0.000
279	A	292	TYR	0	0.008	0.009	41.300	-0.003	-0.003	0.000	0.000	0.000	0.000
280	A	293	ASN	0	-0.001	-0.012	41.354	-0.003	-0.003	0.000	0.000	0.000	0.000
281	A	294	PHE	0	0.026	0.022	35.377	0.000	0.000	0.000	0.000	0.000	0.000
282	A	295	ILE	0	0.055	0.030	34.557	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	296	ILE	0	0.048	0.023	36.561	-0.005	-0.005	0.000	0.000	0.000	0.000
284	A	297	SER	0	-0.002	-0.006	37.526	0.001	0.001	0.000	0.000	0.000	0.000
285	A	298	SER	0	-0.058	-0.032	33.729	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	299	MET	0	-0.060	-0.018	32.854	-0.012	-0.012	0.000	0.000	0.000	0.000
287	A	300	GLU	-1	-0.963	-0.955	33.735	-0.093	-0.093	0.000	0.000	0.000	0.000
288	A	301	LYS	1	0.799	0.901	33.704	0.100	0.100	0.000	0.000	0.000	0.000
289	A	302	THR	0	0.027	-0.008	28.140	-0.004	-0.004	0.000	0.000	0.000	0.000
290	A	303	PHE	0	-0.007	-0.003	24.708	0.006	0.006	0.000	0.000	0.000	0.000
291	A	304	GLN	0	-0.095	-0.040	23.356	-0.030	-0.030	0.000	0.000	0.000	0.000
292	A	305	SER	0	0.058	0.017	24.583	-0.022	-0.022	0.000	0.000	0.000	0.000
293	A	306	ILE	0	0.042	0.025	21.330	0.014	0.014	0.000	0.000	0.000	0.000
294	A	307	GLU	-1	-0.796	-0.910	23.562	-0.326	-0.326	0.000	0.000	0.000	0.000
295	A	308	VAL	0	0.009	0.009	27.114	0.014	0.014	0.000	0.000	0.000	0.000
296	A	309	SER	0	-0.029	-0.018	28.501	0.018	0.018	0.000	0.000	0.000	0.000
297	A	310	LYS	1	0.891	0.962	27.693	0.301	0.301	0.000	0.000	0.000	0.000
298	A	311	THR	0	-0.035	-0.047	30.513	0.011	0.011	0.000	0.000	0.000	0.000
299	A	312	ALA	0	0.020	0.009	32.820	0.011	0.011	0.000	0.000	0.000	0.000
300	A	313	MET	0	-0.036	0.015	32.530	0.008	0.008	0.000	0.000	0.000	0.000
301	A	314	PHE	0	-0.004	-0.007	31.578	0.010	0.010	0.000	0.000	0.000	0.000
302	A	315	LEU	0	-0.004	0.000	36.438	0.010	0.010	0.000	0.000	0.000	0.000
303	A	316	PHE	0	0.002	0.000	37.807	0.012	0.012	0.000	0.000	0.000	0.000
304	A	317	GLN	0	0.013	0.023	39.179	0.004	0.004	0.000	0.000	0.000	0.000
305	A	318	ASN	0	-0.010	-0.002	39.909	0.013	0.013	0.000	0.000	0.000	0.000
306	A	319	LEU	0	-0.011	-0.007	42.111	0.007	0.007	0.000	0.000	0.000	0.000
307	A	320	SER	0	-0.075	-0.024	43.900	0.006	0.006	0.000	0.000	0.000	0.000
308	A	321	ASP	-1	-0.846	-0.939	44.442	-0.111	-0.111	0.000	0.000	0.000	0.000
309	A	322	ASN	0	-0.058	-0.033	46.068	0.003	0.003	0.000	0.000	0.000	0.000
310	A	323	SER	0	-0.046	-0.009	48.794	0.006	0.006	0.000	0.000	0.000	0.000
311	A	324	ASN	0	-0.020	-0.029	50.760	0.000	0.000	0.000	0.000	0.000	0.000
312	A	325	ASP	-1	-0.908	-0.949	53.045	-0.068	-0.068	0.000	0.000	0.000	0.000
313	A	326	GLU	-1	-0.823	-0.923	52.203	-0.083	-0.083	0.000	0.000	0.000	0.000
314	A	327	ILE	0	0.002	-0.004	51.083	-0.004	-0.004	0.000	0.000	0.000	0.000
315	A	328	LYS	1	0.965	0.996	49.121	0.072	0.072	0.000	0.000	0.000	0.000
316	A	329	LYS	1	0.945	1.002	47.517	0.087	0.087	0.000	0.000	0.000	0.000
317	A	330	LYS	1	0.986	0.986	46.472	0.073	0.073	0.000	0.000	0.000	0.000
318	A	331	THR	0	-0.048	-0.037	45.036	-0.003	-0.003	0.000	0.000	0.000	0.000
319	A	332	PHE	0	-0.023	-0.011	43.185	-0.003	-0.003	0.000	0.000	0.000	0.000
320	A	333	LYS	1	0.860	0.913	41.181	0.123	0.123	0.000	0.000	0.000	0.000
321	A	334	ARG	1	0.976	0.988	40.832	0.095	0.095	0.000	0.000	0.000	0.000
322	A	335	GLU	-1	-0.914	-0.974	38.996	-0.124	-0.124	0.000	0.000	0.000	0.000
323	A	336	SER	0	-0.046	-0.018	37.454	-0.010	-0.010	0.000	0.000	0.000	0.000
324	A	337	ILE	0	0.026	0.012	35.970	-0.011	-0.011	0.000	0.000	0.000	0.000
325	A	338	LEU	0	-0.029	-0.010	35.173	-0.009	-0.009	0.000	0.000	0.000	0.000
326	A	339	ASN	0	0.009	-0.009	33.141	-0.003	-0.003	0.000	0.000	0.000	0.000
327	A	340	PHE	0	0.037	0.021	30.435	-0.015	-0.015	0.000	0.000	0.000	0.000
328	A	341	VAL	0	0.030	0.013	30.332	-0.017	-0.017	0.000	0.000	0.000	0.000
329	A	342	ASN	0	-0.059	-0.043	29.515	-0.009	-0.009	0.000	0.000	0.000	0.000
330	A	343	PHE	0	0.017	0.005	25.720	-0.014	-0.014	0.000	0.000	0.000	0.000
331	A	344	VAL	0	-0.007	0.006	25.632	-0.027	-0.027	0.000	0.000	0.000	0.000
332	A	345	LYS	1	0.957	0.995	24.798	0.157	0.157	0.000	0.000	0.000	0.000
333	A	346	TYR	0	-0.052	-0.035	23.799	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	347	ASN	0	0.012	-0.004	21.278	-0.010	-0.010	0.000	0.000	0.000	0.000
335	A	348	ASP	-1	-0.898	-0.943	19.981	-0.377	-0.377	0.000	0.000	0.000	0.000
336	A	349	LYS	1	0.937	0.961	19.641	0.186	0.186	0.000	0.000	0.000	0.000
337	A	350	TYR	0	-0.097	-0.067	13.717	0.055	0.055	0.000	0.000	0.000	0.000
338	A	351	TYR	0	-0.037	-0.021	15.100	-0.014	-0.014	0.000	0.000	0.000	0.000
339	A	352	GLN	0	-0.043	-0.003	15.097	-0.045	-0.045	0.000	0.000	0.000	0.000
340	A	353	LEU	0	-0.050	-0.043	14.325	0.003	0.003	0.000	0.000	0.000	0.000
341	A	354	HIS	0	-0.079	-0.022	12.831	0.069	0.069	0.000	0.000	0.000	0.000
342	A	355	ASP	-1	-0.832	-0.899	10.203	-1.327	-1.327	0.000	0.000	0.000	0.000
343	A	356	ASN	0	0.008	0.014	9.030	0.280	0.280	0.000	0.000	0.000	0.000
344	A	357	SER	0	0.008	0.005	11.657	-0.038	-0.038	0.000	0.000	0.000	0.000
345	A	358	HIS	0	0.041	0.004	13.182	0.091	0.091	0.000	0.000	0.000	0.000
346	A	359	ARG	1	0.860	0.944	15.937	0.406	0.406	0.000	0.000	0.000	0.000
347	A	360	ASP	-1	-0.801	-0.922	17.445	-0.480	-0.480	0.000	0.000	0.000	0.000
348	A	361	ILE	0	0.036	0.022	19.864	0.047	0.047	0.000	0.000	0.000	0.000
349	A	362	ILE	0	0.027	0.026	21.666	0.040	0.040	0.000	0.000	0.000	0.000
350	A	363	SER	0	0.048	0.023	23.769	0.047	0.047	0.000	0.000	0.000	0.000
351	A	364	PHE	0	0.000	-0.003	23.303	0.029	0.029	0.000	0.000	0.000	0.000
352	A	365	ILE	0	0.043	0.012	25.240	0.031	0.031	0.000	0.000	0.000	0.000
353	A	366	ASP	-1	-0.892	-0.937	27.687	-0.219	-0.219	0.000	0.000	0.000	0.000
354	A	367	ALA	0	-0.012	-0.006	28.731	0.023	0.023	0.000	0.000	0.000	0.000
355	A	368	TYR	0	-0.008	-0.013	27.501	0.024	0.024	0.000	0.000	0.000	0.000
356	A	369	SER	0	0.011	-0.009	31.313	0.018	0.018	0.000	0.000	0.000	0.000
357	A	370	PHE	0	0.012	0.008	33.380	0.016	0.016	0.000	0.000	0.000	0.000
358	A	371	ILE	0	0.036	0.026	33.848	0.015	0.015	0.000	0.000	0.000	0.000
359	A	372	LEU	0	0.008	0.060	34.208	0.012	0.012	0.000	0.000	0.000	0.000
360	A	373	GLN	0	-0.043	-0.016	37.087	0.005	0.005	0.000	0.000	0.000	0.000
361	A	374	ASN	0	-0.075	-0.051	38.543	0.015	0.015	0.000	0.000	0.000	0.000
362	A	375	SER	0	-0.076	-0.075	38.872	0.006	0.006	0.000	0.000	0.000	0.000
363	A	376	SER	0	-0.002	0.010	41.629	0.000	0.000	0.000	0.000	0.000	0.000
364	A	377	LYS	1	0.986	0.973	42.650	0.109	0.109	0.000	0.000	0.000	0.000
365	A	378	THR	0	-0.055	-0.025	43.780	0.001	0.001	0.000	0.000	0.000	0.000
366	A	379	ASP	-1	-0.869	-0.935	42.115	-0.112	-0.112	0.000	0.000	0.000	0.000
367	A	380	SER	0	-0.029	-0.005	40.638	-0.007	-0.007	0.000	0.000	0.000	0.000
368	A	381	ILE	0	-0.079	-0.044	39.048	0.007	0.007	0.000	0.000	0.000	0.000
369	A	382	GLU	-1	-0.947	-0.973	40.229	-0.089	-0.089	0.000	0.000	0.000	0.000
370	A	383	ASN	0	0.011	-0.004	37.753	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	384	VAL	0	-0.090	-0.037	35.167	-0.007	-0.007	0.000	0.000	0.000	0.000
372	A	385	PHE	0	0.006	-0.004	34.380	-0.010	-0.010	0.000	0.000	0.000	0.000
373	A	386	ASP	-1	-0.778	-0.890	35.962	-0.125	-0.125	0.000	0.000	0.000	0.000
374	A	387	TYR	0	0.000	0.029	36.373	-0.011	-0.011	0.000	0.000	0.000	0.000
375	A	388	ASP	-1	-0.789	-0.913	37.195	-0.134	-0.134	0.000	0.000	0.000	0.000
376	A	389	ASN	0	0.006	0.003	33.987	-0.006	-0.006	0.000	0.000	0.000	0.000
377	A	390	THR	0	-0.026	-0.020	32.541	-0.018	-0.018	0.000	0.000	0.000	0.000
378	A	391	VAL	0	0.028	0.014	32.770	-0.015	-0.015	0.000	0.000	0.000	0.000
379	A	392	SER	0	-0.037	-0.026	33.620	-0.009	-0.009	0.000	0.000	0.000	0.000
380	A	393	THR	0	-0.018	-0.018	27.981	-0.013	-0.013	0.000	0.000	0.000	0.000
381	A	394	PHE	0	0.007	0.006	28.785	-0.023	-0.023	0.000	0.000	0.000	0.000
382	A	395	ALA	0	0.007	0.008	29.648	-0.017	-0.017	0.000	0.000	0.000	0.000
383	A	396	THR	0	-0.033	-0.015	26.482	-0.009	-0.009	0.000	0.000	0.000	0.000
384	A	397	SER	0	-0.049	-0.031	25.217	-0.026	-0.026	0.000	0.000	0.000	0.000
385	A	398	LEU	0	0.041	0.016	25.188	-0.032	-0.032	0.000	0.000	0.000	0.000
386	A	399	ASN	0	-0.047	-0.024	26.722	-0.024	-0.024	0.000	0.000	0.000	0.000
387	A	400	SER	0	0.002	-0.002	21.793	-0.009	-0.009	0.000	0.000	0.000	0.000
388	A	401	PHE	0	-0.009	-0.001	21.163	-0.037	-0.037	0.000	0.000	0.000	0.000
389	A	402	TYR	0	0.008	-0.008	22.497	-0.028	-0.028	0.000	0.000	0.000	0.000
390	A	403	LYS	1	0.950	0.975	23.016	0.294	0.294	0.000	0.000	0.000	0.000
391	A	404	GLU	-1	-0.961	-0.964	16.157	-0.801	-0.801	0.000	0.000	0.000	0.000
392	A	405	TYR	0	-0.044	-0.039	15.853	-0.082	-0.082	0.000	0.000	0.000	0.000
393	A	406	ASN	0	-0.058	-0.026	20.035	0.059	0.059	0.000	0.000	0.000	0.000
394	A	407	LEU	0	-0.016	0.008	22.946	0.025	0.025	0.000	0.000	0.000	0.000
395	A	408	PRO	0	-0.009	0.002	25.432	0.010	0.010	0.000	0.000	0.000	0.000
396	A	409	LEU	0	-0.047	-0.036	28.980	-0.003	-0.003	0.000	0.000	0.000	0.000
397	A	410	MET	0	0.008	0.011	31.235	0.010	0.010	0.000	0.000	0.000	0.000
398	A	411	SER	0	0.003	0.004	35.016	-0.006	-0.006	0.000	0.000	0.000	0.000
399	A	412	GLN	0	0.018	-0.007	36.376	-0.003	-0.003	0.000	0.000	0.000	0.000
400	A	413	SER	0	0.001	0.043	39.193	0.003	0.003	0.000	0.000	0.000	0.000
401	A	414	GLU	-1	-0.871	-0.943	37.379	-0.147	-0.147	0.000	0.000	0.000	0.000
402	A	415	SER	0	-0.043	-0.043	39.560	0.003	0.003	0.000	0.000	0.000	0.000
403	A	416	LEU	0	-0.053	-0.021	41.221	0.002	0.002	0.000	0.000	0.000	0.000
404	A	417	ASP	-1	-0.832	-0.927	43.932	-0.095	-0.095	0.000	0.000	0.000	0.000
405	A	418	TRP	0	0.023	0.008	37.865	-0.006	-0.006	0.000	0.000	0.000	0.000
406	A	419	LEU	0	-0.052	-0.033	43.019	-0.004	-0.004	0.000	0.000	0.000	0.000
407	A	420	GLU	-1	-0.988	-0.975	44.751	-0.094	-0.094	0.000	0.000	0.000	0.000
408	A	421	ASN	0	-0.031	-0.031	40.006	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	422	SER	0	-0.086	-0.012	39.112	-0.010	-0.010	0.000	0.000	0.000	0.000
410	A	423	THR	0	0.022	-0.002	34.687	-0.005	-0.005	0.000	0.000	0.000	0.000
411	A	424	ARG	1	0.934	0.969	34.780	0.166	0.166	0.000	0.000	0.000	0.000
412	A	425	CYS	0	-0.031	-0.009	30.132	-0.009	-0.009	0.000	0.000	0.000	0.000
413	A	426	VAL	0	-0.048	-0.025	29.752	0.009	0.009	0.000	0.000	0.000	0.000
414	A	427	TYR	0	0.032	0.013	26.498	-0.023	-0.023	0.000	0.000	0.000	0.000
415	A	428	PRO	0	0.009	0.007	24.469	0.018	0.018	0.000	0.000	0.000	0.000
416	A	429	GLY	0	0.047	0.027	27.808	-0.002	-0.002	0.000	0.000	0.000	0.000
417	A	430	ASN	0	0.004	-0.015	25.441	0.021	0.021	0.000	0.000	0.000	0.000
418	A	431	ILE	0	0.037	0.019	23.302	0.006	0.006	0.000	0.000	0.000	0.000
419	A	432	SER	0	0.030	0.009	27.685	0.002	0.002	0.000	0.000	0.000	0.000
420	A	433	LYS	1	0.968	0.995	30.776	0.203	0.203	0.000	0.000	0.000	0.000
421	A	434	VAL	0	-0.020	-0.008	28.129	0.012	0.012	0.000	0.000	0.000	0.000
422	A	435	LEU	0	0.022	0.014	26.788	0.007	0.007	0.000	0.000	0.000	0.000
423	A	436	THR	0	-0.010	-0.002	30.781	0.014	0.014	0.000	0.000	0.000	0.000
424	A	437	ASN	0	-0.045	-0.019	34.224	0.012	0.012	0.000	0.000	0.000	0.000
425	A	438	ALA	0	0.044	0.032	31.451	0.010	0.010	0.000	0.000	0.000	0.000
426	A	439	TRP	0	0.019	-0.003	30.527	0.017	0.017	0.000	0.000	0.000	0.000
427	A	440	SER	0	-0.021	-0.021	35.146	0.014	0.014	0.000	0.000	0.000	0.000
428	A	441	THR	0	-0.041	-0.022	35.916	0.009	0.009	0.000	0.000	0.000	0.000
429	A	442	LEU	0	0.006	0.011	33.553	0.008	0.008	0.000	0.000	0.000	0.000
430	A	443	TYR	0	-0.003	-0.013	37.333	0.009	0.009	0.000	0.000	0.000	0.000
431	A	444	GLU	-1	-0.910	-0.979	40.388	-0.118	-0.118	0.000	0.000	0.000	0.000
432	A	445	ILE	0	-0.063	-0.009	38.717	0.008	0.008	0.000	0.000	0.000	0.000
433	A	446	ARG	1	0.898	0.951	35.384	0.170	0.170	0.000	0.000	0.000	0.000
434	A	447	LYS	1	0.904	0.972	42.098	0.115	0.115	0.000	0.000	0.000	0.000
435	A	448	TYR	0	-0.029	-0.030	45.009	0.003	0.003	0.000	0.000	0.000	0.000
436	A	449	GLN	0	0.027	0.019	42.709	0.000	0.000	0.000	0.000	0.000	0.000
437	A	450	LEU	0	0.080	0.044	45.917	-0.004	-0.004	0.000	0.000	0.000	0.000
438	A	451	ASP	-1	-0.838	-0.915	44.003	-0.101	-0.101	0.000	0.000	0.000	0.000
439	A	452	PHE	0	-0.045	-0.027	38.416	-0.005	-0.005	0.000	0.000	0.000	0.000
440	A	453	LEU	0	0.010	0.000	42.871	-0.005	-0.005	0.000	0.000	0.000	0.000
441	A	454	VAL	0	0.007	0.008	45.626	0.000	0.000	0.000	0.000	0.000	0.000
442	A	455	SER	0	-0.058	-0.028	41.010	0.001	0.001	0.000	0.000	0.000	0.000
443	A	456	ASN	0	0.024	0.017	41.495	-0.004	-0.004	0.000	0.000	0.000	0.000
444	A	457	ASN	0	0.004	0.004	37.553	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	458	LEU	0	0.012	0.050	39.282	-0.009	-0.009	0.000	0.000	0.000	0.000
446	A	459	THR	0	0.055	0.019	41.214	-0.004	-0.004	0.000	0.000	0.000	0.000
447	A	460	SER	0	-0.055	-0.057	37.127	-0.006	-0.006	0.000	0.000	0.000	0.000
448	A	461	TYR	0	0.011	-0.008	35.578	-0.008	-0.008	0.000	0.000	0.000	0.000
449	A	462	LEU	0	0.006	0.003	37.272	-0.008	-0.008	0.000	0.000	0.000	0.000
450	A	463	CYS	0	-0.003	0.013	38.266	-0.003	-0.003	0.000	0.000	0.000	0.000
451	A	464	ASN	0	0.062	0.015	33.401	-0.005	-0.005	0.000	0.000	0.000	0.000
452	A	465	ALA	0	-0.037	-0.020	34.379	-0.011	-0.011	0.000	0.000	0.000	0.000
453	A	466	MET	0	-0.058	-0.021	36.345	0.002	0.002	0.000	0.000	0.000	0.000
454	A	467	MET	0	0.013	0.024	32.325	0.006	0.006	0.000	0.000	0.000	0.000
455	A	468	LEU	0	-0.073	-0.023	30.898	-0.006	-0.006	0.000	0.000	0.000	0.000
456	A	469	SER	0	-0.004	0.004	34.272	0.008	0.008	0.000	0.000	0.000	0.000
457	A	484	GLY	0	0.039	0.010	46.509	0.001	0.001	0.000	0.000	0.000	0.000
458	A	485	GLU	-1	-0.970	-1.000	41.669	-0.135	-0.135	0.000	0.000	0.000	0.000
459	A	486	GLU	-1	-0.891	-0.962	37.835	-0.166	-0.166	0.000	0.000	0.000	0.000
460	A	487	GLU	-1	-0.933	-0.949	42.121	-0.108	-0.108	0.000	0.000	0.000	0.000
461	A	488	LYS	1	0.915	0.953	45.345	0.104	0.104	0.000	0.000	0.000	0.000
462	A	489	ALA	0	-0.006	0.007	41.394	0.002	0.002	0.000	0.000	0.000	0.000
463	A	490	LEU	0	0.047	0.016	40.884	0.001	0.001	0.000	0.000	0.000	0.000
464	A	491	ARG	1	0.962	0.998	43.552	0.101	0.101	0.000	0.000	0.000	0.000
465	A	492	GLU	-1	-0.893	-0.960	45.619	-0.101	-0.101	0.000	0.000	0.000	0.000
466	A	493	LEU	0	-0.024	-0.004	39.691	0.002	0.002	0.000	0.000	0.000	0.000
467	A	494	GLN	0	0.080	0.027	44.009	0.005	0.005	0.000	0.000	0.000	0.000
468	A	495	PHE	0	0.005	0.000	46.071	0.003	0.003	0.000	0.000	0.000	0.000
469	A	496	LYS	1	0.908	0.959	44.548	0.121	0.121	0.000	0.000	0.000	0.000
470	A	497	TYR	0	-0.008	0.022	43.505	0.003	0.003	0.000	0.000	0.000	0.000
471	A	498	SER	0	0.041	0.012	46.086	0.003	0.003	0.000	0.000	0.000	0.000
472	A	499	TYR	0	-0.023	-0.016	49.618	0.005	0.005	0.000	0.000	0.000	0.000
473	A	500	THR	0	-0.054	-0.068	45.367	0.002	0.002	0.000	0.000	0.000	0.000
474	A	501	LEU	0	0.026	0.011	46.917	0.002	0.002	0.000	0.000	0.000	0.000
475	A	502	ALA	0	0.008	0.001	49.630	0.004	0.004	0.000	0.000	0.000	0.000
476	A	503	GLN	0	-0.066	-0.046	50.558	0.004	0.004	0.000	0.000	0.000	0.000
477	A	504	GLN	0	-0.058	-0.027	46.409	0.000	0.000	0.000	0.000	0.000	0.000
478	A	505	ARG	1	0.865	0.952	51.520	0.073	0.073	0.000	0.000	0.000	0.000
479	A	506	HIS	0	0.042	0.037	48.553	0.005	0.005	0.000	0.000	0.000	0.000
480	A	507	ILE	0	0.027	0.003	52.909	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	508	GLU	-1	-0.904	-0.954	55.195	-0.068	-0.068	0.000	0.000	0.000	0.000
482	A	509	THR	0	-0.008	-0.007	48.705	0.001	0.001	0.000	0.000	0.000	0.000
483	A	510	ALA	0	0.006	0.010	51.356	-0.002	-0.002	0.000	0.000	0.000	0.000
484	A	511	ILE	0	-0.009	-0.008	52.369	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	512	LYS	1	0.967	0.987	52.269	0.075	0.075	0.000	0.000	0.000	0.000
486	A	513	THR	0	0.038	0.006	47.841	0.000	0.000	0.000	0.000	0.000	0.000
487	A	514	LEU	0	-0.049	-0.021	50.393	-0.002	-0.002	0.000	0.000	0.000	0.000
488	A	515	GLU	-1	-0.851	-0.909	52.602	-0.069	-0.069	0.000	0.000	0.000	0.000
489	A	516	SER	0	-0.007	-0.009	50.509	0.000	0.000	0.000	0.000	0.000	0.000
490	A	517	LEU	0	-0.060	-0.021	45.369	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	518	ILE	0	-0.039	-0.004	48.895	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	519	LEU	0	0.022	0.001	50.982	0.000	0.000	0.000	0.000	0.000	0.000
493	A	520	SER	0	-0.042	-0.003	53.378	0.004	0.004	0.000	0.000	0.000	0.000
494	A	521	LYS	1	0.881	0.923	51.863	0.082	0.082	0.000	0.000	0.000	0.000
495	A	522	ASN	0	-0.031	-0.007	49.845	-0.004	-0.004	0.000	0.000	0.000	0.000
496	A	523	PRO	0	0.043	0.020	53.919	0.000	0.000	0.000	0.000	0.000	0.000
497	A	524	ASN	0	-0.054	-0.020	54.072	0.000	0.000	0.000	0.000	0.000	0.000
498	A	525	TYR	0	0.037	0.012	50.779	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	526	TYR	0	0.059	0.006	56.046	0.000	0.000	0.000	0.000	0.000	0.000
500	A	527	LYS	1	0.857	0.952	50.893	0.097	0.097	0.000	0.000	0.000	0.000
501	A	528	ALA	0	0.033	0.004	53.389	0.001	0.001	0.000	0.000	0.000	0.000
502	A	529	TRP	0	0.061	0.039	55.401	0.001	0.001	0.000	0.000	0.000	0.000
503	A	530	HIS	0	0.023	0.030	59.012	0.003	0.003	0.000	0.000	0.000	0.000
504	A	531	LEU	0	-0.003	-0.004	53.189	0.001	0.001	0.000	0.000	0.000	0.000
505	A	532	LEU	0	0.016	0.007	56.959	0.001	0.001	0.000	0.000	0.000	0.000
506	A	533	ALA	0	-0.014	-0.002	58.473	0.002	0.002	0.000	0.000	0.000	0.000
507	A	534	LEU	0	0.013	-0.005	59.667	0.002	0.002	0.000	0.000	0.000	0.000
508	A	535	CYS	0	-0.027	0.032	56.601	0.000	0.000	0.000	0.000	0.000	0.000
509	A	536	ARG	1	0.861	0.907	59.366	0.065	0.065	0.000	0.000	0.000	0.000
510	A	537	SER	0	-0.102	-0.074	62.247	0.002	0.002	0.000	0.000	0.000	0.000
511	A	538	VAL	0	0.013	0.032	60.095	0.002	0.002	0.000	0.000	0.000	0.000
512	A	539	GLN	0	-0.083	-0.021	63.357	0.000	0.000	0.000	0.000	0.000	0.000
513	A	540	GLU	-1	-0.914	-0.976	64.953	-0.046	-0.046	0.000	0.000	0.000	0.000
514	A	541	ASP	-1	-0.880	-0.922	68.478	-0.045	-0.045	0.000	0.000	0.000	0.000
515	A	542	LYS	1	0.893	0.931	67.221	0.049	0.049	0.000	0.000	0.000	0.000
516	A	543	GLU	-1	-0.868	-0.940	69.268	-0.046	-0.046	0.000	0.000	0.000	0.000
517	A	544	MET	0	-0.026	-0.012	64.534	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	545	SER	0	0.046	-0.003	65.097	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	546	TYR	0	0.057	0.038	66.080	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	547	LYS	1	0.946	0.971	69.209	0.046	0.046	0.000	0.000	0.000	0.000
521	A	548	ILE	0	-0.037	-0.010	62.286	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	549	VAL	0	-0.001	-0.009	65.282	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	550	CYS	0	-0.046	-0.015	66.609	0.000	0.000	0.000	0.000	0.000	0.000
524	A	551	SER	0	0.007	0.009	66.346	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	552	VAL	0	0.011	-0.003	62.369	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	553	LEU	0	-0.007	-0.003	65.105	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	554	GLU	-1	-0.919	-0.956	67.555	-0.048	-0.048	0.000	0.000	0.000	0.000
528	A	555	ALA	0	0.025	0.019	64.261	0.000	0.000	0.000	0.000	0.000	0.000
529	A	556	MET	0	-0.072	-0.027	62.090	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	557	ASN	0	0.013	-0.004	65.546	0.001	0.001	0.000	0.000	0.000	0.000
531	A	558	GLU	-1	-0.966	-0.968	67.260	-0.054	-0.054	0.000	0.000	0.000	0.000
532	A	559	SER	0	-0.089	-0.063	63.218	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	560	LEU	0	-0.059	-0.011	65.144	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	561	GLN	0	-0.032	-0.014	67.210	0.000	0.000	0.000	0.000	0.000	0.000
535	A	562	ASN	0	-0.024	-0.004	69.677	0.001	0.001	0.000	0.000	0.000	0.000
536	A	563	ASN	0	-0.029	-0.007	64.809	0.000	0.000	0.000	0.000	0.000	0.000
537	A	564	THR	0	0.014	-0.005	63.495	0.000	0.000	0.000	0.000	0.000	0.000
538	A	565	LEU	0	-0.033	-0.013	60.437	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	566	LEU	0	0.002	0.011	60.021	-0.003	-0.003	0.000	0.000	0.000	0.000
540	A	567	LEU	0	0.003	-0.008	57.062	0.001	0.001	0.000	0.000	0.000	0.000
541	A	568	ASN	0	0.042	0.001	54.925	0.002	0.002	0.000	0.000	0.000	0.000
542	A	569	ASP	-1	-0.900	-0.961	58.257	-0.075	-0.075	0.000	0.000	0.000	0.000
543	A	570	ARG	1	0.925	0.976	60.240	0.062	0.062	0.000	0.000	0.000	0.000
544	A	571	TRP	0	0.029	0.016	60.834	0.002	0.002	0.000	0.000	0.000	0.000
545	A	572	GLN	0	-0.032	-0.025	57.656	0.002	0.002	0.000	0.000	0.000	0.000
546	A	573	PHE	0	0.038	0.006	61.673	0.001	0.001	0.000	0.000	0.000	0.000
547	A	574	ILE	0	0.039	0.028	65.025	0.001	0.001	0.000	0.000	0.000	0.000
548	A	575	HIS	0	0.065	0.026	63.156	0.002	0.002	0.000	0.000	0.000	0.000
549	A	576	LEU	0	-0.004	-0.001	63.276	0.000	0.000	0.000	0.000	0.000	0.000
550	A	577	LYS	1	0.925	0.968	65.334	0.049	0.049	0.000	0.000	0.000	0.000
551	A	578	LEU	0	-0.009	-0.005	67.239	0.001	0.001	0.000	0.000	0.000	0.000
552	A	579	THR	0	0.001	-0.009	64.264	0.001	0.001	0.000	0.000	0.000	0.000
553	A	580	GLN	0	0.029	0.021	67.494	0.000	0.000	0.000	0.000	0.000	0.000
554	A	581	LEU	0	-0.010	0.005	70.031	0.001	0.001	0.000	0.000	0.000	0.000
555	A	582	ALA	0	0.034	0.023	69.248	0.001	0.001	0.000	0.000	0.000	0.000
556	A	583	LEU	0	-0.045	-0.026	67.048	0.001	0.001	0.000	0.000	0.000	0.000
557	A	584	ILE	0	0.004	0.003	71.135	0.001	0.001	0.000	0.000	0.000	0.000
558	A	585	GLU	-1	-0.863	-0.938	73.938	-0.043	-0.043	0.000	0.000	0.000	0.000
559	A	586	GLU	-1	-0.973	-0.988	70.820	-0.047	-0.047	0.000	0.000	0.000	0.000
560	A	587	ILE	0	-0.091	-0.046	71.838	0.001	0.001	0.000	0.000	0.000	0.000
561	A	588	PHE	0	-0.070	-0.051	75.771	0.001	0.001	0.000	0.000	0.000	0.000
562	A	589	GLY	0	0.035	0.038	78.388	0.001	0.001	0.000	0.000	0.000	0.000
563	A	590	THR	0	0.022	-0.018	78.360	0.000	0.000	0.000	0.000	0.000	0.000
564	A	591	LEU	0	-0.008	-0.006	79.938	0.000	0.000	0.000	0.000	0.000	0.000
565	A	592	GLU	-1	-0.864	-0.926	81.172	-0.036	-0.036	0.000	0.000	0.000	0.000
566	A	593	ALA	0	-0.041	-0.019	76.964	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	594	LEU	0	-0.042	-0.029	78.776	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	595	GLU	-1	-0.946	-0.966	80.926	-0.035	-0.035	0.000	0.000	0.000	0.000
569	A	596	THR	0	-0.032	-0.016	77.794	0.000	0.000	0.000	0.000	0.000	0.000
570	A	597	LEU	0	0.001	0.005	76.197	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	598	PRO	0	-0.015	-0.011	77.312	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	599	GLU	-1	-0.853	-0.923	76.036	-0.044	-0.044	0.000	0.000	0.000	0.000
573	A	600	VAL	0	-0.038	-0.020	71.840	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	601	PHE	0	0.009	0.004	73.637	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	602	GLU	-1	-0.916	-0.944	75.841	-0.042	-0.042	0.000	0.000	0.000	0.000
576	A	603	LEU	0	-0.016	-0.007	69.457	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	604	TYR	0	-0.027	-0.040	69.122	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	605	ALA	0	0.001	-0.001	71.966	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	606	THR	0	-0.056	-0.016	71.905	0.000	0.000	0.000	0.000	0.000	0.000
580	A	607	LEU	0	-0.097	-0.053	66.642	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	608	PHE	0	-0.092	-0.055	65.042	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	609	PRO	0	0.039	0.032	69.761	0.001	0.001	0.000	0.000	0.000	0.000
583	A	610	ASP	-1	-0.889	-0.944	72.199	-0.045	-0.045	0.000	0.000	0.000	0.000
584	A	611	SER	0	-0.110	-0.047	72.025	0.000	0.000	0.000	0.000	0.000	0.000
585	A	612	GLN	0	0.016	-0.018	65.111	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	613	PRO	0	-0.049	-0.015	64.226	0.000	0.000	0.000	0.000	0.000	0.000
587	A	614	GLU	-1	-0.828	-0.922	60.972	-0.062	-0.062	0.000	0.000	0.000	0.000
588	A	615	LEU	0	-0.062	-0.020	60.314	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	616	ASN	0	-0.051	-0.018	61.394	0.000	0.000	0.000	0.000	0.000	0.000
590	A	617	SER	0	0.025	-0.007	61.055	0.001	0.001	0.000	0.000	0.000	0.000
591	A	618	MET	0	-0.014	0.035	55.929	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	619	GLY	0	-0.009	-0.013	56.353	-0.004	-0.004	0.000	0.000	0.000	0.000
593	A	620	PRO	0	-0.053	-0.022	54.006	0.002	0.002	0.000	0.000	0.000	0.000
594	A	621	LYS	1	0.954	0.975	53.533	0.083	0.083	0.000	0.000	0.000	0.000
595	A	622	TYR	0	0.094	0.034	58.648	0.000	0.000	0.000	0.000	0.000	0.000
596	A	623	SER	0	0.008	0.004	58.434	0.001	0.001	0.000	0.000	0.000	0.000
597	A	624	GLN	0	-0.028	-0.010	54.815	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	625	THR	0	0.017	0.013	60.227	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	626	LYS	1	1.010	0.996	63.281	0.053	0.053	0.000	0.000	0.000	0.000
600	A	627	GLU	-1	-0.906	-0.960	66.033	-0.051	-0.051	0.000	0.000	0.000	0.000
601	A	628	TYR	0	0.026	0.016	63.207	0.001	0.001	0.000	0.000	0.000	0.000
602	A	629	LEU	0	-0.010	-0.007	65.055	0.000	0.000	0.000	0.000	0.000	0.000
603	A	630	LEU	0	0.017	0.016	67.408	0.001	0.001	0.000	0.000	0.000	0.000
604	A	631	GLN	0	0.020	0.043	69.249	0.000	0.000	0.000	0.000	0.000	0.000
605	A	632	MET	0	-0.029	-0.019	64.376	0.001	0.001	0.000	0.000	0.000	0.000
606	A	633	VAL	0	-0.022	-0.006	69.142	0.000	0.000	0.000	0.000	0.000	0.000
607	A	634	TRP	0	0.037	0.015	71.652	0.001	0.001	0.000	0.000	0.000	0.000
608	A	635	ILE	0	-0.006	-0.001	70.804	0.001	0.001	0.000	0.000	0.000	0.000
609	A	636	PHE	0	-0.026	-0.015	69.964	0.000	0.000	0.000	0.000	0.000	0.000
610	A	637	ALA	0	0.035	0.005	72.768	0.001	0.001	0.000	0.000	0.000	0.000
611	A	638	ALA	0	0.027	0.013	76.007	0.001	0.001	0.000	0.000	0.000	0.000
612	A	639	ASN	0	0.018	-0.007	71.784	0.002	0.002	0.000	0.000	0.000	0.000
613	A	640	MET	0	-0.022	0.002	75.207	0.001	0.001	0.000	0.000	0.000	0.000
614	A	641	TYR	0	0.006	-0.010	77.504	0.001	0.001	0.000	0.000	0.000	0.000
615	A	642	MET	0	-0.031	0.011	76.334	0.001	0.001	0.000	0.000	0.000	0.000
616	A	643	ARG	1	0.874	0.960	72.390	0.045	0.045	0.000	0.000	0.000	0.000
617	A	644	THR	0	-0.082	-0.053	79.763	0.001	0.001	0.000	0.000	0.000	0.000
618	A	645	LYS	1	0.942	0.964	83.118	0.033	0.033	0.000	0.000	0.000	0.000
619	A	646	ASP	-1	-0.978	-0.960	85.391	-0.030	-0.030	0.000	0.000	0.000	0.000
620	A	647	ASN	0	0.008	0.001	86.530	0.001	0.001	0.000	0.000	0.000	0.000
621	A	648	ASP	-1	-0.763	-0.878	84.294	-0.034	-0.034	0.000	0.000	0.000	0.000
622	A	649	GLU	-1	-0.988	-0.998	84.235	-0.031	-0.031	0.000	0.000	0.000	0.000
623	A	650	ASP	-1	-0.846	-0.927	83.623	-0.035	-0.035	0.000	0.000	0.000	0.000
624	A	651	ALA	0	0.018	0.005	80.039	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	652	LYN	0	-0.039	-0.016	80.248	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	653	ALA	0	-0.041	-0.023	81.659	0.000	0.000	0.000	0.000	0.000	0.000
627	A	654	ALA	0	0.027	0.023	78.211	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	655	ILE	0	0.029	0.004	76.312	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	656	LYS	1	0.882	0.939	77.417	0.034	0.034	0.000	0.000	0.000	0.000
630	A	657	GLU	-1	-0.928	-0.963	78.854	-0.039	-0.039	0.000	0.000	0.000	0.000
631	A	658	ALA	0	-0.030	-0.009	73.791	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	659	SER	0	0.020	-0.032	74.172	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	660	ASN	0	-0.090	-0.039	75.431	0.000	0.000	0.000	0.000	0.000	0.000
634	A	661	VAL	0	-0.012	0.013	72.146	0.000	0.000	0.000	0.000	0.000	0.000
635	A	662	GLU	-1	-0.829	-0.916	70.683	-0.047	-0.047	0.000	0.000	0.000	0.000
636	A	663	SER	0	-0.040	-0.031	72.987	0.000	0.000	0.000	0.000	0.000	0.000
637	A	664	LYS	1	0.743	0.868	72.844	0.043	0.043	0.000	0.000	0.000	0.000
638	A	665	PHE	0	-0.052	-0.033	68.691	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	666	LYS	1	0.810	0.927	68.786	0.044	0.044	0.000	0.000	0.000	0.000
640	A	667	ASN	0	-0.018	-0.034	67.280	0.000	0.000	0.000	0.000	0.000	0.000
641	A	668	LEU	0	0.003	0.003	63.483	0.001	0.001	0.000	0.000	0.000	0.000
642	A	669	ASN	0	0.036	0.003	65.708	0.000	0.000	0.000	0.000	0.000	0.000
643	A	670	CYM	-1	-0.748	-0.834	68.895	-0.044	-0.044	0.000	0.000	0.000	0.000
644	A	671	ASN	0	0.009	0.000	70.347	0.002	0.002	0.000	0.000	0.000	0.000
645	A	672	ILE	0	0.020	0.016	66.739	0.001	0.001	0.000	0.000	0.000	0.000
646	A	673	ALA	0	0.002	0.015	71.374	0.001	0.001	0.000	0.000	0.000	0.000
647	A	674	ASN	0	0.039	-0.004	74.149	0.002	0.002	0.000	0.000	0.000	0.000
648	A	675	GLY	0	-0.027	0.006	74.545	0.001	0.001	0.000	0.000	0.000	0.000
649	A	676	TYR	0	0.019	-0.008	69.926	0.001	0.001	0.000	0.000	0.000	0.000
650	A	677	LEU	0	0.019	-0.002	76.182	0.001	0.001	0.000	0.000	0.000	0.000
651	A	678	SER	0	-0.073	-0.054	78.822	0.001	0.001	0.000	0.000	0.000	0.000
652	A	679	ILE	0	-0.009	0.010	76.493	0.001	0.001	0.000	0.000	0.000	0.000
653	A	680	ILE	0	-0.011	0.038	80.340	0.001	0.001	0.000	0.000	0.000	0.000
654	A	681	LYS	1	0.775	0.847	82.939	0.032	0.032	0.000	0.000	0.000	0.000
655	A	682	ASP	-1	-0.907	-0.939	83.898	-0.030	-0.030	0.000	0.000	0.000	0.000
656	A	683	GLU	-1	-1.008	-1.016	82.676	-0.030	-0.030	0.000	0.000	0.000	0.000
657	A	684	PRO	0	-0.028	-0.005	80.725	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	685	GLY	0	0.031	0.008	79.367	0.000	0.000	0.000	0.000	0.000	0.000
659	A	686	VAL	0	-0.065	-0.032	78.428	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	687	ALA	0	0.107	0.048	76.538	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	688	LEU	0	0.022	0.020	73.685	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	689	LYS	1	0.946	0.972	73.433	0.034	0.034	0.000	0.000	0.000	0.000
663	A	690	GLU	-1	-0.846	-0.893	73.127	-0.043	-0.043	0.000	0.000	0.000	0.000
664	A	691	PHE	0	0.025	0.012	70.408	-0.002	-0.002	0.000	0.000	0.000	0.000
665	A	692	GLU	-1	-0.932	-0.970	68.868	-0.043	-0.043	0.000	0.000	0.000	0.000
666	A	693	THR	0	-0.092	-0.082	68.327	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	694	VAL	0	-0.070	-0.046	65.795	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	695	LEU	0	0.014	0.000	63.941	-0.002	-0.002	0.000	0.000	0.000	0.000
669	A	696	TYR	0	-0.109	-0.029	63.588	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	697	TYR	0	-0.067	-0.045	62.707	-0.001	-0.001	0.000	0.000	0.000	0.000
671	A	698	ASP	-1	-0.886	-0.953	59.507	-0.064	-0.064	0.000	0.000	0.000	0.000
672	A	699	GLU	-1	-0.888	-0.932	57.471	-0.063	-0.063	0.000	0.000	0.000	0.000
673	A	700	ASN	0	-0.109	-0.067	55.551	0.000	0.000	0.000	0.000	0.000	0.000
674	A	701	ASN	0	-0.033	-0.002	58.938	0.000	0.000	0.000	0.000	0.000	0.000
675	A	702	LEU	0	0.000	-0.001	60.744	0.001	0.001	0.000	0.000	0.000	0.000
676	A	703	ASP	-1	-0.851	-0.945	62.809	-0.053	-0.053	0.000	0.000	0.000	0.000
677	A	704	ALA	0	-0.019	-0.004	65.442	0.002	0.002	0.000	0.000	0.000	0.000
678	A	705	LEU	0	-0.024	-0.012	61.347	0.002	0.002	0.000	0.000	0.000	0.000
679	A	706	VAL	0	-0.012	0.003	65.443	0.001	0.001	0.000	0.000	0.000	0.000
680	A	707	GLY	0	0.083	0.049	67.796	0.002	0.002	0.000	0.000	0.000	0.000
681	A	708	PHE	0	-0.042	-0.031	67.636	0.002	0.002	0.000	0.000	0.000	0.000
682	A	709	ALA	0	-0.002	-0.016	68.225	0.002	0.002	0.000	0.000	0.000	0.000
683	A	710	GLU	-1	-0.885	-0.945	70.330	-0.042	-0.042	0.000	0.000	0.000	0.000
684	A	711	LEU	0	-0.039	-0.011	73.322	0.001	0.001	0.000	0.000	0.000	0.000
685	A	712	ILE	0	-0.145	-0.053	70.494	0.002	0.002	0.000	0.000	0.000	0.000
686	A	713	PHE	0	-0.067	-0.060	69.963	0.001	0.001	0.000	0.000	0.000	0.000
687	A	714	PRO	0	0.036	0.034	74.912	0.000	0.000	0.000	0.000	0.000	0.000
688	A	745	VAL	0	0.022	0.013	80.128	0.000	0.000	0.000	0.000	0.000	0.000
689	A	746	ASN	0	-0.056	-0.020	80.299	0.001	0.001	0.000	0.000	0.000	0.000
690	A	747	ASP	-1	-0.843	-0.933	79.945	-0.029	-0.029	0.000	0.000	0.000	0.000
691	A	748	THR	0	-0.039	-0.046	76.919	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	749	ASP	-1	-0.865	-0.926	75.537	-0.033	-0.033	0.000	0.000	0.000	0.000
693	A	750	ARG	1	0.936	0.983	74.514	0.034	0.034	0.000	0.000	0.000	0.000
694	A	751	SER	0	-0.044	-0.026	73.443	-0.001	-0.001	0.000	0.000	0.000	0.000
695	A	752	ALA	0	-0.010	-0.001	71.132	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	753	ALA	0	0.028	0.011	69.961	-0.002	-0.002	0.000	0.000	0.000	0.000
697	A	754	TYR	0	0.007	0.008	69.203	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	755	ALA	0	-0.012	-0.007	67.215	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	756	ARG	1	0.931	0.974	62.121	0.049	0.049	0.000	0.000	0.000	0.000
700	A	757	LEU	0	0.050	0.029	64.752	-0.002	-0.002	0.000	0.000	0.000	0.000
701	A	758	LYS	1	0.974	0.984	62.645	0.045	0.045	0.000	0.000	0.000	0.000
702	A	759	PHE	0	-0.032	-0.015	58.145	-0.002	-0.002	0.000	0.000	0.000	0.000
703	A	760	LEU	0	0.001	0.000	60.030	-0.002	-0.002	0.000	0.000	0.000	0.000
704	A	761	LEU	0	0.019	0.008	59.900	-0.003	-0.003	0.000	0.000	0.000	0.000
705	A	762	GLU	-1	-0.917	-0.968	57.860	-0.056	-0.056	0.000	0.000	0.000	0.000
706	A	763	CYS	0	-0.003	-0.001	55.636	-0.003	-0.003	0.000	0.000	0.000	0.000
707	A	764	ALA	0	0.016	0.008	54.967	-0.004	-0.004	0.000	0.000	0.000	0.000
708	A	765	ILE	0	-0.056	-0.030	54.900	-0.003	-0.003	0.000	0.000	0.000	0.000
709	A	766	LEU	0	-0.018	-0.018	50.772	-0.003	-0.003	0.000	0.000	0.000	0.000
710	A	767	GLU	-1	-0.932	-0.935	50.595	-0.079	-0.079	0.000	0.000	0.000	0.000
711	A	768	SER	0	-0.033	-0.023	51.339	-0.003	-0.003	0.000	0.000	0.000	0.000
712	A	769	ILE	0	-0.011	-0.015	48.879	0.001	0.001	0.000	0.000	0.000	0.000
713	A	770	GLU	-1	-0.972	-0.998	52.892	-0.067	-0.067	0.000	0.000	0.000	0.000
714	A	771	ALA	0	0.041	0.018	56.332	0.002	0.002	0.000	0.000	0.000	0.000
715	A	772	TYR	0	0.010	0.019	51.994	0.003	0.003	0.000	0.000	0.000	0.000
716	A	773	TYR	0	-0.033	-0.001	50.121	0.001	0.001	0.000	0.000	0.000	0.000
717	A	774	SER	0	0.068	0.028	56.840	0.002	0.002	0.000	0.000	0.000	0.000
718	A	775	PRO	0	0.040	0.009	60.457	0.001	0.001	0.000	0.000	0.000	0.000
719	A	776	GLU	-1	-0.873	-0.947	63.216	-0.050	-0.050	0.000	0.000	0.000	0.000
720	A	777	VAL	0	0.020	0.017	60.187	0.002	0.002	0.000	0.000	0.000	0.000
721	A	778	TRP	0	-0.042	-0.056	56.071	0.002	0.002	0.000	0.000	0.000	0.000
722	A	779	TRP	0	0.028	0.037	62.544	0.001	0.001	0.000	0.000	0.000	0.000
723	A	780	TYR	0	0.085	0.078	66.288	0.002	0.002	0.000	0.000	0.000	0.000
724	A	781	LEU	0	-0.029	-0.007	59.746	0.001	0.001	0.000	0.000	0.000	0.000
725	A	782	SER	0	-0.093	-0.096	64.381	0.001	0.001	0.000	0.000	0.000	0.000
726	A	783	LEU	0	0.040	-0.004	65.717	0.001	0.001	0.000	0.000	0.000	0.000
727	A	784	ILE	0	-0.077	-0.027	65.507	0.002	0.002	0.000	0.000	0.000	0.000
728	A	785	TYR	0	-0.115	-0.060	60.325	0.001	0.001	0.000	0.000	0.000	0.000
729	A	786	GLU	-1	-0.910	-0.942	66.223	-0.037	-0.037	0.000	0.000	0.000	0.000
730	A	787	LYS	1	0.889	0.942	69.526	0.036	0.036	0.000	0.000	0.000	0.000
731	A	788	TYR	0	-0.056	-0.020	66.604	0.001	0.001	0.000	0.000	0.000	0.000
732	A	789	GLN	0	0.000	-0.008	67.851	0.000	0.000	0.000	0.000	0.000	0.000
733	A	790	ASP	-1	-0.864	-0.926	62.283	-0.045	-0.045	0.000	0.000	0.000	0.000
734	A	791	ASP	-1	-0.928	-0.991	59.456	-0.045	-0.045	0.000	0.000	0.000	0.000
735	A	792	GLU	-1	-0.948	-0.971	58.384	-0.054	-0.054	0.000	0.000	0.000	0.000
736	A	793	TYR	0	0.059	0.048	60.737	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	794	LYS	1	0.951	0.996	62.254	0.041	0.041	0.000	0.000	0.000	0.000
738	A	795	ASN	0	-0.011	-0.018	57.492	0.000	0.000	0.000	0.000	0.000	0.000
739	A	796	SER	0	-0.051	-0.028	59.946	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	797	LEU	0	0.063	0.011	61.571	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	798	LEU	0	-0.028	-0.010	59.722	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	799	LYS	1	0.881	0.947	54.172	0.066	0.066	0.000	0.000	0.000	0.000
743	A	800	CYS	0	-0.009	0.010	59.872	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	801	ILE	0	0.015	0.008	63.019	0.000	0.000	0.000	0.000	0.000	0.000
745	A	802	LYS	1	0.905	0.953	56.185	0.061	0.061	0.000	0.000	0.000	0.000
746	A	803	TYR	0	-0.017	-0.023	55.294	-0.002	-0.002	0.000	0.000	0.000	0.000
747	A	804	GLN	0	-0.020	-0.006	60.854	0.000	0.000	0.000	0.000	0.000	0.000
748	A	805	GLU	-1	-0.949	-0.952	62.787	-0.052	-0.052	0.000	0.000	0.000	0.000
749	A	806	LEU	0	-0.084	-0.040	57.150	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	807	ASN	0	0.042	0.003	59.996	-0.004	-0.004	0.000	0.000	0.000	0.000
751	A	808	PRO	0	-0.061	-0.021	59.864	0.001	0.001	0.000	0.000	0.000	0.000
752	A	809	ILE	0	0.055	0.024	62.807	0.000	0.000	0.000	0.000	0.000	0.000
753	A	810	ARG	1	0.835	0.910	64.011	0.060	0.060	0.000	0.000	0.000	0.000
754	A	811	SER	0	0.041	0.022	59.733	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	812	LEU	0	0.054	0.004	54.876	0.000	0.000	0.000	0.000	0.000	0.000
756	A	813	ARG	1	0.988	0.996	56.537	0.066	0.066	0.000	0.000	0.000	0.000
757	A	814	TYR	0	-0.020	-0.002	57.604	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	815	CYS	0	-0.014	0.004	56.565	0.000	0.000	0.000	0.000	0.000	0.000
759	A	816	ASN	0	-0.029	-0.011	51.561	-0.004	-0.004	0.000	0.000	0.000	0.000
760	A	817	TYR	0	-0.007	-0.007	54.451	-0.002	-0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:14:SER)