FMO DATABASE

FMODB ID: LN869

Calculation Name: 4FNV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4FNV

Chain ID: A

ChEMBL ID:

UniProt ID: Q89YR9

Base Structure: X-ray

Registration Date: 2023-09-24

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	OptHSide
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	659
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15937685.921466
FMO2-HF: Nuclear repulsion	15675816.733323
FMO2-HF: Total energy	-261869.188144
FMO2-MP2: Total energy	-262639.247414

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:44:VAL)

Summations of interaction energy for fragment #1(A:44: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.
-7.734	-2.022	1.113	-2.729	-4.095	-0.01

Interaction energy analysis for fragmet #1(A:44:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.009 / 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	46	ASP	-1	-0.818	-0.910	2.862	-6.975	-2.700	0.391	-2.208	-2.458	-0.009
4	A	47	PRO	0	0.017	-0.015	3.976	0.658	0.891	0.000	-0.023	-0.210	0.000
5	A	48	GLN	0	0.033	0.027	6.840	0.398	0.398	0.000	0.000	0.000	0.000
6	A	49	VAL	0	-0.020	-0.018	8.398	0.249	0.249	0.000	0.000	0.000	0.000
7	A	50	PHE	0	-0.054	-0.037	6.847	0.203	0.203	0.000	0.000	0.000	0.000
8	A	51	GLU	-1	-0.917	-0.949	11.781	-0.421	-0.421	0.000	0.000	0.000	0.000
9	A	52	ALA	0	-0.004	0.005	13.165	0.110	0.110	0.000	0.000	0.000	0.000
10	A	53	ILE	0	-0.003	0.004	14.321	0.096	0.096	0.000	0.000	0.000	0.000
11	A	54	ASN	0	0.023	0.002	16.316	0.017	0.017	0.000	0.000	0.000	0.000
12	A	55	LEU	0	0.032	0.003	13.915	0.022	0.022	0.000	0.000	0.000	0.000
13	A	56	ASN	0	-0.042	-0.021	17.937	0.044	0.044	0.000	0.000	0.000	0.000
14	A	57	TYR	0	-0.003	0.016	20.935	0.032	0.032	0.000	0.000	0.000	0.000
15	A	58	PRO	0	0.012	-0.004	22.240	-0.004	-0.004	0.000	0.000	0.000	0.000
16	A	59	GLY	0	-0.014	-0.010	23.076	-0.010	-0.010	0.000	0.000	0.000	0.000
17	A	60	LEU	0	-0.038	-0.015	17.306	-0.020	-0.020	0.000	0.000	0.000	0.000
18	A	61	GLU	-1	-0.827	-0.912	18.545	-0.254	-0.254	0.000	0.000	0.000	0.000
19	A	62	LYS	1	0.986	0.980	18.060	0.167	0.167	0.000	0.000	0.000	0.000
20	A	63	VAL	0	-0.006	0.011	13.229	0.001	0.001	0.000	0.000	0.000	0.000
21	A	64	LYS	1	0.867	0.942	14.397	0.237	0.237	0.000	0.000	0.000	0.000
22	A	65	GLU	-1	-0.954	-0.970	16.230	-0.147	-0.147	0.000	0.000	0.000	0.000
23	A	66	PHE	0	-0.026	-0.022	12.711	0.033	0.033	0.000	0.000	0.000	0.000
24	A	67	TYR	0	-0.007	-0.004	9.868	0.011	0.011	0.000	0.000	0.000	0.000
25	A	68	GLU	-1	-0.923	-0.972	12.543	-0.256	-0.256	0.000	0.000	0.000	0.000
26	A	69	ALA	0	-0.058	-0.014	14.878	0.036	0.036	0.000	0.000	0.000	0.000
27	A	70	GLY	0	-0.024	-0.014	11.125	0.055	0.055	0.000	0.000	0.000	0.000
28	A	71	GLU	-1	-0.923	-0.962	9.718	0.146	0.146	0.000	0.000	0.000	0.000
29	A	72	HIS	0	0.020	-0.005	5.726	-0.292	-0.292	0.000	0.000	0.000	0.000
30	A	73	TYR	0	0.019	0.017	5.552	-0.208	-0.208	0.000	0.000	0.000	0.000
31	A	74	TYR	0	0.013	-0.001	7.275	-0.106	-0.106	0.000	0.000	0.000	0.000
32	A	75	ALA	0	0.017	0.019	10.076	-0.014	-0.014	0.000	0.000	0.000	0.000
33	A	76	ALA	0	0.023	0.011	7.878	0.006	0.006	0.000	0.000	0.000	0.000
34	A	77	ASN	0	-0.025	-0.023	9.939	0.039	0.039	0.000	0.000	0.000	0.000
35	A	78	ALA	0	-0.028	-0.012	11.412	0.058	0.058	0.000	0.000	0.000	0.000
36	A	79	LEU	0	0.014	0.010	12.356	0.042	0.042	0.000	0.000	0.000	0.000
37	A	80	LEU	0	0.005	-0.010	11.094	0.031	0.031	0.000	0.000	0.000	0.000
38	A	81	GLU	-1	-0.879	-0.941	14.048	-0.195	-0.195	0.000	0.000	0.000	0.000
39	A	82	TYR	0	-0.065	-0.031	17.037	0.052	0.052	0.000	0.000	0.000	0.000
40	A	83	TYR	0	0.006	-0.043	15.645	0.011	0.011	0.000	0.000	0.000	0.000
41	A	84	ARG	1	0.766	0.857	13.963	0.349	0.349	0.000	0.000	0.000	0.000
42	A	85	THR	0	-0.097	-0.057	19.394	0.040	0.040	0.000	0.000	0.000	0.000
43	A	86	ARG	1	0.773	0.903	20.992	0.370	0.370	0.000	0.000	0.000	0.000
44	A	87	THR	0	-0.038	-0.038	23.771	0.006	0.006	0.000	0.000	0.000	0.000
45	A	88	ASN	0	-0.033	-0.020	24.309	0.015	0.015	0.000	0.000	0.000	0.000
46	A	89	VAL	0	-0.008	0.024	24.826	0.005	0.005	0.000	0.000	0.000	0.000
47	A	90	THR	0	-0.002	-0.002	27.946	0.007	0.007	0.000	0.000	0.000	0.000
48	A	91	ASN	0	0.052	0.021	26.421	0.008	0.008	0.000	0.000	0.000	0.000
49	A	92	PRO	0	0.002	-0.002	29.350	0.005	0.005	0.000	0.000	0.000	0.000
50	A	93	ASN	0	-0.072	-0.045	30.283	0.017	0.017	0.000	0.000	0.000	0.000
51	A	94	LEU	0	-0.060	-0.013	24.924	0.001	0.001	0.000	0.000	0.000	0.000
52	A	95	SER	0	0.010	0.013	29.319	0.001	0.001	0.000	0.000	0.000	0.000
53	A	96	LEU	0	0.009	-0.013	24.287	0.002	0.002	0.000	0.000	0.000	0.000
54	A	97	ILE	0	-0.034	-0.008	28.517	0.007	0.007	0.000	0.000	0.000	0.000
55	A	98	ASN	0	-0.051	-0.035	31.708	0.005	0.005	0.000	0.000	0.000	0.000
56	A	99	VAL	0	0.022	0.024	27.488	0.001	0.001	0.000	0.000	0.000	0.000
57	A	100	THR	0	-0.011	-0.004	30.689	0.008	0.008	0.000	0.000	0.000	0.000
58	A	101	ILE	0	-0.020	-0.007	27.895	-0.010	-0.010	0.000	0.000	0.000	0.000
59	A	102	SER	0	-0.053	-0.041	31.694	0.009	0.009	0.000	0.000	0.000	0.000
60	A	103	GLU	-1	-0.864	-0.950	32.972	-0.042	-0.042	0.000	0.000	0.000	0.000
61	A	104	ALA	0	0.003	-0.001	33.749	0.001	0.001	0.000	0.000	0.000	0.000
62	A	105	GLU	-1	-0.815	-0.874	29.595	-0.109	-0.109	0.000	0.000	0.000	0.000
63	A	106	GLN	0	0.011	-0.014	27.877	-0.012	-0.012	0.000	0.000	0.000	0.000
64	A	107	ALA	0	0.038	0.024	29.184	0.003	0.003	0.000	0.000	0.000	0.000
65	A	108	LYS	1	0.852	0.938	27.738	0.103	0.103	0.000	0.000	0.000	0.000
66	A	109	ALA	0	-0.011	-0.005	24.965	-0.004	-0.004	0.000	0.000	0.000	0.000
67	A	110	ASP	-1	-0.747	-0.851	24.611	-0.037	-0.037	0.000	0.000	0.000	0.000
68	A	111	TYR	0	-0.062	-0.052	26.564	0.012	0.012	0.000	0.000	0.000	0.000
69	A	112	ALA	0	-0.030	-0.005	22.738	0.006	0.006	0.000	0.000	0.000	0.000
70	A	113	LEU	0	-0.055	-0.019	21.342	0.001	0.001	0.000	0.000	0.000	0.000
71	A	114	VAL	0	-0.026	-0.007	23.388	0.020	0.020	0.000	0.000	0.000	0.000
72	A	115	ASP	-1	-0.882	-0.938	25.348	0.017	0.017	0.000	0.000	0.000	0.000
73	A	116	TYR	0	0.000	0.002	18.217	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	117	ARG	1	0.830	0.912	24.131	0.010	0.010	0.000	0.000	0.000	0.000
75	A	118	PHE	0	0.014	0.010	20.321	-0.005	-0.005	0.000	0.000	0.000	0.000
76	A	119	HIS	0	0.057	0.021	25.929	0.009	0.009	0.000	0.000	0.000	0.000
77	A	120	VAL	0	0.013	0.011	27.779	-0.013	-0.013	0.000	0.000	0.000	0.000
78	A	121	ASN	0	-0.048	-0.045	30.230	0.012	0.012	0.000	0.000	0.000	0.000
79	A	122	ASN	0	-0.031	-0.024	33.253	0.001	0.001	0.000	0.000	0.000	0.000
80	A	123	PHE	0	0.017	0.023	33.320	0.005	0.005	0.000	0.000	0.000	0.000
81	A	124	TYR	0	-0.051	-0.039	33.809	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	125	GLU	-1	-0.831	-0.897	34.237	-0.019	-0.019	0.000	0.000	0.000	0.000
83	A	126	ASP	-1	-0.814	-0.905	36.103	-0.020	-0.020	0.000	0.000	0.000	0.000
84	A	127	LYS	1	0.888	0.940	37.823	0.052	0.052	0.000	0.000	0.000	0.000
85	A	128	GLU	-1	-0.955	-0.958	39.454	-0.023	-0.023	0.000	0.000	0.000	0.000
86	A	129	THR	0	-0.044	-0.040	37.419	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	130	LEU	0	-0.036	-0.012	34.863	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	131	LYS	1	0.875	0.959	33.180	0.015	0.015	0.000	0.000	0.000	0.000
89	A	132	PRO	0	0.019	0.010	29.301	0.000	0.000	0.000	0.000	0.000	0.000
90	A	133	TYR	0	0.020	-0.006	31.227	0.007	0.007	0.000	0.000	0.000	0.000
91	A	134	SER	0	-0.048	-0.037	27.488	-0.005	-0.005	0.000	0.000	0.000	0.000
92	A	135	VAL	0	0.005	0.007	23.662	0.002	0.002	0.000	0.000	0.000	0.000
93	A	136	LYS	1	0.864	0.929	24.214	-0.041	-0.041	0.000	0.000	0.000	0.000
94	A	137	GLN	0	-0.031	-0.027	24.624	-0.010	-0.010	0.000	0.000	0.000	0.000
95	A	138	ASP	-1	-0.886	-0.933	24.472	0.030	0.030	0.000	0.000	0.000	0.000
96	A	139	GLY	0	-0.074	-0.038	23.329	0.012	0.012	0.000	0.000	0.000	0.000
97	A	140	GLY	0	0.026	0.024	20.371	0.012	0.012	0.000	0.000	0.000	0.000
98	A	141	ILE	0	-0.018	-0.016	17.825	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	142	ASN	0	0.000	0.010	21.139	-0.018	-0.018	0.000	0.000	0.000	0.000
100	A	143	TRP	0	0.018	-0.012	17.836	-0.012	-0.012	0.000	0.000	0.000	0.000
101	A	144	GLU	-1	-0.877	-0.936	23.080	-0.134	-0.134	0.000	0.000	0.000	0.000
102	A	145	TYR	0	-0.060	-0.016	26.349	0.010	0.010	0.000	0.000	0.000	0.000
103	A	146	SER	0	0.028	-0.011	28.418	-0.013	-0.013	0.000	0.000	0.000	0.000
104	A	147	PRO	0	-0.026	0.011	31.723	0.007	0.007	0.000	0.000	0.000	0.000
105	A	148	LYS	1	0.943	0.965	34.627	0.021	0.021	0.000	0.000	0.000	0.000
106	A	149	ASP	-1	-0.933	-0.966	37.929	-0.037	-0.037	0.000	0.000	0.000	0.000
107	A	150	ALA	0	-0.049	-0.004	35.257	-0.002	-0.002	0.000	0.000	0.000	0.000
108	A	151	SER	0	0.028	0.020	37.246	-0.003	-0.003	0.000	0.000	0.000	0.000
109	A	152	ASP	-1	-0.774	-0.880	34.295	-0.090	-0.090	0.000	0.000	0.000	0.000
110	A	153	GLU	-1	-0.853	-0.934	32.824	-0.126	-0.126	0.000	0.000	0.000	0.000
111	A	154	TYR	0	0.021	0.025	28.892	-0.006	-0.006	0.000	0.000	0.000	0.000
112	A	155	GLN	0	0.025	-0.024	26.421	-0.019	-0.019	0.000	0.000	0.000	0.000
113	A	156	LYS	1	0.831	0.919	27.751	0.102	0.102	0.000	0.000	0.000	0.000
114	A	157	GLN	0	0.000	-0.009	27.804	-0.019	-0.019	0.000	0.000	0.000	0.000
115	A	158	LEU	0	0.010	0.024	24.452	-0.011	-0.011	0.000	0.000	0.000	0.000
116	A	159	HIS	0	0.026	0.021	22.408	-0.038	-0.038	0.000	0.000	0.000	0.000
117	A	160	ARG	1	0.777	0.888	23.299	0.128	0.128	0.000	0.000	0.000	0.000
118	A	161	HIS	1	0.824	0.936	18.795	0.285	0.285	0.000	0.000	0.000	0.000
119	A	162	GLN	0	0.063	0.026	23.098	0.005	0.005	0.000	0.000	0.000	0.000
120	A	163	TRP	0	-0.008	0.007	20.945	0.007	0.007	0.000	0.000	0.000	0.000
121	A	164	PHE	0	0.036	0.012	17.759	0.004	0.004	0.000	0.000	0.000	0.000
122	A	165	ILE	0	0.054	0.036	21.930	0.002	0.002	0.000	0.000	0.000	0.000
123	A	166	PRO	0	-0.051	-0.023	24.188	0.009	0.009	0.000	0.000	0.000	0.000
124	A	167	GLN	0	0.003	0.002	20.389	-0.011	-0.011	0.000	0.000	0.000	0.000
125	A	168	ALA	0	0.034	0.026	21.371	0.008	0.008	0.000	0.000	0.000	0.000
126	A	169	LYS	1	0.843	0.902	22.278	0.130	0.130	0.000	0.000	0.000	0.000
127	A	170	ALA	0	0.031	0.011	24.601	0.010	0.010	0.000	0.000	0.000	0.000
128	A	171	TYR	0	-0.083	-0.037	18.986	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	172	ARG	1	0.811	0.899	22.262	0.187	0.187	0.000	0.000	0.000	0.000
130	A	173	VAL	0	-0.044	-0.014	24.971	0.010	0.010	0.000	0.000	0.000	0.000
131	A	174	SER	0	-0.040	-0.044	25.431	0.012	0.012	0.000	0.000	0.000	0.000
132	A	175	GLY	0	0.000	0.010	23.529	0.012	0.012	0.000	0.000	0.000	0.000
133	A	176	ASP	-1	-0.855	-0.917	22.442	0.009	0.009	0.000	0.000	0.000	0.000
134	A	177	GLU	-1	-0.723	-0.845	16.832	-0.114	-0.114	0.000	0.000	0.000	0.000
135	A	178	LYS	1	0.844	0.929	17.702	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	179	TYR	0	-0.068	-0.068	18.884	-0.008	-0.008	0.000	0.000	0.000	0.000
137	A	180	ILE	0	0.000	0.006	14.206	-0.024	-0.024	0.000	0.000	0.000	0.000
138	A	181	GLN	0	-0.047	-0.033	13.809	-0.042	-0.042	0.000	0.000	0.000	0.000
139	A	182	SER	0	0.018	0.030	14.485	-0.015	-0.015	0.000	0.000	0.000	0.000
140	A	183	TRP	0	0.032	0.018	14.126	-0.042	-0.042	0.000	0.000	0.000	0.000
141	A	184	ILE	0	-0.007	-0.008	9.727	-0.040	-0.040	0.000	0.000	0.000	0.000
142	A	185	GLU	-1	-0.908	-0.939	12.069	-0.081	-0.081	0.000	0.000	0.000	0.000
143	A	186	VAL	0	-0.002	-0.012	13.265	-0.016	-0.016	0.000	0.000	0.000	0.000
144	A	187	TYR	0	-0.045	-0.040	13.871	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	188	LYS	1	0.959	0.989	6.412	0.753	0.753	0.000	0.000	0.000	0.000
146	A	189	ASN	0	0.009	0.026	11.438	-0.019	-0.019	0.000	0.000	0.000	0.000
147	A	190	TRP	0	-0.022	-0.023	14.025	0.012	0.012	0.000	0.000	0.000	0.000
148	A	191	ILE	0	0.000	-0.013	11.327	0.009	0.009	0.000	0.000	0.000	0.000
149	A	192	GLU	-1	-0.973	-0.977	10.733	-0.326	-0.326	0.000	0.000	0.000	0.000
150	A	193	ASN	0	-0.095	-0.055	12.995	0.077	0.077	0.000	0.000	0.000	0.000
151	A	194	ASN	0	-0.068	-0.031	16.523	0.064	0.064	0.000	0.000	0.000	0.000
152	A	195	PRO	0	0.063	0.041	16.472	-0.035	-0.035	0.000	0.000	0.000	0.000
153	A	196	LYS	1	0.829	0.916	17.510	0.492	0.492	0.000	0.000	0.000	0.000
154	A	197	PRO	0	-0.041	-0.020	19.780	0.008	0.008	0.000	0.000	0.000	0.000
155	A	198	THR	0	-0.020	-0.019	20.978	-0.009	-0.009	0.000	0.000	0.000	0.000
156	A	199	THR	0	-0.032	-0.024	23.266	0.009	0.009	0.000	0.000	0.000	0.000
157	A	200	GLY	0	0.047	0.034	25.880	0.013	0.013	0.000	0.000	0.000	0.000
158	A	201	PRO	0	-0.021	0.002	26.183	-0.010	-0.010	0.000	0.000	0.000	0.000
159	A	202	ASN	0	0.015	0.018	24.127	0.015	0.015	0.000	0.000	0.000	0.000
160	A	203	THR	0	0.017	-0.014	28.075	-0.004	-0.004	0.000	0.000	0.000	0.000
161	A	204	THR	0	-0.013	-0.006	26.734	0.003	0.003	0.000	0.000	0.000	0.000
162	A	205	SER	0	0.091	0.059	21.826	-0.007	-0.007	0.000	0.000	0.000	0.000
163	A	206	TRP	0	0.036	-0.013	17.854	-0.014	-0.014	0.000	0.000	0.000	0.000
164	A	207	TRP	0	0.016	0.025	24.479	0.008	0.008	0.000	0.000	0.000	0.000
165	A	208	GLN	0	0.077	0.005	27.116	-0.007	-0.007	0.000	0.000	0.000	0.000
166	A	209	LEU	0	0.024	0.023	27.889	-0.010	-0.010	0.000	0.000	0.000	0.000
167	A	210	GLN	0	-0.028	-0.001	24.931	0.006	0.006	0.000	0.000	0.000	0.000
168	A	211	VAL	0	0.013	0.018	22.175	-0.013	-0.013	0.000	0.000	0.000	0.000
169	A	212	SER	0	0.030	0.006	23.933	-0.018	-0.018	0.000	0.000	0.000	0.000
170	A	213	THR	0	-0.055	-0.041	26.224	0.002	0.002	0.000	0.000	0.000	0.000
171	A	214	ARG	1	0.784	0.888	19.842	0.320	0.320	0.000	0.000	0.000	0.000
172	A	215	ILE	0	-0.008	0.011	21.781	-0.022	-0.022	0.000	0.000	0.000	0.000
173	A	216	GLY	0	0.049	0.019	22.850	-0.009	-0.009	0.000	0.000	0.000	0.000
174	A	217	ASP	-1	-0.885	-0.950	22.551	-0.221	-0.221	0.000	0.000	0.000	0.000
175	A	218	GLN	0	0.007	-0.005	17.008	-0.065	-0.065	0.000	0.000	0.000	0.000
176	A	219	VAL	0	0.015	0.012	19.554	-0.027	-0.027	0.000	0.000	0.000	0.000
177	A	220	GLN	0	-0.039	-0.018	21.785	0.021	0.021	0.000	0.000	0.000	0.000
178	A	221	LEU	0	-0.042	-0.026	18.357	0.009	0.009	0.000	0.000	0.000	0.000
179	A	222	LEU	0	0.019	0.029	15.620	-0.005	-0.005	0.000	0.000	0.000	0.000
180	A	223	GLU	-1	-0.797	-0.881	18.039	-0.304	-0.304	0.000	0.000	0.000	0.000
181	A	224	TYR	0	-0.037	-0.037	20.965	0.034	0.034	0.000	0.000	0.000	0.000
182	A	225	PHE	0	0.044	0.015	16.150	0.039	0.039	0.000	0.000	0.000	0.000
183	A	226	LYS	1	0.867	0.958	15.547	0.289	0.289	0.000	0.000	0.000	0.000
184	A	227	ASN	0	-0.007	-0.012	15.793	-0.034	-0.034	0.000	0.000	0.000	0.000
185	A	228	SER	0	-0.011	0.007	15.317	0.031	0.031	0.000	0.000	0.000	0.000
186	A	229	VAL	0	0.008	-0.018	14.274	-0.052	-0.052	0.000	0.000	0.000	0.000
187	A	230	ASN	0	-0.043	-0.039	11.502	0.076	0.076	0.000	0.000	0.000	0.000
188	A	231	PHE	0	-0.038	-0.004	10.531	-0.099	-0.099	0.000	0.000	0.000	0.000
189	A	232	THR	0	-0.034	-0.033	5.744	-0.061	-0.061	0.000	0.000	0.000	0.000
190	A	233	PRO	0	0.063	0.021	7.208	-0.193	-0.193	0.000	0.000	0.000	0.000
191	A	234	GLU	-1	-0.835	-0.907	2.374	-2.122	-0.979	0.723	-0.488	-1.378	-0.001
192	A	235	TRP	0	-0.002	0.020	4.712	-0.436	-0.375	-0.001	-0.010	-0.049	0.000
193	A	236	LEU	0	0.018	0.019	7.075	0.115	0.115	0.000	0.000	0.000	0.000
194	A	237	SER	0	-0.031	-0.026	6.099	-0.219	-0.219	0.000	0.000	0.000	0.000
195	A	238	THR	0	0.033	0.009	5.999	0.174	0.174	0.000	0.000	0.000	0.000
196	A	239	PHE	0	-0.021	-0.011	8.400	0.362	0.362	0.000	0.000	0.000	0.000
197	A	240	LEU	0	-0.006	-0.012	11.694	0.176	0.176	0.000	0.000	0.000	0.000
198	A	241	VAL	0	-0.006	0.006	8.893	0.196	0.196	0.000	0.000	0.000	0.000
199	A	242	GLU	-1	-0.778	-0.904	11.843	-0.522	-0.522	0.000	0.000	0.000	0.000
200	A	243	PHE	0	-0.047	-0.016	13.718	0.154	0.154	0.000	0.000	0.000	0.000
201	A	244	ALA	0	0.000	-0.010	15.336	0.085	0.085	0.000	0.000	0.000	0.000
202	A	245	GLU	-1	-0.811	-0.877	14.155	-0.479	-0.479	0.000	0.000	0.000	0.000
203	A	246	GLN	0	-0.070	-0.045	17.036	0.138	0.138	0.000	0.000	0.000	0.000
204	A	247	ALA	0	0.025	0.001	19.895	0.049	0.049	0.000	0.000	0.000	0.000
205	A	248	ASP	-1	-0.800	-0.882	19.041	-0.405	-0.405	0.000	0.000	0.000	0.000
206	A	249	PHE	0	0.010	0.011	21.189	0.039	0.039	0.000	0.000	0.000	0.000
207	A	250	LEU	0	-0.051	-0.032	22.848	0.034	0.034	0.000	0.000	0.000	0.000
208	A	251	VAL	0	-0.029	-0.019	24.968	0.026	0.026	0.000	0.000	0.000	0.000
209	A	252	ASP	-1	-0.936	-0.953	23.390	-0.272	-0.272	0.000	0.000	0.000	0.000
210	A	253	TYR	0	-0.038	-0.012	24.240	0.018	0.018	0.000	0.000	0.000	0.000
211	A	254	PRO	0	0.026	0.023	28.831	0.000	0.000	0.000	0.000	0.000	0.000
212	A	255	TYR	0	-0.026	-0.028	31.652	0.009	0.009	0.000	0.000	0.000	0.000
213	A	256	GLU	-1	-0.899	-0.957	33.245	-0.132	-0.132	0.000	0.000	0.000	0.000
214	A	257	SER	0	-0.095	-0.038	36.167	0.007	0.007	0.000	0.000	0.000	0.000
215	A	258	GLY	0	0.011	0.018	37.643	0.006	0.006	0.000	0.000	0.000	0.000
216	A	259	GLY	0	0.040	0.002	37.842	-0.003	-0.003	0.000	0.000	0.000	0.000
217	A	260	ASN	0	-0.050	-0.079	36.890	-0.011	-0.011	0.000	0.000	0.000	0.000
218	A	261	ILE	0	-0.018	0.015	32.363	-0.006	-0.006	0.000	0.000	0.000	0.000
219	A	262	LEU	0	0.027	0.028	33.179	-0.012	-0.012	0.000	0.000	0.000	0.000
220	A	263	ILE	0	-0.027	-0.004	33.962	-0.008	-0.008	0.000	0.000	0.000	0.000
221	A	264	SER	0	-0.012	-0.024	31.772	-0.005	-0.005	0.000	0.000	0.000	0.000
222	A	265	GLN	0	-0.056	-0.028	28.689	-0.002	-0.002	0.000	0.000	0.000	0.000
223	A	266	ALA	0	-0.009	0.000	29.469	-0.016	-0.016	0.000	0.000	0.000	0.000
224	A	267	ASN	0	-0.017	-0.006	31.135	-0.019	-0.019	0.000	0.000	0.000	0.000
225	A	268	ALA	0	0.025	0.022	26.488	-0.010	-0.010	0.000	0.000	0.000	0.000
226	A	269	LEU	0	-0.029	-0.008	25.494	-0.021	-0.021	0.000	0.000	0.000	0.000
227	A	270	ALA	0	0.022	0.012	27.175	-0.013	-0.013	0.000	0.000	0.000	0.000
228	A	271	THR	0	-0.019	-0.010	25.980	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	272	ALA	0	-0.014	-0.008	22.734	-0.011	-0.011	0.000	0.000	0.000	0.000
230	A	273	GLY	0	-0.012	-0.019	23.736	-0.021	-0.021	0.000	0.000	0.000	0.000
231	A	274	THR	0	-0.039	-0.026	25.631	0.007	0.007	0.000	0.000	0.000	0.000
232	A	275	LEU	0	-0.011	-0.009	24.637	0.003	0.003	0.000	0.000	0.000	0.000
233	A	276	MET	0	-0.043	0.005	18.075	-0.006	-0.006	0.000	0.000	0.000	0.000
234	A	277	PRO	0	0.025	0.009	21.758	-0.023	-0.023	0.000	0.000	0.000	0.000
235	A	278	GLU	-1	-0.728	-0.829	19.414	-0.386	-0.386	0.000	0.000	0.000	0.000
236	A	279	PHE	0	0.007	0.003	14.907	-0.029	-0.029	0.000	0.000	0.000	0.000
237	A	280	LYS	1	0.832	0.923	16.782	0.569	0.569	0.000	0.000	0.000	0.000
238	A	281	ASN	0	-0.037	-0.030	20.145	0.049	0.049	0.000	0.000	0.000	0.000
239	A	282	ALA	0	0.028	0.037	22.314	0.024	0.024	0.000	0.000	0.000	0.000
240	A	283	GLU	-1	-0.840	-0.923	23.722	-0.181	-0.181	0.000	0.000	0.000	0.000
241	A	284	LYS	1	0.899	0.948	25.501	0.239	0.239	0.000	0.000	0.000	0.000
242	A	285	TRP	0	0.009	-0.006	18.745	0.024	0.024	0.000	0.000	0.000	0.000
243	A	286	MET	0	0.053	0.038	26.393	0.020	0.020	0.000	0.000	0.000	0.000
244	A	287	ASN	0	-0.039	-0.017	29.013	0.019	0.019	0.000	0.000	0.000	0.000
245	A	288	THR	0	-0.016	-0.017	29.230	0.016	0.016	0.000	0.000	0.000	0.000
246	A	289	GLY	0	0.047	0.024	30.299	0.011	0.011	0.000	0.000	0.000	0.000
247	A	290	TYR	0	-0.017	-0.038	31.613	0.015	0.015	0.000	0.000	0.000	0.000
248	A	291	GLN	0	-0.045	-0.019	34.422	0.009	0.009	0.000	0.000	0.000	0.000
249	A	292	ILE	0	0.054	0.036	32.453	0.008	0.008	0.000	0.000	0.000	0.000
250	A	293	LEU	0	-0.030	-0.017	34.038	0.010	0.010	0.000	0.000	0.000	0.000
251	A	294	SER	0	-0.074	-0.051	37.402	0.010	0.010	0.000	0.000	0.000	0.000
252	A	295	GLU	-1	-0.871	-0.917	38.488	-0.124	-0.124	0.000	0.000	0.000	0.000
253	A	296	GLU	-1	-0.783	-0.894	38.205	-0.109	-0.109	0.000	0.000	0.000	0.000
254	A	297	VAL	0	-0.059	-0.021	41.016	0.006	0.006	0.000	0.000	0.000	0.000
255	A	298	GLN	0	-0.015	-0.009	42.963	0.008	0.008	0.000	0.000	0.000	0.000
256	A	299	ASN	0	-0.056	-0.030	42.065	0.009	0.009	0.000	0.000	0.000	0.000
257	A	300	GLN	0	-0.074	-0.068	39.358	0.008	0.008	0.000	0.000	0.000	0.000
258	A	301	ILE	0	-0.032	0.000	44.224	0.002	0.002	0.000	0.000	0.000	0.000
259	A	302	MET	0	-0.006	0.018	47.273	0.002	0.002	0.000	0.000	0.000	0.000
260	A	303	SER	0	0.040	0.014	50.813	0.000	0.000	0.000	0.000	0.000	0.000
261	A	304	ASP	-1	-0.790	-0.908	53.219	-0.063	-0.063	0.000	0.000	0.000	0.000
262	A	305	GLY	0	0.010	-0.012	51.024	0.001	0.001	0.000	0.000	0.000	0.000
263	A	306	TRP	0	-0.017	-0.014	48.028	-0.004	-0.004	0.000	0.000	0.000	0.000
264	A	307	HIS	0	-0.002	0.002	41.906	0.003	0.003	0.000	0.000	0.000	0.000
265	A	308	LYS	1	0.860	0.895	45.673	0.089	0.089	0.000	0.000	0.000	0.000
266	A	309	GLU	-1	-0.830	-0.882	41.141	-0.100	-0.100	0.000	0.000	0.000	0.000
267	A	310	MET	0	-0.086	-0.011	45.758	0.004	0.004	0.000	0.000	0.000	0.000
268	A	311	SER	0	0.013	-0.001	44.300	0.003	0.003	0.000	0.000	0.000	0.000
269	A	312	LEU	0	0.062	0.011	45.363	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	313	HIS	0	-0.020	-0.007	38.081	0.001	0.001	0.000	0.000	0.000	0.000
271	A	314	TYR	0	0.016	-0.028	37.406	-0.005	-0.005	0.000	0.000	0.000	0.000
272	A	315	HIS	0	-0.002	0.017	41.297	-0.006	-0.006	0.000	0.000	0.000	0.000
273	A	316	ILE	0	-0.052	-0.039	41.249	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	317	GLY	0	-0.030	-0.005	38.644	-0.003	-0.003	0.000	0.000	0.000	0.000
275	A	318	ILE	0	0.056	0.023	38.066	-0.006	-0.006	0.000	0.000	0.000	0.000
276	A	319	VAL	0	-0.007	-0.005	39.587	-0.003	-0.003	0.000	0.000	0.000	0.000
277	A	320	ALA	0	-0.039	-0.013	37.663	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	321	ASP	-1	-0.766	-0.871	33.865	-0.159	-0.159	0.000	0.000	0.000	0.000
279	A	322	PHE	0	-0.010	-0.017	36.128	-0.006	-0.006	0.000	0.000	0.000	0.000
280	A	323	TYR	0	-0.049	-0.070	38.571	-0.003	-0.003	0.000	0.000	0.000	0.000
281	A	324	GLU	-1	-0.831	-0.917	33.970	-0.142	-0.142	0.000	0.000	0.000	0.000
282	A	325	ALA	0	0.021	0.021	34.134	-0.007	-0.007	0.000	0.000	0.000	0.000
283	A	326	MET	0	-0.020	-0.003	35.167	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	327	LYS	1	0.823	0.896	36.390	0.109	0.109	0.000	0.000	0.000	0.000
285	A	328	LEU	0	-0.027	0.002	29.595	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	329	ALA	0	0.020	0.014	33.560	-0.005	-0.005	0.000	0.000	0.000	0.000
287	A	330	GLU	-1	-0.892	-0.935	35.254	-0.111	-0.111	0.000	0.000	0.000	0.000
288	A	331	ALA	0	-0.069	-0.031	33.684	0.003	0.003	0.000	0.000	0.000	0.000
289	A	332	ASN	0	-0.036	-0.042	30.437	-0.011	-0.011	0.000	0.000	0.000	0.000
290	A	333	GLN	0	-0.054	-0.020	33.421	-0.007	-0.007	0.000	0.000	0.000	0.000
291	A	334	LEU	0	0.028	0.004	31.181	0.001	0.001	0.000	0.000	0.000	0.000
292	A	335	SER	0	0.039	0.012	35.799	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	336	SER	0	-0.036	-0.018	38.925	0.003	0.003	0.000	0.000	0.000	0.000
294	A	337	LYS	1	0.784	0.891	32.691	0.182	0.182	0.000	0.000	0.000	0.000
295	A	338	LEU	0	-0.013	0.011	37.266	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	339	PRO	0	0.024	0.016	39.889	0.003	0.003	0.000	0.000	0.000	0.000
297	A	340	SER	0	0.006	-0.006	43.620	0.000	0.000	0.000	0.000	0.000	0.000
298	A	341	ASP	-1	-0.943	-0.974	46.157	-0.088	-0.088	0.000	0.000	0.000	0.000
299	A	342	PHE	0	-0.002	0.009	39.379	0.001	0.001	0.000	0.000	0.000	0.000
300	A	343	THR	0	0.053	0.002	43.476	0.000	0.000	0.000	0.000	0.000	0.000
301	A	344	GLU	-1	-0.784	-0.844	45.631	-0.070	-0.070	0.000	0.000	0.000	0.000
302	A	345	PRO	0	-0.004	-0.001	46.545	0.004	0.004	0.000	0.000	0.000	0.000
303	A	346	LEU	0	-0.004	-0.016	42.711	0.002	0.002	0.000	0.000	0.000	0.000
304	A	347	ARG	1	0.818	0.894	47.051	0.072	0.072	0.000	0.000	0.000	0.000
305	A	348	LYS	1	0.949	0.967	50.422	0.065	0.065	0.000	0.000	0.000	0.000
306	A	349	ALA	0	0.042	0.031	46.959	0.002	0.002	0.000	0.000	0.000	0.000
307	A	350	ALA	0	0.015	0.008	47.895	0.001	0.001	0.000	0.000	0.000	0.000
308	A	351	GLU	-1	-0.890	-0.950	48.967	-0.058	-0.058	0.000	0.000	0.000	0.000
309	A	352	VAL	0	-0.013	-0.002	49.910	0.003	0.003	0.000	0.000	0.000	0.000
310	A	353	VAL	0	0.000	0.005	46.525	0.002	0.002	0.000	0.000	0.000	0.000
311	A	354	MET	0	-0.037	-0.009	49.837	0.003	0.003	0.000	0.000	0.000	0.000
312	A	355	TYR	0	-0.007	-0.030	52.770	0.003	0.003	0.000	0.000	0.000	0.000
313	A	356	PHE	0	-0.038	-0.009	51.066	0.002	0.002	0.000	0.000	0.000	0.000
314	A	357	THR	0	-0.027	-0.014	50.882	-0.002	-0.002	0.000	0.000	0.000	0.000
315	A	358	TYR	0	-0.045	-0.049	52.698	0.002	0.002	0.000	0.000	0.000	0.000
316	A	359	PRO	0	0.014	-0.003	54.912	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	360	ASN	0	-0.010	-0.016	54.177	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	361	TYR	0	-0.028	-0.021	48.548	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	362	PHE	0	-0.016	-0.009	52.634	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	363	ILE	0	-0.022	0.010	55.231	0.001	0.001	0.000	0.000	0.000	0.000
321	A	364	LYS	1	0.883	0.930	51.536	0.040	0.040	0.000	0.000	0.000	0.000
322	A	365	GLY	0	0.019	0.004	51.475	0.002	0.002	0.000	0.000	0.000	0.000
323	A	366	SER	0	-0.023	-0.017	49.047	-0.002	-0.002	0.000	0.000	0.000	0.000
324	A	367	ASP	-1	-0.784	-0.853	49.235	-0.043	-0.043	0.000	0.000	0.000	0.000
325	A	368	ASN	0	0.047	0.007	48.987	-0.004	-0.004	0.000	0.000	0.000	0.000
326	A	369	VAL	0	-0.014	-0.008	49.187	0.002	0.002	0.000	0.000	0.000	0.000
327	A	370	VAL	0	-0.013	0.009	47.584	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	371	PRO	0	-0.001	0.014	51.026	0.002	0.002	0.000	0.000	0.000	0.000
329	A	372	MET	0	-0.126	-0.045	48.728	-0.004	-0.004	0.000	0.000	0.000	0.000
330	A	373	PHE	0	0.066	0.028	50.097	0.001	0.001	0.000	0.000	0.000	0.000
331	A	374	ASN	0	0.029	0.005	48.294	-0.003	-0.003	0.000	0.000	0.000	0.000
332	A	375	ASP	-1	-0.724	-0.815	43.295	-0.073	-0.073	0.000	0.000	0.000	0.000
333	A	376	SER	0	-0.001	0.014	44.215	-0.007	-0.007	0.000	0.000	0.000	0.000
334	A	377	TRP	0	-0.001	-0.007	39.031	0.004	0.004	0.000	0.000	0.000	0.000
335	A	378	SER	0	-0.027	-0.023	45.067	0.000	0.000	0.000	0.000	0.000	0.000
336	A	379	ARG	1	0.903	0.963	41.161	0.079	0.079	0.000	0.000	0.000	0.000
337	A	380	THR	0	0.033	0.016	42.578	0.003	0.003	0.000	0.000	0.000	0.000
338	A	381	ARG	1	0.863	0.896	45.396	0.044	0.044	0.000	0.000	0.000	0.000
339	A	382	ASN	0	0.014	0.011	40.756	0.000	0.000	0.000	0.000	0.000	0.000
340	A	383	VAL	0	0.007	0.018	39.905	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	384	LEU	0	0.065	0.025	42.373	-0.003	-0.003	0.000	0.000	0.000	0.000
342	A	385	LYS	1	0.782	0.898	45.462	0.055	0.055	0.000	0.000	0.000	0.000
343	A	386	ASN	0	-0.028	-0.030	42.060	0.000	0.000	0.000	0.000	0.000	0.000
344	A	387	THR	0	-0.011	0.002	38.400	-0.006	-0.006	0.000	0.000	0.000	0.000
345	A	388	ASN	0	0.060	0.029	40.987	0.002	0.002	0.000	0.000	0.000	0.000
346	A	389	PHE	0	0.071	0.013	43.423	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	390	LYS	1	0.855	0.939	38.515	0.099	0.099	0.000	0.000	0.000	0.000
348	A	391	GLN	0	-0.018	-0.007	37.856	0.005	0.005	0.000	0.000	0.000	0.000
349	A	392	TYR	0	0.025	0.002	42.975	0.002	0.002	0.000	0.000	0.000	0.000
350	A	393	VAL	0	-0.009	-0.008	46.345	0.002	0.002	0.000	0.000	0.000	0.000
351	A	394	GLU	-1	-0.863	-0.906	42.356	-0.097	-0.097	0.000	0.000	0.000	0.000
352	A	395	MET	0	-0.010	0.016	43.702	-0.002	-0.002	0.000	0.000	0.000	0.000
353	A	396	PHE	0	-0.060	-0.024	45.979	0.002	0.002	0.000	0.000	0.000	0.000
354	A	397	PRO	0	0.020	0.016	48.621	0.003	0.003	0.000	0.000	0.000	0.000
355	A	398	ASP	-1	-0.939	-0.968	50.928	-0.060	-0.060	0.000	0.000	0.000	0.000
356	A	399	SER	0	-0.053	-0.019	52.845	0.002	0.002	0.000	0.000	0.000	0.000
357	A	400	GLU	-1	-0.797	-0.891	54.292	-0.046	-0.046	0.000	0.000	0.000	0.000
358	A	401	GLU	-1	-0.830	-0.919	56.024	-0.053	-0.053	0.000	0.000	0.000	0.000
359	A	402	LEU	0	0.025	-0.001	49.941	0.000	0.000	0.000	0.000	0.000	0.000
360	A	403	LYS	1	0.947	0.989	51.044	0.058	0.058	0.000	0.000	0.000	0.000
361	A	404	TYR	0	0.001	0.022	52.996	0.001	0.001	0.000	0.000	0.000	0.000
362	A	405	MET	0	-0.030	0.005	51.500	0.002	0.002	0.000	0.000	0.000	0.000
363	A	406	GLN	0	0.000	0.015	46.308	0.002	0.002	0.000	0.000	0.000	0.000
364	A	407	THR	0	-0.039	-0.033	50.013	0.002	0.002	0.000	0.000	0.000	0.000
365	A	408	ALA	0	0.020	0.004	52.221	0.001	0.001	0.000	0.000	0.000	0.000
366	A	409	GLY	0	0.017	0.021	50.781	0.001	0.001	0.000	0.000	0.000	0.000
367	A	410	ASN	0	-0.023	-0.028	48.333	0.002	0.002	0.000	0.000	0.000	0.000
368	A	411	GLY	0	0.007	0.012	51.569	0.001	0.001	0.000	0.000	0.000	0.000
369	A	412	GLY	0	-0.064	-0.009	52.875	0.001	0.001	0.000	0.000	0.000	0.000
370	A	413	THR	0	-0.007	-0.013	53.701	0.001	0.001	0.000	0.000	0.000	0.000
371	A	414	ALA	0	-0.001	-0.001	55.248	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	415	GLN	0	0.002	-0.007	53.904	0.000	0.000	0.000	0.000	0.000	0.000
373	A	416	GLY	0	0.042	0.027	56.756	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	417	ARG	1	0.788	0.860	58.349	0.045	0.045	0.000	0.000	0.000	0.000
375	A	418	THR	0	0.004	0.005	58.652	-0.001	-0.001	0.000	0.000	0.000	0.000
376	A	419	PRO	0	0.040	0.024	58.472	0.001	0.001	0.000	0.000	0.000	0.000
377	A	420	ASN	0	-0.023	-0.014	61.548	0.000	0.000	0.000	0.000	0.000	0.000
378	A	421	ASN	0	-0.020	-0.029	63.582	-0.002	-0.002	0.000	0.000	0.000	0.000
379	A	422	ASP	-1	-0.817	-0.885	65.075	-0.039	-0.039	0.000	0.000	0.000	0.000
380	A	423	MET	0	-0.048	-0.013	63.805	-0.002	-0.002	0.000	0.000	0.000	0.000
381	A	424	LYS	1	0.876	0.945	57.155	0.054	0.054	0.000	0.000	0.000	0.000
382	A	425	LEU	0	-0.030	-0.022	60.269	0.000	0.000	0.000	0.000	0.000	0.000
383	A	426	PHE	0	-0.009	0.000	54.823	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	427	ASP	-1	-0.857	-0.929	57.339	-0.054	-0.054	0.000	0.000	0.000	0.000
385	A	428	GLN	0	-0.056	-0.032	53.958	0.000	0.000	0.000	0.000	0.000	0.000
386	A	429	ALA	0	0.037	0.006	51.938	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	430	GLY	0	-0.010	0.013	53.564	0.001	0.001	0.000	0.000	0.000	0.000
388	A	431	TYR	0	-0.020	-0.023	50.542	0.002	0.002	0.000	0.000	0.000	0.000
389	A	432	TYR	0	0.003	-0.005	57.056	0.000	0.000	0.000	0.000	0.000	0.000
390	A	433	VAL	0	-0.010	-0.002	57.293	0.001	0.001	0.000	0.000	0.000	0.000
391	A	434	LEU	0	0.031	0.020	60.516	0.001	0.001	0.000	0.000	0.000	0.000
392	A	435	ARG	1	0.930	0.966	57.997	0.045	0.045	0.000	0.000	0.000	0.000
393	A	436	ASN	0	0.013	0.004	64.424	0.000	0.000	0.000	0.000	0.000	0.000
394	A	437	GLY	0	0.001	0.001	64.763	0.001	0.001	0.000	0.000	0.000	0.000
395	A	438	TRP	0	-0.007	-0.019	56.632	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	439	THR	0	0.012	0.019	60.076	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	440	PRO	0	0.036	0.009	59.210	0.000	0.000	0.000	0.000	0.000	0.000
398	A	441	ALA	0	0.055	0.031	61.217	0.000	0.000	0.000	0.000	0.000	0.000
399	A	442	SER	0	-0.043	-0.009	62.968	0.001	0.001	0.000	0.000	0.000	0.000
400	A	443	THR	0	-0.016	-0.011	63.748	0.000	0.000	0.000	0.000	0.000	0.000
401	A	444	VAL	0	-0.010	-0.010	58.868	0.000	0.000	0.000	0.000	0.000	0.000
402	A	445	MET	0	-0.012	0.012	61.107	0.000	0.000	0.000	0.000	0.000	0.000
403	A	446	ILE	0	0.001	0.015	55.488	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	447	LEU	0	-0.009	-0.010	58.997	0.001	0.001	0.000	0.000	0.000	0.000
405	A	448	SER	0	0.056	0.032	54.901	-0.002	-0.002	0.000	0.000	0.000	0.000
406	A	449	ASN	0	-0.053	-0.033	57.128	0.002	0.002	0.000	0.000	0.000	0.000
407	A	450	ASN	0	0.057	0.039	53.058	0.000	0.000	0.000	0.000	0.000	0.000
408	A	451	LYS	1	0.853	0.922	53.935	0.059	0.059	0.000	0.000	0.000	0.000
409	A	452	SER	0	-0.021	-0.011	51.047	-0.001	-0.001	0.000	0.000	0.000	0.000
410	A	453	ASN	0	-0.029	-0.036	48.156	-0.002	-0.002	0.000	0.000	0.000	0.000
411	A	454	ASP	-1	-0.837	-0.910	46.094	-0.084	-0.084	0.000	0.000	0.000	0.000
412	A	455	ALA	0	0.052	0.035	43.571	-0.003	-0.003	0.000	0.000	0.000	0.000
413	A	456	SER	0	-0.024	-0.008	44.375	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	457	ASN	0	0.014	0.004	45.103	0.005	0.005	0.000	0.000	0.000	0.000
415	A	458	SER	0	0.018	0.018	46.935	0.004	0.004	0.000	0.000	0.000	0.000
416	A	459	LEU	0	0.023	0.021	48.981	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	460	SER	0	-0.024	-0.007	46.936	0.003	0.003	0.000	0.000	0.000	0.000
418	A	461	ALA	0	0.029	0.009	45.853	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	462	TYR	0	0.063	0.026	41.591	0.001	0.001	0.000	0.000	0.000	0.000
420	A	463	SER	0	-0.047	-0.017	42.599	-0.006	-0.006	0.000	0.000	0.000	0.000
421	A	464	HIS	1	0.872	0.918	39.440	0.094	0.094	0.000	0.000	0.000	0.000
422	A	465	ASN	0	0.056	0.034	44.918	0.001	0.001	0.000	0.000	0.000	0.000
423	A	466	GLN	0	0.001	-0.002	48.537	0.003	0.003	0.000	0.000	0.000	0.000
424	A	467	PRO	0	-0.039	-0.009	50.975	0.000	0.000	0.000	0.000	0.000	0.000
425	A	468	ASP	-1	-0.863	-0.948	53.607	-0.050	-0.050	0.000	0.000	0.000	0.000
426	A	469	ASN	0	-0.058	-0.050	56.231	0.000	0.000	0.000	0.000	0.000	0.000
427	A	470	GLY	0	0.016	0.013	58.560	0.002	0.002	0.000	0.000	0.000	0.000
428	A	471	THR	0	0.010	0.035	56.059	0.003	0.003	0.000	0.000	0.000	0.000
429	A	472	PHE	0	-0.003	-0.017	59.083	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	473	GLU	-1	-0.718	-0.804	53.933	-0.048	-0.048	0.000	0.000	0.000	0.000
431	A	474	LEU	0	-0.030	-0.031	58.698	0.001	0.001	0.000	0.000	0.000	0.000
432	A	475	TYR	0	-0.022	-0.003	57.928	0.000	0.000	0.000	0.000	0.000	0.000
433	A	476	HIS	0	-0.012	-0.041	60.583	0.001	0.001	0.000	0.000	0.000	0.000
434	A	477	ASN	0	-0.008	0.001	63.691	0.000	0.000	0.000	0.000	0.000	0.000
435	A	478	GLY	0	0.022	0.014	60.119	0.001	0.001	0.000	0.000	0.000	0.000
436	A	479	ARG	1	0.827	0.928	59.370	0.029	0.029	0.000	0.000	0.000	0.000
437	A	480	ASN	0	0.016	-0.014	55.347	0.001	0.001	0.000	0.000	0.000	0.000
438	A	481	PHE	0	-0.002	-0.027	58.956	0.001	0.001	0.000	0.000	0.000	0.000
439	A	482	PHE	0	-0.018	-0.009	59.870	0.001	0.001	0.000	0.000	0.000	0.000
440	A	483	PRO	0	0.002	0.032	54.461	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	484	ASP	-1	-0.736	-0.882	52.524	-0.047	-0.047	0.000	0.000	0.000	0.000
442	A	485	SER	0	-0.023	-0.023	52.763	0.001	0.001	0.000	0.000	0.000	0.000
443	A	486	GLY	0	0.027	0.031	49.166	0.000	0.000	0.000	0.000	0.000	0.000
444	A	487	VAL	0	-0.025	-0.011	43.329	0.000	0.000	0.000	0.000	0.000	0.000
445	A	488	CYS	0	-0.032	0.010	45.177	0.001	0.001	0.000	0.000	0.000	0.000
446	A	489	THR	0	0.022	-0.005	41.502	-0.002	-0.002	0.000	0.000	0.000	0.000
447	A	490	TYR	0	0.005	0.013	37.653	-0.002	-0.002	0.000	0.000	0.000	0.000
448	A	491	TYR	0	-0.003	-0.010	39.398	0.003	0.003	0.000	0.000	0.000	0.000
449	A	492	THR	0	0.043	0.021	38.229	-0.006	-0.006	0.000	0.000	0.000	0.000
450	A	493	SER	0	-0.016	-0.035	36.385	0.003	0.003	0.000	0.000	0.000	0.000
451	A	494	GLY	0	-0.066	-0.028	38.534	0.002	0.002	0.000	0.000	0.000	0.000
452	A	495	GLY	0	0.021	0.015	40.577	0.004	0.004	0.000	0.000	0.000	0.000
453	A	496	ASP	-1	-0.865	-0.914	41.615	-0.041	-0.041	0.000	0.000	0.000	0.000
454	A	497	ASN	0	-0.034	-0.052	42.491	-0.006	-0.006	0.000	0.000	0.000	0.000
455	A	498	ASP	-1	-0.877	-0.927	45.403	-0.039	-0.039	0.000	0.000	0.000	0.000
456	A	499	LEU	0	-0.016	-0.023	45.118	0.000	0.000	0.000	0.000	0.000	0.000
457	A	500	ARG	1	0.769	0.857	43.580	0.068	0.068	0.000	0.000	0.000	0.000
458	A	501	TYR	0	-0.008	-0.027	46.425	-0.002	-0.002	0.000	0.000	0.000	0.000
459	A	502	TRP	0	-0.045	-0.012	49.724	0.001	0.001	0.000	0.000	0.000	0.000
460	A	503	PHE	0	-0.025	-0.032	48.752	0.002	0.002	0.000	0.000	0.000	0.000
461	A	504	ARG	1	0.812	0.913	47.145	0.061	0.061	0.000	0.000	0.000	0.000
462	A	505	GLY	0	-0.026	0.004	51.410	0.000	0.000	0.000	0.000	0.000	0.000
463	A	506	ILE	0	0.036	0.003	54.984	0.000	0.000	0.000	0.000	0.000	0.000
464	A	507	ASP	-1	-0.813	-0.892	57.715	-0.035	-0.035	0.000	0.000	0.000	0.000
465	A	508	LYS	1	0.799	0.899	55.058	0.037	0.037	0.000	0.000	0.000	0.000
466	A	509	HIS	1	0.833	0.919	52.752	0.047	0.047	0.000	0.000	0.000	0.000
467	A	510	ASN	0	0.006	0.015	58.020	0.003	0.003	0.000	0.000	0.000	0.000
468	A	511	THR	0	0.023	-0.011	60.054	0.000	0.000	0.000	0.000	0.000	0.000
469	A	512	LEU	0	0.003	0.029	62.950	0.002	0.002	0.000	0.000	0.000	0.000
470	A	513	SER	0	-0.014	-0.005	62.092	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	514	ILE	0	0.029	0.006	64.091	0.001	0.001	0.000	0.000	0.000	0.000
472	A	515	GLY	0	0.036	0.016	64.152	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	516	LYS	1	0.850	0.927	61.236	0.029	0.029	0.000	0.000	0.000	0.000
474	A	517	GLN	0	-0.028	0.008	59.800	0.000	0.000	0.000	0.000	0.000	0.000
475	A	518	ASN	0	0.034	0.026	54.264	0.001	0.001	0.000	0.000	0.000	0.000
476	A	519	ILE	0	-0.039	0.009	56.899	0.001	0.001	0.000	0.000	0.000	0.000
477	A	520	LYS	1	0.949	0.957	56.371	0.041	0.041	0.000	0.000	0.000	0.000
478	A	521	LYS	1	0.927	0.975	56.010	0.044	0.044	0.000	0.000	0.000	0.000
479	A	522	ALA	0	0.078	0.053	54.141	0.002	0.002	0.000	0.000	0.000	0.000
480	A	523	ALA	0	-0.041	-0.032	55.790	-0.002	-0.002	0.000	0.000	0.000	0.000
481	A	524	GLY	0	-0.002	0.011	58.045	0.002	0.002	0.000	0.000	0.000	0.000
482	A	525	LYS	1	0.839	0.915	59.918	0.039	0.039	0.000	0.000	0.000	0.000
483	A	526	LEU	0	0.016	0.000	62.721	0.001	0.001	0.000	0.000	0.000	0.000
484	A	527	LEU	0	-0.104	-0.052	64.309	0.000	0.000	0.000	0.000	0.000	0.000
485	A	528	LYS	1	0.849	0.916	68.092	0.033	0.033	0.000	0.000	0.000	0.000
486	A	529	SER	0	-0.001	0.001	67.066	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	530	GLU	-1	-0.875	-0.927	69.217	-0.033	-0.033	0.000	0.000	0.000	0.000
488	A	531	GLU	-1	-0.892	-0.935	70.502	-0.036	-0.036	0.000	0.000	0.000	0.000
489	A	532	GLY	0	0.038	0.002	71.965	0.001	0.001	0.000	0.000	0.000	0.000
490	A	533	ALA	0	-0.041	-0.025	73.739	0.000	0.000	0.000	0.000	0.000	0.000
491	A	534	THR	0	0.001	-0.001	74.254	0.000	0.000	0.000	0.000	0.000	0.000
492	A	535	GLU	-1	-0.830	-0.877	68.286	-0.037	-0.037	0.000	0.000	0.000	0.000
493	A	536	LEU	0	-0.033	-0.017	70.815	0.001	0.001	0.000	0.000	0.000	0.000
494	A	537	VAL	0	0.042	0.022	65.061	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	538	VAL	0	-0.021	-0.003	67.977	0.001	0.001	0.000	0.000	0.000	0.000
496	A	539	PHE	0	0.047	0.017	62.969	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	540	GLU	-1	-0.742	-0.861	64.777	-0.036	-0.036	0.000	0.000	0.000	0.000
498	A	541	ASN	0	0.073	0.031	59.415	-0.003	-0.003	0.000	0.000	0.000	0.000
499	A	542	GLN	0	-0.042	-0.016	62.789	0.002	0.002	0.000	0.000	0.000	0.000
500	A	543	GLY	0	0.026	0.007	60.415	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	544	TYR	0	0.022	-0.021	60.474	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	545	ASP	-1	-0.920	-0.953	63.049	-0.036	-0.036	0.000	0.000	0.000	0.000
503	A	546	ASN	0	0.017	0.008	64.782	0.000	0.000	0.000	0.000	0.000	0.000
504	A	547	LEU	0	-0.027	-0.016	66.385	0.001	0.001	0.000	0.000	0.000	0.000
505	A	548	LYS	1	0.845	0.914	65.660	0.034	0.034	0.000	0.000	0.000	0.000
506	A	549	HIS	0	-0.063	-0.027	64.383	0.000	0.000	0.000	0.000	0.000	0.000
507	A	550	ARG	1	0.801	0.871	65.959	0.030	0.030	0.000	0.000	0.000	0.000
508	A	551	ARG	1	0.769	0.838	63.452	0.037	0.037	0.000	0.000	0.000	0.000
509	A	552	ALA	0	-0.018	0.000	67.733	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	553	VAL	0	0.005	-0.002	65.895	0.001	0.001	0.000	0.000	0.000	0.000
511	A	554	PHE	0	0.019	0.007	69.228	0.000	0.000	0.000	0.000	0.000	0.000
512	A	555	TYR	0	-0.001	-0.008	67.388	0.000	0.000	0.000	0.000	0.000	0.000
513	A	556	VAL	0	0.031	0.003	71.004	0.000	0.000	0.000	0.000	0.000	0.000
514	A	557	ASN	0	-0.024	-0.025	74.402	0.000	0.000	0.000	0.000	0.000	0.000
515	A	558	LYS	1	0.802	0.903	67.417	0.036	0.036	0.000	0.000	0.000	0.000
516	A	559	LYS	1	0.885	0.962	71.116	0.024	0.024	0.000	0.000	0.000	0.000
517	A	560	PHE	0	-0.020	-0.015	71.009	0.000	0.000	0.000	0.000	0.000	0.000
518	A	561	PHE	0	0.027	0.006	66.039	0.000	0.000	0.000	0.000	0.000	0.000
519	A	562	VAL	0	0.017	0.010	70.696	0.001	0.001	0.000	0.000	0.000	0.000
520	A	563	LEU	0	-0.019	0.001	66.174	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	564	VAL	0	0.000	-0.007	70.503	0.001	0.001	0.000	0.000	0.000	0.000
522	A	565	ASP	-1	-0.736	-0.821	67.825	-0.034	-0.034	0.000	0.000	0.000	0.000
523	A	566	GLU	-1	-0.759	-0.875	70.255	-0.028	-0.028	0.000	0.000	0.000	0.000
524	A	567	GLY	0	0.020	0.010	69.505	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	568	ILE	0	-0.034	-0.030	70.079	0.001	0.001	0.000	0.000	0.000	0.000
526	A	569	GLY	0	0.044	0.024	70.335	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	570	ASN	0	-0.004	-0.005	71.909	0.000	0.000	0.000	0.000	0.000	0.000
528	A	571	ALA	0	-0.002	0.016	69.126	0.001	0.001	0.000	0.000	0.000	0.000
529	A	572	GLU	-1	-0.957	-0.975	71.023	-0.024	-0.024	0.000	0.000	0.000	0.000
530	A	573	GLY	0	0.070	0.040	70.439	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	574	THR	0	-0.039	-0.016	69.261	0.000	0.000	0.000	0.000	0.000	0.000
532	A	575	ILE	0	-0.014	-0.011	68.455	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	576	ASN	0	-0.040	-0.051	65.318	0.000	0.000	0.000	0.000	0.000	0.000
534	A	577	LEU	0	-0.020	-0.001	66.032	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	578	SER	0	-0.009	-0.033	61.476	0.001	0.001	0.000	0.000	0.000	0.000
536	A	579	PHE	0	-0.037	-0.012	63.154	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	580	ASN	0	0.007	0.015	58.591	0.001	0.001	0.000	0.000	0.000	0.000
538	A	581	LEU	0	0.004	0.004	60.185	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	582	CYS	0	-0.040	-0.005	58.675	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	583	GLU	-1	-0.804	-0.879	53.989	-0.036	-0.036	0.000	0.000	0.000	0.000
541	A	584	GLY	0	-0.001	-0.001	58.548	0.000	0.000	0.000	0.000	0.000	0.000
542	A	585	THR	0	-0.049	-0.051	61.018	0.001	0.001	0.000	0.000	0.000	0.000
543	A	586	ALA	0	0.013	-0.007	62.769	0.000	0.000	0.000	0.000	0.000	0.000
544	A	587	SER	0	-0.025	-0.017	65.402	0.000	0.000	0.000	0.000	0.000	0.000
545	A	588	GLU	-1	-0.831	-0.882	63.095	-0.024	-0.024	0.000	0.000	0.000	0.000
546	A	589	VAL	0	-0.019	-0.004	63.001	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	590	VAL	0	0.005	0.008	66.191	0.000	0.000	0.000	0.000	0.000	0.000
548	A	591	MET	0	-0.012	-0.001	67.838	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	592	ASP	-1	-0.805	-0.870	70.333	-0.020	-0.020	0.000	0.000	0.000	0.000
550	A	593	THR	0	0.043	-0.009	72.535	0.000	0.000	0.000	0.000	0.000	0.000
551	A	594	ASP	-1	-0.859	-0.919	74.054	-0.018	-0.018	0.000	0.000	0.000	0.000
552	A	595	LYS	1	0.812	0.897	76.266	0.018	0.018	0.000	0.000	0.000	0.000
553	A	596	ASN	0	-0.012	-0.006	73.748	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	597	GLY	0	0.054	0.011	71.012	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	598	VAL	0	-0.026	0.013	66.901	0.001	0.001	0.000	0.000	0.000	0.000
556	A	599	HIS	1	0.886	0.929	70.070	0.021	0.021	0.000	0.000	0.000	0.000
557	A	600	THR	0	0.020	0.000	65.416	0.000	0.000	0.000	0.000	0.000	0.000
558	A	601	ALA	0	-0.044	-0.021	67.887	0.001	0.001	0.000	0.000	0.000	0.000
559	A	602	PHE	0	0.008	-0.003	62.227	0.000	0.000	0.000	0.000	0.000	0.000
560	A	603	SER	0	0.036	0.011	65.819	0.000	0.000	0.000	0.000	0.000	0.000
561	A	604	ASN	0	0.014	0.004	64.217	0.001	0.001	0.000	0.000	0.000	0.000
562	A	605	ASN	0	-0.016	-0.005	67.250	0.000	0.000	0.000	0.000	0.000	0.000
563	A	606	ASN	0	-0.009	0.017	63.950	0.000	0.000	0.000	0.000	0.000	0.000
564	A	607	ASN	0	0.054	0.033	66.474	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	608	ILE	0	0.033	0.026	65.733	0.000	0.000	0.000	0.000	0.000	0.000
566	A	609	ILE	0	-0.013	-0.006	69.311	0.001	0.001	0.000	0.000	0.000	0.000
567	A	610	VAL	0	-0.013	0.000	67.621	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	611	ARG	1	0.820	0.904	71.105	0.023	0.023	0.000	0.000	0.000	0.000
569	A	612	THR	0	0.013	0.004	71.309	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	613	PHE	0	-0.017	-0.007	73.891	0.001	0.001	0.000	0.000	0.000	0.000
571	A	614	ALA	0	0.024	0.003	75.603	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	615	ASN	0	-0.030	-0.018	77.398	0.000	0.000	0.000	0.000	0.000	0.000
573	A	616	LYS	1	0.835	0.929	77.080	0.024	0.024	0.000	0.000	0.000	0.000
574	A	617	ALA	0	-0.011	-0.004	78.754	0.000	0.000	0.000	0.000	0.000	0.000
575	A	618	VAL	0	-0.010	-0.008	74.568	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	619	THR	0	-0.034	-0.010	73.051	0.001	0.001	0.000	0.000	0.000	0.000
577	A	620	CYS	0	-0.035	0.010	70.917	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	621	SER	0	-0.008	-0.029	68.405	0.001	0.001	0.000	0.000	0.000	0.000
579	A	622	PRO	0	-0.022	-0.024	66.754	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	623	PHE	0	-0.057	-0.020	59.231	0.001	0.001	0.000	0.000	0.000	0.000
581	A	624	THR	0	0.008	0.000	58.354	0.000	0.000	0.000	0.000	0.000	0.000
582	A	625	GLY	0	0.043	0.028	57.746	-0.001	-0.001	0.000	0.000	0.000	0.000
583	A	626	ARG	1	0.881	0.937	51.611	0.036	0.036	0.000	0.000	0.000	0.000
584	A	627	ILE	0	-0.013	0.010	51.584	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	628	ALA	0	0.020	0.020	46.726	0.001	0.001	0.000	0.000	0.000	0.000
586	A	629	TYR	0	-0.017	-0.049	47.135	-0.003	-0.003	0.000	0.000	0.000	0.000
587	A	630	LEU	0	0.004	0.020	41.297	-0.004	-0.004	0.000	0.000	0.000	0.000
588	A	631	VAL	0	-0.047	-0.018	39.731	0.003	0.003	0.000	0.000	0.000	0.000
589	A	632	ASP	-1	-0.810	-0.931	39.438	-0.059	-0.059	0.000	0.000	0.000	0.000
590	A	633	GLY	0	-0.005	0.015	40.753	0.003	0.003	0.000	0.000	0.000	0.000
591	A	634	ALA	0	-0.008	0.009	43.257	0.004	0.004	0.000	0.000	0.000	0.000
592	A	635	TYR	0	-0.015	-0.035	45.814	-0.002	-0.002	0.000	0.000	0.000	0.000
593	A	636	ASN	0	-0.038	-0.018	49.307	0.003	0.003	0.000	0.000	0.000	0.000
594	A	637	THR	0	-0.011	-0.012	52.644	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	638	ARG	1	0.782	0.873	55.429	0.038	0.038	0.000	0.000	0.000	0.000
596	A	639	GLN	0	-0.042	-0.015	58.658	0.001	0.001	0.000	0.000	0.000	0.000
597	A	640	SER	0	0.024	-0.006	59.784	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	641	TYR	0	0.034	0.002	62.720	0.002	0.002	0.000	0.000	0.000	0.000
599	A	642	THR	0	-0.028	-0.028	64.473	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	643	ILE	0	-0.008	0.007	66.928	0.001	0.001	0.000	0.000	0.000	0.000
601	A	644	ASP	-1	-0.768	-0.845	68.659	-0.027	-0.027	0.000	0.000	0.000	0.000
602	A	645	MET	0	0.004	0.017	71.319	0.001	0.001	0.000	0.000	0.000	0.000
603	A	646	ASN	0	-0.008	0.006	72.781	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	647	LYS	1	0.754	0.874	72.345	0.028	0.028	0.000	0.000	0.000	0.000
605	A	648	SER	0	0.065	0.018	74.718	0.000	0.000	0.000	0.000	0.000	0.000
606	A	649	ALA	0	-0.010	-0.016	75.286	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	650	ASP	-1	-0.928	-0.970	76.347	-0.023	-0.023	0.000	0.000	0.000	0.000
608	A	651	GLU	-1	-0.787	-0.860	77.627	-0.023	-0.023	0.000	0.000	0.000	0.000
609	A	652	THR	0	-0.019	-0.020	74.204	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	653	ALA	0	0.000	0.004	72.191	0.001	0.001	0.000	0.000	0.000	0.000
611	A	654	ARG	1	0.724	0.818	73.522	0.025	0.025	0.000	0.000	0.000	0.000
612	A	655	TYR	0	0.028	0.002	70.495	0.001	0.001	0.000	0.000	0.000	0.000
613	A	656	ILE	0	0.002	0.000	73.715	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	657	THR	0	0.014	0.013	69.309	0.001	0.001	0.000	0.000	0.000	0.000
615	A	658	VAL	0	-0.006	0.010	72.129	-0.001	-0.001	0.000	0.000	0.000	0.000
616	A	659	ILE	0	0.003	-0.002	66.287	0.000	0.000	0.000	0.000	0.000	0.000
617	A	660	LEU	0	0.007	-0.008	70.377	0.000	0.000	0.000	0.000	0.000	0.000
618	A	661	PRO	0	0.034	0.011	68.611	0.001	0.001	0.000	0.000	0.000	0.000
619	A	662	VAL	0	-0.039	-0.020	70.522	0.001	0.001	0.000	0.000	0.000	0.000
620	A	663	ASN	0	-0.029	-0.008	71.302	0.000	0.000	0.000	0.000	0.000	0.000
621	A	664	GLY	0	0.008	-0.006	72.010	0.001	0.001	0.000	0.000	0.000	0.000
622	A	665	SER	0	-0.024	-0.038	73.121	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	666	THR	0	0.048	0.016	72.149	0.000	0.000	0.000	0.000	0.000	0.000
624	A	667	ASP	-1	-0.926	-0.937	75.396	-0.018	-0.018	0.000	0.000	0.000	0.000
625	A	668	THR	0	-0.046	-0.027	78.419	0.000	0.000	0.000	0.000	0.000	0.000
626	A	669	SER	0	-0.039	-0.004	77.081	0.000	0.000	0.000	0.000	0.000	0.000
627	A	670	SER	0	-0.037	-0.021	79.082	0.000	0.000	0.000	0.000	0.000	0.000
628	A	671	ILE	0	0.028	0.002	75.493	0.000	0.000	0.000	0.000	0.000	0.000
629	A	672	SER	0	-0.032	-0.008	79.677	0.000	0.000	0.000	0.000	0.000	0.000
630	A	673	ALA	0	0.031	0.015	78.594	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	674	LYS	1	0.805	0.912	80.568	0.021	0.021	0.000	0.000	0.000	0.000
632	A	675	PHE	0	0.020	-0.008	76.058	0.000	0.000	0.000	0.000	0.000	0.000
633	A	676	ILE	0	-0.027	-0.017	81.797	0.001	0.001	0.000	0.000	0.000	0.000
634	A	677	ASP	-1	-0.743	-0.826	80.473	-0.025	-0.025	0.000	0.000	0.000	0.000
635	A	678	SER	0	0.001	-0.013	84.161	0.000	0.000	0.000	0.000	0.000	0.000
636	A	679	GLY	0	-0.015	-0.005	81.686	0.000	0.000	0.000	0.000	0.000	0.000
637	A	680	TYR	0	0.010	-0.007	74.198	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	681	SER	0	0.014	0.013	78.212	0.000	0.000	0.000	0.000	0.000	0.000
639	A	682	GLU	-1	-0.911	-0.963	74.877	-0.031	-0.031	0.000	0.000	0.000	0.000
640	A	683	ASN	0	0.004	-0.003	75.183	-0.002	-0.002	0.000	0.000	0.000	0.000
641	A	684	SER	0	-0.039	0.005	77.426	0.000	0.000	0.000	0.000	0.000	0.000
642	A	685	ALA	0	0.020	0.021	76.222	0.000	0.000	0.000	0.000	0.000	0.000
643	A	686	SER	0	-0.012	0.002	78.210	0.000	0.000	0.000	0.000	0.000	0.000
644	A	687	VAL	0	-0.015	-0.003	77.173	0.001	0.001	0.000	0.000	0.000	0.000
645	A	688	GLU	-1	-0.835	-0.904	80.429	-0.021	-0.021	0.000	0.000	0.000	0.000
646	A	689	VAL	0	0.010	-0.009	77.169	0.000	0.000	0.000	0.000	0.000	0.000
647	A	690	SER	0	-0.006	-0.006	80.496	0.000	0.000	0.000	0.000	0.000	0.000
648	A	691	VAL	0	0.019	-0.002	77.294	0.000	0.000	0.000	0.000	0.000	0.000
649	A	692	ASN	0	-0.011	-0.013	78.936	0.000	0.000	0.000	0.000	0.000	0.000
650	A	693	GLY	0	-0.006	-0.001	82.539	0.000	0.000	0.000	0.000	0.000	0.000
651	A	694	GLU	-1	-0.885	-0.929	80.940	-0.023	-0.023	0.000	0.000	0.000	0.000
652	A	695	THR	0	0.006	-0.010	82.997	0.000	0.000	0.000	0.000	0.000	0.000
653	A	696	HIS	0	-0.051	-0.014	80.045	0.000	0.000	0.000	0.000	0.000	0.000
654	A	697	THR	0	0.002	-0.005	81.787	0.000	0.000	0.000	0.000	0.000	0.000
655	A	698	LEU	0	-0.027	-0.009	76.115	0.000	0.000	0.000	0.000	0.000	0.000
656	A	699	SER	0	0.006	-0.020	78.971	0.000	0.000	0.000	0.000	0.000	0.000
657	A	700	TYR	0	0.012	0.003	73.478	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	701	THR	0	0.026	-0.001	77.296	0.001	0.001	0.000	0.000	0.000	0.000
659	A	702	LEU	0	-0.033	-0.011	72.215	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:44:VAL)