FMO DATABASE

FMODB ID: 4313N

Calculation Name: 3NOW-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3NOW

Chain ID: A

ChEMBL ID:

UniProt ID: Q960B1

Base Structure: X-ray

Registration Date: 2023-06-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	786
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19150998.682478
FMO2-HF: Nuclear repulsion	18839552.273275
FMO2-HF: Total energy	-311446.409204
FMO2-MP2: Total energy	-312332.74823

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:138:ASN)

Summations of interaction energy for fragment #1(A:138:ASN)

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.
-27.748	-23.602	10.926	-6.698	-8.374	0.01

Interaction energy analysis for fragmet #1(A:138:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.103 / q_NPA : 0.041

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	140	LYS	1	0.974	0.975	3.847	-6.080	-4.690	0.000	-0.575	-0.815	0.002
4	A	141	THR	0	0.049	0.017	1.872	-13.393	-13.830	8.450	-4.038	-3.974	0.018
5	A	142	SER	0	0.024	-0.006	3.141	-1.592	-0.874	0.010	-0.271	-0.458	0.000
6	A	143	THR	0	-0.064	-0.021	5.351	-0.234	-0.156	-0.001	-0.002	-0.074	0.000
7	A	144	LYS	1	0.978	0.983	7.874	-2.739	-2.739	0.000	0.000	0.000	0.000
8	A	145	VAL	0	0.038	0.029	7.080	-0.213	-0.213	0.000	0.000	0.000	0.000
9	A	146	LYS	1	0.845	0.906	8.823	0.114	0.114	0.000	0.000	0.000	0.000
10	A	147	GLN	0	-0.005	-0.004	11.588	0.096	0.096	0.000	0.000	0.000	0.000
11	A	148	MET	0	0.030	0.028	13.027	-0.143	-0.143	0.000	0.000	0.000	0.000
12	A	149	MET	0	-0.018	0.017	12.529	-0.109	-0.109	0.000	0.000	0.000	0.000
13	A	150	ASP	-1	-0.868	-0.938	15.147	0.118	0.118	0.000	0.000	0.000	0.000
14	A	151	LEU	0	-0.033	-0.019	17.419	-0.030	-0.030	0.000	0.000	0.000	0.000
15	A	152	THR	0	-0.014	-0.025	17.673	-0.017	-0.017	0.000	0.000	0.000	0.000
16	A	153	PHE	0	-0.053	-0.050	17.222	-0.041	-0.041	0.000	0.000	0.000	0.000
17	A	154	ASP	-1	-0.841	-0.905	21.542	0.165	0.165	0.000	0.000	0.000	0.000
18	A	155	LEU	0	-0.027	-0.035	23.540	0.025	0.025	0.000	0.000	0.000	0.000
19	A	156	ALA	0	-0.023	0.009	26.364	-0.002	-0.002	0.000	0.000	0.000	0.000
20	A	157	THR	0	-0.050	-0.025	22.348	0.022	0.022	0.000	0.000	0.000	0.000
21	A	158	PRO	0	0.044	0.020	25.727	-0.010	-0.010	0.000	0.000	0.000	0.000
22	A	159	ILE	0	0.015	-0.005	26.803	0.010	0.010	0.000	0.000	0.000	0.000
23	A	160	ASP	-1	-0.827	-0.907	23.027	0.426	0.426	0.000	0.000	0.000	0.000
24	A	161	LYS	1	0.879	0.965	22.050	-0.173	-0.173	0.000	0.000	0.000	0.000
25	A	162	ARG	1	0.799	0.871	21.934	-0.247	-0.247	0.000	0.000	0.000	0.000
26	A	163	ARG	1	0.808	0.887	20.236	-0.434	-0.434	0.000	0.000	0.000	0.000
27	A	164	ALA	0	-0.001	-0.002	17.519	0.081	0.081	0.000	0.000	0.000	0.000
28	A	165	ALA	0	0.015	0.012	17.020	0.058	0.058	0.000	0.000	0.000	0.000
29	A	166	ALA	0	0.027	0.013	17.972	0.023	0.023	0.000	0.000	0.000	0.000
30	A	167	ASN	0	-0.059	-0.041	13.832	0.179	0.179	0.000	0.000	0.000	0.000
31	A	168	ASN	0	0.016	-0.012	13.334	0.258	0.258	0.000	0.000	0.000	0.000
32	A	169	LEU	0	0.007	0.002	13.215	0.075	0.075	0.000	0.000	0.000	0.000
33	A	170	VAL	0	-0.033	-0.008	12.239	-0.025	-0.025	0.000	0.000	0.000	0.000
34	A	171	VAL	0	-0.061	-0.019	7.573	0.139	0.139	0.000	0.000	0.000	0.000
35	A	172	LEU	0	0.021	0.002	8.620	0.235	0.235	0.000	0.000	0.000	0.000
36	A	173	ALA	0	-0.012	0.001	10.842	-0.273	-0.273	0.000	0.000	0.000	0.000
37	A	174	LYS	1	0.820	0.900	11.800	-0.129	-0.129	0.000	0.000	0.000	0.000
38	A	175	GLU	-1	-0.914	-0.962	6.688	2.742	2.742	0.000	0.000	0.000	0.000
39	A	176	GLN	0	0.033	0.040	7.213	0.118	0.118	0.000	0.000	0.000	0.000
40	A	177	THR	0	0.009	0.007	2.480	-6.596	-4.733	2.465	-1.704	-2.625	-0.010
41	A	178	GLY	0	-0.015	0.002	4.348	1.877	2.230	0.000	-0.071	-0.281	0.000
42	A	179	ALA	0	0.012	-0.006	6.482	-0.477	-0.477	0.000	0.000	0.000	0.000
43	A	180	GLU	-1	-0.894	-0.975	6.232	-4.022	-4.022	0.000	0.000	0.000	0.000
44	A	181	LEU	0	-0.053	-0.019	3.697	-0.330	-0.149	0.002	-0.037	-0.147	0.000
45	A	182	LEU	0	0.049	0.013	7.977	0.055	0.055	0.000	0.000	0.000	0.000
46	A	183	TYR	0	-0.053	-0.042	11.221	0.036	0.036	0.000	0.000	0.000	0.000
47	A	184	LYS	1	0.959	0.978	9.207	1.765	1.765	0.000	0.000	0.000	0.000
48	A	185	ASP	-1	-0.856	-0.911	10.544	-0.358	-0.358	0.000	0.000	0.000	0.000
49	A	186	HIS	0	-0.011	-0.008	12.997	0.157	0.157	0.000	0.000	0.000	0.000
50	A	187	CYS	0	-0.039	-0.012	14.351	0.088	0.088	0.000	0.000	0.000	0.000
51	A	188	ILE	0	0.039	0.029	16.326	0.055	0.055	0.000	0.000	0.000	0.000
52	A	189	ALA	0	0.099	0.057	19.210	0.042	0.042	0.000	0.000	0.000	0.000
53	A	190	LYS	1	0.853	0.949	15.766	-0.021	-0.021	0.000	0.000	0.000	0.000
54	A	191	VAL	0	0.048	0.016	19.290	0.031	0.031	0.000	0.000	0.000	0.000
55	A	192	ALA	0	0.032	0.029	21.900	0.013	0.013	0.000	0.000	0.000	0.000
56	A	193	SER	0	-0.103	-0.047	24.013	-0.003	-0.003	0.000	0.000	0.000	0.000
57	A	194	LEU	0	0.009	0.001	22.939	0.004	0.004	0.000	0.000	0.000	0.000
58	A	195	THR	0	-0.035	-0.033	24.729	0.001	0.001	0.000	0.000	0.000	0.000
59	A	196	LYS	1	0.877	0.950	27.217	0.023	0.023	0.000	0.000	0.000	0.000
60	A	197	VAL	0	0.002	-0.003	29.167	0.000	0.000	0.000	0.000	0.000	0.000
61	A	198	GLU	-1	-0.735	-0.856	26.855	0.178	0.178	0.000	0.000	0.000	0.000
62	A	199	LYS	1	0.776	0.864	29.599	-0.093	-0.093	0.000	0.000	0.000	0.000
63	A	200	ASP	-1	-0.786	-0.866	28.063	0.227	0.227	0.000	0.000	0.000	0.000
64	A	201	GLN	0	0.037	-0.015	28.376	0.005	0.005	0.000	0.000	0.000	0.000
65	A	202	ASP	-1	-0.847	-0.902	25.525	0.301	0.301	0.000	0.000	0.000	0.000
66	A	203	ILE	0	0.003	0.002	23.155	0.020	0.020	0.000	0.000	0.000	0.000
67	A	204	TYR	0	-0.010	-0.002	23.688	-0.002	-0.002	0.000	0.000	0.000	0.000
68	A	205	VAL	0	0.015	0.005	24.866	-0.010	-0.010	0.000	0.000	0.000	0.000
69	A	206	ASN	0	-0.053	-0.037	20.461	0.031	0.031	0.000	0.000	0.000	0.000
70	A	207	MET	0	-0.030	-0.009	18.662	0.003	0.003	0.000	0.000	0.000	0.000
71	A	208	VAL	0	0.010	0.001	20.970	-0.031	-0.031	0.000	0.000	0.000	0.000
72	A	209	HIS	0	0.017	-0.002	20.041	-0.035	-0.035	0.000	0.000	0.000	0.000
73	A	210	LEU	0	-0.010	0.004	14.802	-0.002	-0.002	0.000	0.000	0.000	0.000
74	A	211	VAL	0	0.014	0.009	16.899	-0.042	-0.042	0.000	0.000	0.000	0.000
75	A	212	ALA	0	0.028	0.017	18.798	-0.060	-0.060	0.000	0.000	0.000	0.000
76	A	213	ALA	0	0.000	-0.006	14.507	-0.051	-0.051	0.000	0.000	0.000	0.000
77	A	214	LEU	0	-0.027	-0.005	12.970	-0.075	-0.075	0.000	0.000	0.000	0.000
78	A	215	CYS	0	-0.017	0.000	15.058	-0.138	-0.138	0.000	0.000	0.000	0.000
79	A	216	GLU	-1	-0.812	-0.886	14.945	0.033	0.033	0.000	0.000	0.000	0.000
80	A	217	ASN	0	-0.086	-0.054	14.839	-0.074	-0.074	0.000	0.000	0.000	0.000
81	A	218	SER	0	0.026	0.027	13.924	-0.089	-0.089	0.000	0.000	0.000	0.000
82	A	219	VAL	0	0.018	0.007	16.126	0.047	0.047	0.000	0.000	0.000	0.000
83	A	220	GLU	-1	-0.875	-0.931	14.995	-0.812	-0.812	0.000	0.000	0.000	0.000
84	A	221	ARG	1	0.882	0.930	10.821	0.847	0.847	0.000	0.000	0.000	0.000
85	A	222	THR	0	-0.007	-0.002	17.116	0.090	0.090	0.000	0.000	0.000	0.000
86	A	223	LYS	1	0.822	0.894	20.172	0.411	0.411	0.000	0.000	0.000	0.000
87	A	224	GLY	0	0.021	0.034	20.054	0.027	0.027	0.000	0.000	0.000	0.000
88	A	225	VAL	0	0.020	-0.006	19.111	0.042	0.042	0.000	0.000	0.000	0.000
89	A	226	LEU	0	-0.042	-0.026	21.784	0.032	0.032	0.000	0.000	0.000	0.000
90	A	227	THR	0	-0.079	-0.035	24.377	0.019	0.019	0.000	0.000	0.000	0.000
91	A	228	GLU	-1	-0.913	-0.969	20.384	-0.237	-0.237	0.000	0.000	0.000	0.000
92	A	229	LEU	0	-0.063	-0.039	23.356	0.033	0.033	0.000	0.000	0.000	0.000
93	A	230	GLY	0	0.056	0.042	26.529	-0.005	-0.005	0.000	0.000	0.000	0.000
94	A	231	VAL	0	0.080	0.020	29.230	0.017	0.017	0.000	0.000	0.000	0.000
95	A	232	PRO	0	0.011	-0.006	30.286	0.014	0.014	0.000	0.000	0.000	0.000
96	A	233	TRP	0	-0.015	0.014	24.375	0.009	0.009	0.000	0.000	0.000	0.000
97	A	234	PHE	0	0.076	0.021	23.895	0.019	0.019	0.000	0.000	0.000	0.000
98	A	235	MET	0	-0.003	0.004	29.518	0.013	0.013	0.000	0.000	0.000	0.000
99	A	236	ARG	1	0.890	0.931	32.596	0.044	0.044	0.000	0.000	0.000	0.000
100	A	237	VAL	0	-0.038	-0.001	27.783	0.011	0.011	0.000	0.000	0.000	0.000
101	A	238	LEU	0	-0.023	-0.016	31.180	0.011	0.011	0.000	0.000	0.000	0.000
102	A	239	ASP	-1	-0.770	-0.865	33.590	0.018	0.018	0.000	0.000	0.000	0.000
103	A	240	GLN	0	0.021	0.025	31.235	0.005	0.005	0.000	0.000	0.000	0.000
104	A	241	LYS	1	0.836	0.929	34.902	-0.019	-0.019	0.000	0.000	0.000	0.000
105	A	242	HIS	0	-0.002	0.008	33.739	0.002	0.002	0.000	0.000	0.000	0.000
106	A	243	GLU	-1	-0.875	-0.950	34.062	0.117	0.117	0.000	0.000	0.000	0.000
107	A	244	ASN	0	-0.015	-0.005	28.187	-0.004	-0.004	0.000	0.000	0.000	0.000
108	A	245	CYS	0	0.008	0.051	29.561	0.005	0.005	0.000	0.000	0.000	0.000
109	A	246	VAL	0	0.065	0.005	30.066	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	247	SER	0	-0.008	-0.009	29.369	-0.015	-0.015	0.000	0.000	0.000	0.000
111	A	248	THR	0	-0.012	-0.015	24.697	0.001	0.001	0.000	0.000	0.000	0.000
112	A	249	ALA	0	0.036	0.013	26.100	-0.011	-0.011	0.000	0.000	0.000	0.000
113	A	250	GLN	0	-0.049	-0.022	27.993	-0.012	-0.012	0.000	0.000	0.000	0.000
114	A	251	PHE	0	-0.003	0.012	20.058	-0.019	-0.019	0.000	0.000	0.000	0.000
115	A	252	CYS	0	-0.042	0.001	23.274	-0.018	-0.018	0.000	0.000	0.000	0.000
116	A	253	LEU	0	0.014	-0.001	24.158	-0.031	-0.031	0.000	0.000	0.000	0.000
117	A	254	GLN	0	0.011	0.016	25.902	-0.013	-0.013	0.000	0.000	0.000	0.000
118	A	255	THR	0	-0.051	-0.036	19.504	-0.020	-0.020	0.000	0.000	0.000	0.000
119	A	256	ILE	0	0.014	0.003	21.869	-0.043	-0.043	0.000	0.000	0.000	0.000
120	A	257	LEU	0	0.023	0.015	23.543	-0.035	-0.035	0.000	0.000	0.000	0.000
121	A	258	ASN	0	0.003	0.020	22.430	-0.019	-0.019	0.000	0.000	0.000	0.000
122	A	259	ALA	0	-0.026	-0.004	19.811	-0.029	-0.029	0.000	0.000	0.000	0.000
123	A	260	LEU	0	-0.040	-0.026	21.327	-0.043	-0.043	0.000	0.000	0.000	0.000
124	A	261	SER	0	0.017	-0.004	24.355	-0.011	-0.011	0.000	0.000	0.000	0.000
125	A	262	GLY	0	0.038	0.020	22.347	0.000	0.000	0.000	0.000	0.000	0.000
126	A	263	LEU	0	-0.013	0.026	23.393	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	264	LYS	1	0.826	0.894	19.776	0.305	0.305	0.000	0.000	0.000	0.000
128	A	265	ASN	0	0.018	0.009	21.319	0.013	0.013	0.000	0.000	0.000	0.000
129	A	266	LYS	1	0.924	0.958	20.927	0.138	0.138	0.000	0.000	0.000	0.000
130	A	267	PRO	0	0.088	0.034	24.625	-0.015	-0.015	0.000	0.000	0.000	0.000
131	A	268	ASP	-1	-0.791	-0.878	28.006	-0.069	-0.069	0.000	0.000	0.000	0.000
132	A	269	SER	0	-0.062	-0.015	24.800	-0.023	-0.023	0.000	0.000	0.000	0.000
133	A	270	LYS	1	0.869	0.909	27.269	0.098	0.098	0.000	0.000	0.000	0.000
134	A	271	PRO	0	0.010	0.010	26.931	-0.016	-0.016	0.000	0.000	0.000	0.000
135	A	272	ASP	-1	-0.814	-0.886	23.246	-0.308	-0.308	0.000	0.000	0.000	0.000
136	A	273	LYS	1	0.995	0.990	26.866	0.201	0.201	0.000	0.000	0.000	0.000
137	A	274	GLU	-1	-0.864	-0.897	25.931	-0.379	-0.379	0.000	0.000	0.000	0.000
138	A	275	LEU	0	0.042	0.019	21.662	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	276	CYS	0	-0.010	0.005	26.301	0.008	0.008	0.000	0.000	0.000	0.000
140	A	277	THR	0	-0.046	-0.022	29.384	0.019	0.019	0.000	0.000	0.000	0.000
141	A	278	ARG	1	0.811	0.871	21.778	0.454	0.454	0.000	0.000	0.000	0.000
142	A	279	ASN	0	-0.011	-0.012	23.822	-0.028	-0.028	0.000	0.000	0.000	0.000
143	A	280	ASN	0	0.083	0.042	28.051	0.003	0.003	0.000	0.000	0.000	0.000
144	A	281	ARG	1	0.846	0.928	29.195	0.270	0.270	0.000	0.000	0.000	0.000
145	A	282	GLU	-1	-0.784	-0.876	27.162	-0.270	-0.270	0.000	0.000	0.000	0.000
146	A	283	ILE	0	0.006	0.003	28.090	0.015	0.015	0.000	0.000	0.000	0.000
147	A	284	ASP	-1	-0.767	-0.848	30.609	-0.112	-0.112	0.000	0.000	0.000	0.000
148	A	285	THR	0	-0.025	-0.010	31.642	0.013	0.013	0.000	0.000	0.000	0.000
149	A	286	LEU	0	-0.016	-0.004	28.051	0.012	0.012	0.000	0.000	0.000	0.000
150	A	287	LEU	0	0.026	0.021	31.923	0.015	0.015	0.000	0.000	0.000	0.000
151	A	288	THR	0	-0.004	-0.024	34.933	0.013	0.013	0.000	0.000	0.000	0.000
152	A	289	CYS	0	-0.066	-0.031	33.889	0.009	0.009	0.000	0.000	0.000	0.000
153	A	290	LEU	0	0.010	0.020	32.337	0.012	0.012	0.000	0.000	0.000	0.000
154	A	291	VAL	0	0.042	0.002	36.382	0.009	0.009	0.000	0.000	0.000	0.000
155	A	292	TYR	0	-0.025	-0.029	39.610	0.008	0.008	0.000	0.000	0.000	0.000
156	A	293	SER	0	-0.026	-0.021	37.610	0.006	0.006	0.000	0.000	0.000	0.000
157	A	294	ILE	0	-0.015	0.007	40.000	0.007	0.007	0.000	0.000	0.000	0.000
158	A	295	THR	0	0.000	-0.003	42.249	0.005	0.005	0.000	0.000	0.000	0.000
159	A	296	ASP	-1	-0.801	-0.876	41.483	-0.026	-0.026	0.000	0.000	0.000	0.000
160	A	297	ARG	1	0.825	0.901	43.883	0.023	0.023	0.000	0.000	0.000	0.000
161	A	298	THR	0	-0.091	-0.041	41.150	0.003	0.003	0.000	0.000	0.000	0.000
162	A	299	ILE	0	-0.080	-0.035	38.153	0.006	0.006	0.000	0.000	0.000	0.000
163	A	300	SER	0	-0.023	-0.040	39.934	0.001	0.001	0.000	0.000	0.000	0.000
164	A	301	GLY	0	0.012	-0.004	41.391	-0.003	-0.003	0.000	0.000	0.000	0.000
165	A	302	ALA	0	-0.003	-0.001	38.399	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	303	ALA	0	0.014	0.009	36.891	0.000	0.000	0.000	0.000	0.000	0.000
167	A	304	ARG	1	0.793	0.881	37.724	0.006	0.006	0.000	0.000	0.000	0.000
168	A	305	ASP	-1	-0.767	-0.862	39.975	0.011	0.011	0.000	0.000	0.000	0.000
169	A	306	GLY	0	-0.014	-0.008	35.830	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	307	VAL	0	0.015	0.000	35.150	-0.005	-0.005	0.000	0.000	0.000	0.000
171	A	308	ILE	0	0.032	0.016	36.580	-0.007	-0.007	0.000	0.000	0.000	0.000
172	A	309	GLU	-1	-0.772	-0.844	35.798	0.021	0.021	0.000	0.000	0.000	0.000
173	A	310	LEU	0	-0.024	-0.007	29.996	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	311	ILE	0	0.004	0.011	33.751	-0.009	-0.009	0.000	0.000	0.000	0.000
175	A	312	THR	0	0.005	-0.020	36.266	-0.006	-0.006	0.000	0.000	0.000	0.000
176	A	313	ARG	1	0.767	0.861	31.958	-0.012	-0.012	0.000	0.000	0.000	0.000
177	A	314	ASN	0	-0.049	-0.052	30.651	-0.013	-0.013	0.000	0.000	0.000	0.000
178	A	315	VAL	0	-0.025	-0.011	33.804	-0.010	-0.010	0.000	0.000	0.000	0.000
179	A	316	HIS	0	-0.006	0.007	34.094	-0.010	-0.010	0.000	0.000	0.000	0.000
180	A	317	TYR	0	-0.020	0.000	30.544	-0.008	-0.008	0.000	0.000	0.000	0.000
181	A	318	THR	0	0.048	0.016	34.336	-0.011	-0.011	0.000	0.000	0.000	0.000
182	A	319	ALA	0	-0.040	-0.018	31.966	-0.004	-0.004	0.000	0.000	0.000	0.000
183	A	320	LEU	0	-0.014	-0.020	29.828	-0.015	-0.015	0.000	0.000	0.000	0.000
184	A	321	GLU	-1	-0.955	-0.974	33.740	-0.124	-0.124	0.000	0.000	0.000	0.000
185	A	322	TRP	0	-0.001	-0.022	32.014	0.010	0.010	0.000	0.000	0.000	0.000
186	A	323	ALA	0	0.021	0.028	37.570	0.005	0.005	0.000	0.000	0.000	0.000
187	A	324	GLU	-1	-0.779	-0.864	40.910	-0.073	-0.073	0.000	0.000	0.000	0.000
188	A	325	ARG	1	0.797	0.853	38.228	0.119	0.119	0.000	0.000	0.000	0.000
189	A	326	LEU	0	-0.014	-0.006	39.910	0.002	0.002	0.000	0.000	0.000	0.000
190	A	327	VAL	0	0.008	0.005	41.828	0.004	0.004	0.000	0.000	0.000	0.000
191	A	328	GLU	-1	-0.821	-0.895	42.576	-0.100	-0.100	0.000	0.000	0.000	0.000
192	A	329	ILE	0	-0.055	-0.019	40.728	0.002	0.002	0.000	0.000	0.000	0.000
193	A	330	ARG	1	0.826	0.865	44.130	0.055	0.055	0.000	0.000	0.000	0.000
194	A	331	GLY	0	0.009	-0.010	43.741	0.004	0.004	0.000	0.000	0.000	0.000
195	A	332	LEU	0	0.004	0.005	44.672	0.005	0.005	0.000	0.000	0.000	0.000
196	A	333	CYS	0	-0.014	0.014	47.514	0.004	0.004	0.000	0.000	0.000	0.000
197	A	334	ARG	1	0.858	0.939	44.083	0.061	0.061	0.000	0.000	0.000	0.000
198	A	335	LEU	0	0.006	-0.001	42.821	0.004	0.004	0.000	0.000	0.000	0.000
199	A	336	LEU	0	0.044	0.022	46.769	0.005	0.005	0.000	0.000	0.000	0.000
200	A	337	ASP	-1	-0.818	-0.875	49.572	-0.025	-0.025	0.000	0.000	0.000	0.000
201	A	338	VAL	0	-0.024	-0.023	45.165	0.004	0.004	0.000	0.000	0.000	0.000
202	A	339	CYS	0	-0.096	-0.040	48.513	0.003	0.003	0.000	0.000	0.000	0.000
203	A	340	SER	0	-0.048	-0.029	50.630	0.003	0.003	0.000	0.000	0.000	0.000
204	A	341	GLU	-1	-0.802	-0.893	50.508	-0.009	-0.009	0.000	0.000	0.000	0.000
205	A	342	LEU	0	0.001	-0.003	52.786	0.003	0.003	0.000	0.000	0.000	0.000
206	A	343	GLU	-1	-0.878	-0.939	49.951	0.021	0.021	0.000	0.000	0.000	0.000
207	A	344	ASP	-1	-0.844	-0.895	53.450	0.016	0.016	0.000	0.000	0.000	0.000
208	A	345	TYR	0	-0.027	-0.026	56.984	0.001	0.001	0.000	0.000	0.000	0.000
209	A	346	LYS	1	0.887	0.938	52.682	-0.014	-0.014	0.000	0.000	0.000	0.000
210	A	347	TYR	0	0.034	0.023	56.576	0.001	0.001	0.000	0.000	0.000	0.000
211	A	348	GLU	-1	-0.923	-0.966	56.511	-0.008	-0.008	0.000	0.000	0.000	0.000
212	A	349	SER	0	-0.007	0.010	54.656	0.000	0.000	0.000	0.000	0.000	0.000
213	A	350	ALA	0	-0.006	0.018	52.591	-0.002	-0.002	0.000	0.000	0.000	0.000
214	A	351	MET	0	-0.056	-0.007	47.103	-0.004	-0.004	0.000	0.000	0.000	0.000
215	A	352	ASP	-1	-0.813	-0.901	44.881	0.018	0.018	0.000	0.000	0.000	0.000
216	A	353	ILE	0	-0.034	-0.022	45.669	-0.004	-0.004	0.000	0.000	0.000	0.000
217	A	354	THR	0	-0.002	-0.017	43.385	0.005	0.005	0.000	0.000	0.000	0.000
218	A	355	GLY	0	0.037	0.030	46.611	-0.003	-0.003	0.000	0.000	0.000	0.000
219	A	356	SER	0	-0.033	-0.027	43.890	0.000	0.000	0.000	0.000	0.000	0.000
220	A	357	SER	0	-0.006	-0.021	44.216	-0.003	-0.003	0.000	0.000	0.000	0.000
221	A	358	SER	0	0.019	0.018	45.547	-0.004	-0.004	0.000	0.000	0.000	0.000
222	A	359	THR	0	0.015	0.015	46.555	-0.003	-0.003	0.000	0.000	0.000	0.000
223	A	360	ILE	0	-0.014	-0.016	40.777	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	361	ALA	0	0.024	0.012	43.546	-0.004	-0.004	0.000	0.000	0.000	0.000
225	A	362	SER	0	0.016	-0.008	45.315	-0.005	-0.005	0.000	0.000	0.000	0.000
226	A	363	VAL	0	-0.030	-0.020	42.381	-0.003	-0.003	0.000	0.000	0.000	0.000
227	A	364	CYS	0	-0.053	-0.011	40.528	-0.006	-0.006	0.000	0.000	0.000	0.000
228	A	365	LEU	0	0.008	-0.008	43.084	-0.006	-0.006	0.000	0.000	0.000	0.000
229	A	366	ALA	0	-0.013	0.002	45.964	-0.003	-0.003	0.000	0.000	0.000	0.000
230	A	367	ARG	1	0.853	0.922	38.360	0.020	0.020	0.000	0.000	0.000	0.000
231	A	368	ILE	0	-0.006	-0.011	42.068	-0.006	-0.006	0.000	0.000	0.000	0.000
232	A	369	TYR	0	-0.056	-0.038	43.669	-0.005	-0.005	0.000	0.000	0.000	0.000
233	A	370	GLU	-1	-0.898	-0.946	42.913	-0.028	-0.028	0.000	0.000	0.000	0.000
234	A	371	ASN	0	-0.032	-0.019	40.565	-0.007	-0.007	0.000	0.000	0.000	0.000
235	A	372	MET	0	-0.060	0.003	43.446	-0.006	-0.006	0.000	0.000	0.000	0.000
236	A	373	TYR	0	-0.026	-0.035	40.073	0.000	0.000	0.000	0.000	0.000	0.000
237	A	374	TYR	0	0.000	-0.002	45.401	0.004	0.004	0.000	0.000	0.000	0.000
238	A	375	ASP	-1	-0.816	-0.920	49.436	-0.049	-0.049	0.000	0.000	0.000	0.000
239	A	376	GLU	-1	-0.897	-0.950	51.048	-0.069	-0.069	0.000	0.000	0.000	0.000
240	A	377	ALA	0	0.005	0.016	47.311	0.001	0.001	0.000	0.000	0.000	0.000
241	A	378	LYS	1	0.868	0.925	49.384	0.052	0.052	0.000	0.000	0.000	0.000
242	A	379	ALA	0	0.008	0.032	51.605	0.003	0.003	0.000	0.000	0.000	0.000
243	A	380	ARG	1	0.816	0.880	47.375	0.075	0.075	0.000	0.000	0.000	0.000
244	A	381	PHE	0	0.011	-0.006	46.827	0.001	0.001	0.000	0.000	0.000	0.000
245	A	382	THR	0	-0.055	-0.056	50.795	0.003	0.003	0.000	0.000	0.000	0.000
246	A	383	ASP	-1	-0.801	-0.897	54.388	-0.040	-0.040	0.000	0.000	0.000	0.000
247	A	384	GLN	0	-0.006	-0.001	48.592	0.002	0.002	0.000	0.000	0.000	0.000
248	A	385	ILE	0	-0.016	-0.006	50.571	0.002	0.002	0.000	0.000	0.000	0.000
249	A	386	ASP	-1	-0.780	-0.879	54.292	-0.031	-0.031	0.000	0.000	0.000	0.000
250	A	387	GLU	-1	-0.891	-0.909	55.392	-0.046	-0.046	0.000	0.000	0.000	0.000
251	A	388	TYR	0	-0.011	-0.045	52.566	0.002	0.002	0.000	0.000	0.000	0.000
252	A	389	ILE	0	-0.023	-0.018	56.089	0.002	0.002	0.000	0.000	0.000	0.000
253	A	390	LYS	1	0.837	0.905	58.881	0.036	0.036	0.000	0.000	0.000	0.000
254	A	391	ASP	-1	-0.920	-0.961	57.587	-0.031	-0.031	0.000	0.000	0.000	0.000
255	A	392	LYS	1	0.842	0.927	53.975	0.030	0.030	0.000	0.000	0.000	0.000
256	A	393	LEU	0	-0.016	-0.010	60.291	0.003	0.003	0.000	0.000	0.000	0.000
257	A	394	LEU	0	-0.038	-0.010	63.577	0.001	0.001	0.000	0.000	0.000	0.000
258	A	395	ALA	0	-0.039	-0.019	64.687	0.000	0.000	0.000	0.000	0.000	0.000
259	A	396	PRO	0	0.007	0.020	65.514	0.001	0.001	0.000	0.000	0.000	0.000
260	A	397	ASP	-1	-0.775	-0.873	63.975	-0.011	-0.011	0.000	0.000	0.000	0.000
261	A	398	MET	0	-0.030	-0.023	65.530	0.000	0.000	0.000	0.000	0.000	0.000
262	A	399	GLU	-1	-0.814	-0.895	58.305	-0.010	-0.010	0.000	0.000	0.000	0.000
263	A	400	SER	0	-0.031	-0.033	60.810	0.000	0.000	0.000	0.000	0.000	0.000
264	A	401	LYS	1	0.876	0.917	61.296	0.008	0.008	0.000	0.000	0.000	0.000
265	A	402	VAL	0	0.000	-0.003	60.355	0.000	0.000	0.000	0.000	0.000	0.000
266	A	403	ARG	1	0.805	0.873	53.968	0.012	0.012	0.000	0.000	0.000	0.000
267	A	404	VAL	0	0.026	0.026	57.590	0.000	0.000	0.000	0.000	0.000	0.000
268	A	405	THR	0	-0.018	-0.022	58.931	0.000	0.000	0.000	0.000	0.000	0.000
269	A	406	VAL	0	-0.026	0.001	54.873	0.001	0.001	0.000	0.000	0.000	0.000
270	A	407	ALA	0	0.023	0.014	54.361	0.001	0.001	0.000	0.000	0.000	0.000
271	A	408	ILE	0	0.022	0.001	54.871	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	409	THR	0	-0.027	-0.037	56.255	0.001	0.001	0.000	0.000	0.000	0.000
273	A	410	ALA	0	-0.014	-0.008	51.464	0.001	0.001	0.000	0.000	0.000	0.000
274	A	411	LEU	0	-0.012	-0.003	52.232	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	412	LEU	0	-0.063	-0.033	53.512	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	413	ASN	0	-0.051	-0.029	52.509	0.001	0.001	0.000	0.000	0.000	0.000
277	A	414	GLY	0	0.046	0.030	49.678	0.002	0.002	0.000	0.000	0.000	0.000
278	A	415	PRO	0	-0.033	0.009	49.267	0.000	0.000	0.000	0.000	0.000	0.000
279	A	416	LEU	0	0.022	0.006	51.033	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	417	ASP	-1	-0.851	-0.906	54.033	-0.025	-0.025	0.000	0.000	0.000	0.000
281	A	418	VAL	0	0.000	-0.003	52.221	0.000	0.000	0.000	0.000	0.000	0.000
282	A	419	GLY	0	0.031	0.016	55.305	0.000	0.000	0.000	0.000	0.000	0.000
283	A	420	ASN	0	-0.066	-0.063	57.019	0.002	0.002	0.000	0.000	0.000	0.000
284	A	421	GLN	0	-0.010	-0.011	56.390	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	422	VAL	0	0.024	0.007	57.557	0.000	0.000	0.000	0.000	0.000	0.000
286	A	423	VAL	0	-0.050	-0.026	60.507	0.001	0.001	0.000	0.000	0.000	0.000
287	A	424	ALA	0	-0.061	-0.025	62.952	0.001	0.001	0.000	0.000	0.000	0.000
288	A	425	ARG	1	0.763	0.878	58.672	0.034	0.034	0.000	0.000	0.000	0.000
289	A	426	GLU	-1	-0.823	-0.927	63.770	-0.020	-0.020	0.000	0.000	0.000	0.000
290	A	427	GLY	0	-0.023	0.011	67.029	0.000	0.000	0.000	0.000	0.000	0.000
291	A	428	ILE	0	-0.001	-0.018	62.250	0.002	0.002	0.000	0.000	0.000	0.000
292	A	429	LEU	0	0.024	0.025	66.606	0.002	0.002	0.000	0.000	0.000	0.000
293	A	430	GLN	0	0.053	0.013	67.742	0.002	0.002	0.000	0.000	0.000	0.000
294	A	431	MET	0	-0.017	0.006	64.552	0.001	0.001	0.000	0.000	0.000	0.000
295	A	432	ILE	0	0.052	0.024	63.439	0.001	0.001	0.000	0.000	0.000	0.000
296	A	433	LEU	0	-0.025	-0.011	67.450	0.002	0.002	0.000	0.000	0.000	0.000
297	A	434	ALA	0	0.001	-0.002	70.803	0.001	0.001	0.000	0.000	0.000	0.000
298	A	435	MET	0	-0.062	-0.012	64.346	0.000	0.000	0.000	0.000	0.000	0.000
299	A	436	ALA	0	0.002	0.001	68.610	0.001	0.001	0.000	0.000	0.000	0.000
300	A	437	THR	0	-0.079	-0.049	69.912	0.002	0.002	0.000	0.000	0.000	0.000
301	A	438	THR	0	-0.014	-0.009	71.106	0.000	0.000	0.000	0.000	0.000	0.000
302	A	439	ASP	-1	-0.901	-0.946	72.901	0.003	0.003	0.000	0.000	0.000	0.000
303	A	440	ASP	-1	-0.824	-0.882	68.711	0.000	0.000	0.000	0.000	0.000	0.000
304	A	441	GLU	-1	-0.796	-0.913	67.706	0.010	0.010	0.000	0.000	0.000	0.000
305	A	442	LEU	0	-0.010	0.015	61.942	0.001	0.001	0.000	0.000	0.000	0.000
306	A	443	GLN	0	0.045	-0.001	64.541	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	444	GLN	0	0.008	-0.003	66.204	0.001	0.001	0.000	0.000	0.000	0.000
308	A	445	ARG	1	0.815	0.884	57.574	-0.008	-0.008	0.000	0.000	0.000	0.000
309	A	446	VAL	0	0.019	0.006	60.154	0.000	0.000	0.000	0.000	0.000	0.000
310	A	447	ALA	0	0.036	0.029	62.092	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	448	CYS	0	-0.056	-0.037	64.145	0.000	0.000	0.000	0.000	0.000	0.000
312	A	449	GLU	-1	-0.826	-0.892	58.179	0.008	0.008	0.000	0.000	0.000	0.000
313	A	450	CYS	0	-0.007	0.009	59.986	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	451	LEU	0	0.020	0.007	61.330	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	452	ILE	0	-0.015	0.008	59.188	0.000	0.000	0.000	0.000	0.000	0.000
316	A	453	ALA	0	0.020	0.029	57.478	0.000	0.000	0.000	0.000	0.000	0.000
317	A	454	ALA	0	0.044	0.030	58.998	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	455	SER	0	-0.043	-0.038	61.649	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	456	SER	0	-0.035	-0.021	57.412	0.002	0.002	0.000	0.000	0.000	0.000
320	A	457	LYS	1	0.920	0.966	58.948	0.014	0.014	0.000	0.000	0.000	0.000
321	A	458	LYS	1	0.986	0.981	60.569	0.000	0.000	0.000	0.000	0.000	0.000
322	A	459	ASP	-1	-0.804	-0.889	63.915	-0.012	-0.012	0.000	0.000	0.000	0.000
323	A	460	LYS	1	0.917	0.952	63.383	0.012	0.012	0.000	0.000	0.000	0.000
324	A	461	ALA	0	0.053	0.024	64.710	0.000	0.000	0.000	0.000	0.000	0.000
325	A	462	LYS	1	0.919	0.953	66.487	0.003	0.003	0.000	0.000	0.000	0.000
326	A	463	ALA	0	0.013	0.015	69.033	0.000	0.000	0.000	0.000	0.000	0.000
327	A	464	LEU	0	-0.012	0.010	65.628	0.000	0.000	0.000	0.000	0.000	0.000
328	A	465	CYS	0	-0.042	-0.035	69.556	0.001	0.001	0.000	0.000	0.000	0.000
329	A	466	GLU	-1	-0.896	-0.946	71.865	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	467	GLN	0	-0.045	-0.017	73.401	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	468	GLY	0	0.045	0.016	70.492	0.000	0.000	0.000	0.000	0.000	0.000
332	A	469	VAL	0	0.006	0.011	71.119	0.001	0.001	0.000	0.000	0.000	0.000
333	A	470	ASP	-1	-0.777	-0.889	72.430	0.004	0.004	0.000	0.000	0.000	0.000
334	A	471	ILE	0	-0.015	0.001	71.671	0.001	0.001	0.000	0.000	0.000	0.000
335	A	472	LEU	0	0.016	0.013	67.110	0.001	0.001	0.000	0.000	0.000	0.000
336	A	473	LYS	1	0.821	0.894	70.948	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	474	ARG	1	0.890	0.962	74.171	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	475	LEU	0	0.035	0.022	69.003	0.001	0.001	0.000	0.000	0.000	0.000
339	A	476	TYR	0	-0.051	-0.026	69.510	0.001	0.001	0.000	0.000	0.000	0.000
340	A	477	HIS	0	-0.064	-0.045	71.516	0.002	0.002	0.000	0.000	0.000	0.000
341	A	478	SER	0	0.020	0.030	70.561	0.001	0.001	0.000	0.000	0.000	0.000
342	A	479	LYS	1	0.962	0.960	71.475	-0.015	-0.015	0.000	0.000	0.000	0.000
343	A	480	ASN	0	-0.025	-0.014	66.147	0.003	0.003	0.000	0.000	0.000	0.000
344	A	481	ASP	-1	-0.782	-0.890	64.826	0.022	0.022	0.000	0.000	0.000	0.000
345	A	482	GLY	0	0.019	0.015	62.857	0.000	0.000	0.000	0.000	0.000	0.000
346	A	483	ILE	0	0.009	0.028	63.538	0.000	0.000	0.000	0.000	0.000	0.000
347	A	484	ARG	1	0.822	0.909	66.246	-0.018	-0.018	0.000	0.000	0.000	0.000
348	A	485	VAL	0	-0.015	-0.008	61.814	0.000	0.000	0.000	0.000	0.000	0.000
349	A	486	ARG	1	0.791	0.875	58.303	-0.014	-0.014	0.000	0.000	0.000	0.000
350	A	487	ALA	0	0.030	0.016	63.611	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	488	LEU	0	-0.037	-0.020	65.423	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	489	VAL	0	0.033	0.017	59.996	0.000	0.000	0.000	0.000	0.000	0.000
353	A	490	GLY	0	0.021	0.011	63.324	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	491	LEU	0	-0.037	-0.021	65.096	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	492	CYS	0	-0.058	-0.027	63.972	0.000	0.000	0.000	0.000	0.000	0.000
356	A	493	LYS	1	0.856	0.923	58.239	-0.003	-0.003	0.000	0.000	0.000	0.000
357	A	494	LEU	0	-0.017	-0.006	63.485	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	495	GLY	0	-0.011	-0.004	66.642	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	496	SER	0	-0.044	-0.029	63.437	0.000	0.000	0.000	0.000	0.000	0.000
360	A	497	TYR	0	-0.093	-0.057	61.836	0.000	0.000	0.000	0.000	0.000	0.000
361	A	498	GLY	0	0.080	0.003	66.005	0.000	0.000	0.000	0.000	0.000	0.000
362	A	499	GLY	0	-0.031	0.021	66.420	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	500	GLN	0	-0.075	-0.057	61.834	0.000	0.000	0.000	0.000	0.000	0.000
364	A	501	ASP	-1	-0.934	-0.961	67.154	0.001	0.001	0.000	0.000	0.000	0.000
365	A	502	ALA	0	0.055	0.038	69.643	0.000	0.000	0.000	0.000	0.000	0.000
366	A	503	ALA	0	-0.011	0.001	70.077	0.001	0.001	0.000	0.000	0.000	0.000
367	A	504	ILE	0	-0.052	-0.029	70.729	0.001	0.001	0.000	0.000	0.000	0.000
368	A	505	ARG	1	0.880	0.933	63.836	-0.017	-0.017	0.000	0.000	0.000	0.000
369	A	506	PRO	0	0.026	0.019	66.280	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	507	PHE	0	-0.051	-0.029	65.271	0.001	0.001	0.000	0.000	0.000	0.000
371	A	508	GLY	0	0.077	0.045	70.893	0.001	0.001	0.000	0.000	0.000	0.000
372	A	509	ASP	-1	-0.899	-0.954	73.849	0.013	0.013	0.000	0.000	0.000	0.000
373	A	510	GLY	0	0.029	0.024	74.012	0.000	0.000	0.000	0.000	0.000	0.000
374	A	511	ALA	0	-0.061	-0.038	72.786	0.001	0.001	0.000	0.000	0.000	0.000
375	A	512	ALA	0	0.060	0.022	68.227	0.000	0.000	0.000	0.000	0.000	0.000
376	A	513	LEU	0	0.079	0.029	68.218	0.001	0.001	0.000	0.000	0.000	0.000
377	A	514	LYS	1	0.901	0.967	69.713	-0.017	-0.017	0.000	0.000	0.000	0.000
378	A	515	LEU	0	-0.009	-0.013	67.695	0.000	0.000	0.000	0.000	0.000	0.000
379	A	516	ALA	0	0.072	0.045	65.309	0.001	0.001	0.000	0.000	0.000	0.000
380	A	517	GLU	-1	-0.750	-0.832	65.466	0.031	0.031	0.000	0.000	0.000	0.000
381	A	518	ALA	0	-0.075	-0.037	67.368	0.001	0.001	0.000	0.000	0.000	0.000
382	A	519	CYS	0	-0.030	-0.012	62.442	0.000	0.000	0.000	0.000	0.000	0.000
383	A	520	ARG	1	0.850	0.888	62.705	-0.032	-0.032	0.000	0.000	0.000	0.000
384	A	521	ARG	1	0.824	0.886	63.260	-0.025	-0.025	0.000	0.000	0.000	0.000
385	A	522	PHE	0	-0.061	-0.033	62.375	0.001	0.001	0.000	0.000	0.000	0.000
386	A	523	LEU	0	-0.004	0.010	56.687	0.000	0.000	0.000	0.000	0.000	0.000
387	A	524	ILE	0	0.027	0.025	59.063	0.002	0.002	0.000	0.000	0.000	0.000
388	A	525	LYS	1	0.798	0.894	61.103	-0.023	-0.023	0.000	0.000	0.000	0.000
389	A	526	PRO	0	0.085	0.038	60.579	0.000	0.000	0.000	0.000	0.000	0.000
390	A	527	GLY	0	-0.036	-0.001	61.523	0.000	0.000	0.000	0.000	0.000	0.000
391	A	528	LYS	1	0.834	0.893	61.699	-0.028	-0.028	0.000	0.000	0.000	0.000
392	A	529	ASP	-1	-0.766	-0.851	56.511	0.041	0.041	0.000	0.000	0.000	0.000
393	A	530	LYS	1	0.805	0.895	56.332	-0.021	-0.021	0.000	0.000	0.000	0.000
394	A	531	ASP	-1	-0.699	-0.847	55.004	0.020	0.020	0.000	0.000	0.000	0.000
395	A	532	ILE	0	-0.027	-0.010	55.929	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	533	ARG	1	0.834	0.891	55.551	-0.041	-0.041	0.000	0.000	0.000	0.000
397	A	534	ARG	1	0.823	0.878	52.835	-0.017	-0.017	0.000	0.000	0.000	0.000
398	A	535	TRP	0	-0.011	-0.017	55.382	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	536	ALA	0	-0.003	-0.002	58.643	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	537	ALA	0	0.049	0.027	55.160	0.000	0.000	0.000	0.000	0.000	0.000
401	A	538	ASP	-1	-0.795	-0.891	55.220	0.017	0.017	0.000	0.000	0.000	0.000
402	A	539	GLY	0	-0.011	0.002	57.679	-0.002	-0.002	0.000	0.000	0.000	0.000
403	A	540	LEU	0	0.012	-0.004	58.816	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	541	ALA	0	-0.018	0.025	56.162	0.000	0.000	0.000	0.000	0.000	0.000
405	A	542	TYR	0	-0.026	-0.015	57.945	-0.002	-0.002	0.000	0.000	0.000	0.000
406	A	543	LEU	0	0.002	-0.012	61.213	0.000	0.000	0.000	0.000	0.000	0.000
407	A	544	THR	0	-0.037	-0.043	59.038	0.001	0.001	0.000	0.000	0.000	0.000
408	A	545	LEU	0	0.025	0.015	59.787	0.001	0.001	0.000	0.000	0.000	0.000
409	A	546	ASP	-1	-0.825	-0.904	62.277	0.022	0.022	0.000	0.000	0.000	0.000
410	A	547	ALA	0	0.006	0.009	64.333	0.002	0.002	0.000	0.000	0.000	0.000
411	A	548	GLU	-1	-0.892	-0.954	65.552	0.026	0.026	0.000	0.000	0.000	0.000
412	A	549	CYS	0	-0.111	-0.068	64.229	0.001	0.001	0.000	0.000	0.000	0.000
413	A	550	LYS	1	0.842	0.923	59.146	-0.027	-0.027	0.000	0.000	0.000	0.000
414	A	551	GLU	-1	-0.776	-0.868	61.769	0.039	0.039	0.000	0.000	0.000	0.000
415	A	552	LYS	1	0.784	0.858	63.960	-0.032	-0.032	0.000	0.000	0.000	0.000
416	A	553	LEU	0	-0.025	-0.008	58.302	0.001	0.001	0.000	0.000	0.000	0.000
417	A	554	ILE	0	-0.021	0.001	56.648	0.002	0.002	0.000	0.000	0.000	0.000
418	A	555	GLU	-1	-0.832	-0.883	60.187	0.040	0.040	0.000	0.000	0.000	0.000
419	A	556	ASP	-1	-0.792	-0.861	62.113	0.043	0.043	0.000	0.000	0.000	0.000
420	A	557	LYS	1	0.932	0.944	57.849	-0.052	-0.052	0.000	0.000	0.000	0.000
421	A	558	ALA	0	0.004	0.018	57.466	0.002	0.002	0.000	0.000	0.000	0.000
422	A	559	SER	0	-0.020	-0.044	57.880	0.000	0.000	0.000	0.000	0.000	0.000
423	A	560	ILE	0	-0.005	-0.001	54.153	0.000	0.000	0.000	0.000	0.000	0.000
424	A	561	HIS	0	0.002	-0.004	52.217	0.001	0.001	0.000	0.000	0.000	0.000
425	A	562	ALA	0	-0.017	0.002	52.922	0.001	0.001	0.000	0.000	0.000	0.000
426	A	563	LEU	0	-0.024	-0.019	53.452	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	564	MET	0	-0.033	-0.002	49.414	0.000	0.000	0.000	0.000	0.000	0.000
428	A	565	ASP	-1	-0.846	-0.927	48.595	0.069	0.069	0.000	0.000	0.000	0.000
429	A	566	LEU	0	-0.077	-0.035	48.809	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	567	ALA	0	-0.026	-0.014	46.693	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	568	ARG	1	0.826	0.901	44.250	-0.075	-0.075	0.000	0.000	0.000	0.000
432	A	569	GLY	0	0.016	0.024	44.013	0.004	0.004	0.000	0.000	0.000	0.000
433	A	570	GLY	0	-0.014	-0.009	42.874	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	571	ASN	0	-0.008	0.005	43.760	-0.007	-0.007	0.000	0.000	0.000	0.000
435	A	572	GLN	0	0.041	0.004	42.564	-0.005	-0.005	0.000	0.000	0.000	0.000
436	A	573	SER	0	0.001	0.005	45.999	-0.002	-0.002	0.000	0.000	0.000	0.000
437	A	574	CYS	0	-0.086	-0.040	48.451	-0.001	-0.001	0.000	0.000	0.000	0.000
438	A	575	LEU	0	0.022	0.019	44.778	0.001	0.001	0.000	0.000	0.000	0.000
439	A	576	TYR	0	0.029	0.020	48.701	0.001	0.001	0.000	0.000	0.000	0.000
440	A	577	GLY	0	0.088	0.045	51.513	0.001	0.001	0.000	0.000	0.000	0.000
441	A	578	VAL	0	-0.008	0.007	50.482	0.001	0.001	0.000	0.000	0.000	0.000
442	A	579	VAL	0	0.018	0.015	47.097	0.002	0.002	0.000	0.000	0.000	0.000
443	A	580	THR	0	0.000	-0.008	50.427	0.000	0.000	0.000	0.000	0.000	0.000
444	A	581	THR	0	-0.029	-0.016	53.298	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	582	PHE	0	0.037	-0.003	49.481	0.001	0.001	0.000	0.000	0.000	0.000
446	A	583	VAL	0	0.021	0.010	50.423	0.001	0.001	0.000	0.000	0.000	0.000
447	A	584	ASN	0	-0.055	-0.033	52.841	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	585	LEU	0	-0.015	0.010	55.505	0.000	0.000	0.000	0.000	0.000	0.000
449	A	586	CYS	0	-0.048	-0.026	52.391	0.002	0.002	0.000	0.000	0.000	0.000
450	A	587	ASN	0	-0.029	-0.021	54.513	0.001	0.001	0.000	0.000	0.000	0.000
451	A	588	ALA	0	0.038	0.029	50.850	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	589	TYR	0	0.006	0.010	51.969	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	590	GLU	-1	-0.771	-0.862	51.566	0.017	0.017	0.000	0.000	0.000	0.000
454	A	591	LYS	1	0.829	0.911	54.469	-0.025	-0.025	0.000	0.000	0.000	0.000
455	A	592	GLN	0	0.015	-0.008	56.977	-0.002	-0.002	0.000	0.000	0.000	0.000
456	A	593	GLU	-1	-0.833	-0.897	52.961	0.006	0.006	0.000	0.000	0.000	0.000
457	A	594	MET	0	-0.052	-0.031	57.604	-0.003	-0.003	0.000	0.000	0.000	0.000
458	A	595	LEU	0	-0.015	0.003	56.472	0.001	0.001	0.000	0.000	0.000	0.000
459	A	596	PRO	0	-0.013	0.002	56.810	0.000	0.000	0.000	0.000	0.000	0.000
460	A	597	GLU	-1	-0.888	-0.961	58.759	-0.003	-0.003	0.000	0.000	0.000	0.000
461	A	598	MET	0	-0.049	-0.028	58.677	0.001	0.001	0.000	0.000	0.000	0.000
462	A	599	ILE	0	0.046	0.034	52.795	0.002	0.002	0.000	0.000	0.000	0.000
463	A	600	GLU	-1	-0.876	-0.948	53.589	-0.006	-0.006	0.000	0.000	0.000	0.000
464	A	601	LEU	0	-0.019	-0.005	54.840	0.001	0.001	0.000	0.000	0.000	0.000
465	A	602	ALA	0	-0.023	-0.007	54.621	0.002	0.002	0.000	0.000	0.000	0.000
466	A	603	LYS	1	0.810	0.914	48.818	-0.010	-0.010	0.000	0.000	0.000	0.000
467	A	604	PHE	0	0.082	0.049	54.235	0.003	0.003	0.000	0.000	0.000	0.000
468	A	605	ALA	0	0.041	0.020	56.200	0.000	0.000	0.000	0.000	0.000	0.000
469	A	606	LYS	1	0.750	0.889	56.362	-0.013	-0.013	0.000	0.000	0.000	0.000
470	A	607	GLN	0	0.046	0.005	56.545	0.004	0.004	0.000	0.000	0.000	0.000
471	A	608	HIS	0	-0.057	-0.030	56.865	0.001	0.001	0.000	0.000	0.000	0.000
472	A	609	ILE	0	-0.030	-0.021	50.901	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	610	PRO	0	-0.028	-0.014	55.127	0.002	0.002	0.000	0.000	0.000	0.000
474	A	611	GLU	-1	-0.839	-0.909	55.493	0.040	0.040	0.000	0.000	0.000	0.000
475	A	612	GLU	-1	-0.845	-0.914	50.708	0.039	0.039	0.000	0.000	0.000	0.000
476	A	613	HIS	0	-0.047	-0.026	54.558	-0.004	-0.004	0.000	0.000	0.000	0.000
477	A	614	GLU	-1	-0.824	-0.911	58.667	0.025	0.025	0.000	0.000	0.000	0.000
478	A	615	LEU	0	0.006	-0.019	61.517	0.001	0.001	0.000	0.000	0.000	0.000
479	A	616	ASP	-1	-0.925	-0.947	63.363	0.030	0.030	0.000	0.000	0.000	0.000
480	A	617	ASP	-1	-0.768	-0.899	61.941	0.033	0.033	0.000	0.000	0.000	0.000
481	A	618	VAL	0	-0.017	0.009	57.914	0.002	0.002	0.000	0.000	0.000	0.000
482	A	619	ASP	-1	-0.775	-0.877	58.922	0.050	0.050	0.000	0.000	0.000	0.000
483	A	620	PHE	0	-0.028	-0.005	60.387	0.002	0.002	0.000	0.000	0.000	0.000
484	A	621	ILE	0	-0.016	0.002	55.770	0.002	0.002	0.000	0.000	0.000	0.000
485	A	622	ASN	0	0.033	0.009	55.220	0.002	0.002	0.000	0.000	0.000	0.000
486	A	623	LYS	1	0.803	0.896	55.263	-0.045	-0.045	0.000	0.000	0.000	0.000
487	A	624	ARG	1	0.766	0.863	56.598	-0.034	-0.034	0.000	0.000	0.000	0.000
488	A	625	ILE	0	0.025	0.013	50.813	0.002	0.002	0.000	0.000	0.000	0.000
489	A	626	THR	0	-0.005	-0.016	51.800	0.005	0.005	0.000	0.000	0.000	0.000
490	A	627	VAL	0	-0.070	-0.040	52.358	0.004	0.004	0.000	0.000	0.000	0.000
491	A	628	LEU	0	-0.010	0.000	51.353	0.002	0.002	0.000	0.000	0.000	0.000
492	A	629	ALA	0	0.032	0.008	47.955	0.003	0.003	0.000	0.000	0.000	0.000
493	A	630	ASN	0	-0.025	-0.025	47.939	0.010	0.010	0.000	0.000	0.000	0.000
494	A	631	GLU	-1	-0.878	-0.927	49.368	0.072	0.072	0.000	0.000	0.000	0.000
495	A	632	GLY	0	-0.011	0.004	46.153	0.000	0.000	0.000	0.000	0.000	0.000
496	A	633	ILE	0	0.055	0.018	45.946	0.000	0.000	0.000	0.000	0.000	0.000
497	A	634	THR	0	-0.039	-0.023	40.715	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	635	THR	0	-0.008	-0.033	39.825	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	636	ALA	0	-0.024	-0.001	41.700	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	637	LEU	0	0.017	0.003	43.507	-0.005	-0.005	0.000	0.000	0.000	0.000
501	A	638	CYS	0	-0.066	-0.044	38.001	-0.003	-0.003	0.000	0.000	0.000	0.000
502	A	639	ALA	0	-0.014	0.008	39.013	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	640	LEU	0	-0.024	-0.001	40.794	-0.005	-0.005	0.000	0.000	0.000	0.000
504	A	641	ALA	0	-0.018	-0.012	38.816	-0.007	-0.007	0.000	0.000	0.000	0.000
505	A	642	LYS	1	0.848	0.908	37.035	-0.038	-0.038	0.000	0.000	0.000	0.000
506	A	643	THR	0	0.010	0.023	37.901	-0.008	-0.008	0.000	0.000	0.000	0.000
507	A	644	GLU	-1	-0.760	-0.869	35.840	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	645	SER	0	-0.003	0.021	39.585	-0.005	-0.005	0.000	0.000	0.000	0.000
509	A	646	HIS	0	0.060	0.019	38.447	0.010	0.010	0.000	0.000	0.000	0.000
510	A	647	ASN	0	0.028	0.006	42.736	0.003	0.003	0.000	0.000	0.000	0.000
511	A	648	SER	0	0.004	-0.009	44.464	0.003	0.003	0.000	0.000	0.000	0.000
512	A	649	GLN	0	-0.016	-0.018	38.341	0.005	0.005	0.000	0.000	0.000	0.000
513	A	650	GLU	-1	-0.760	-0.834	42.772	0.015	0.015	0.000	0.000	0.000	0.000
514	A	651	LEU	0	-0.031	-0.009	45.298	0.003	0.003	0.000	0.000	0.000	0.000
515	A	652	ILE	0	0.022	-0.004	42.234	0.004	0.004	0.000	0.000	0.000	0.000
516	A	653	ALA	0	0.000	-0.001	42.296	0.005	0.005	0.000	0.000	0.000	0.000
517	A	654	ARG	1	0.765	0.859	43.843	-0.017	-0.017	0.000	0.000	0.000	0.000
518	A	655	VAL	0	-0.008	0.003	47.230	0.002	0.002	0.000	0.000	0.000	0.000
519	A	656	LEU	0	-0.010	-0.012	41.015	0.004	0.004	0.000	0.000	0.000	0.000
520	A	657	ASN	0	-0.003	-0.019	44.853	0.009	0.009	0.000	0.000	0.000	0.000
521	A	658	ALA	0	0.025	0.013	45.826	0.002	0.002	0.000	0.000	0.000	0.000
522	A	659	VAL	0	-0.028	-0.028	46.123	0.002	0.002	0.000	0.000	0.000	0.000
523	A	660	CYS	0	-0.070	-0.026	43.066	0.006	0.006	0.000	0.000	0.000	0.000
524	A	661	GLY	0	0.070	0.047	45.562	0.003	0.003	0.000	0.000	0.000	0.000
525	A	662	LEU	0	-0.031	-0.003	48.650	0.001	0.001	0.000	0.000	0.000	0.000
526	A	663	LYS	1	0.961	0.977	46.665	-0.069	-0.069	0.000	0.000	0.000	0.000
527	A	664	GLU	-1	-0.873	-0.956	46.081	0.081	0.081	0.000	0.000	0.000	0.000
528	A	665	LEU	0	-0.024	-0.007	46.934	0.005	0.005	0.000	0.000	0.000	0.000
529	A	666	ARG	1	0.865	0.929	42.436	-0.076	-0.076	0.000	0.000	0.000	0.000
530	A	667	GLY	0	0.036	0.013	41.124	0.006	0.006	0.000	0.000	0.000	0.000
531	A	668	LYS	1	0.867	0.945	40.780	-0.087	-0.087	0.000	0.000	0.000	0.000
532	A	669	VAL	0	0.034	0.018	40.140	0.004	0.004	0.000	0.000	0.000	0.000
533	A	670	VAL	0	-0.018	-0.017	35.632	0.003	0.003	0.000	0.000	0.000	0.000
534	A	671	GLN	0	-0.044	-0.011	36.643	0.006	0.006	0.000	0.000	0.000	0.000
535	A	672	GLU	-1	-0.827	-0.897	37.648	0.100	0.100	0.000	0.000	0.000	0.000
536	A	673	GLY	0	0.003	0.013	35.259	-0.003	-0.003	0.000	0.000	0.000	0.000
537	A	674	GLY	0	0.029	0.001	35.568	-0.003	-0.003	0.000	0.000	0.000	0.000
538	A	675	VAL	0	-0.006	-0.002	32.972	-0.008	-0.008	0.000	0.000	0.000	0.000
539	A	676	LYS	1	0.936	0.972	29.335	-0.148	-0.148	0.000	0.000	0.000	0.000
540	A	677	ALA	0	0.007	0.004	33.196	-0.008	-0.008	0.000	0.000	0.000	0.000
541	A	678	LEU	0	0.023	0.006	36.068	-0.009	-0.009	0.000	0.000	0.000	0.000
542	A	679	LEU	0	0.017	0.003	29.765	-0.007	-0.007	0.000	0.000	0.000	0.000
543	A	680	ARG	1	0.824	0.904	33.040	-0.036	-0.036	0.000	0.000	0.000	0.000
544	A	681	MET	0	-0.022	-0.008	34.022	-0.011	-0.011	0.000	0.000	0.000	0.000
545	A	682	ALA	0	0.006	0.014	35.736	-0.006	-0.006	0.000	0.000	0.000	0.000
546	A	683	LEU	0	-0.082	-0.040	30.702	-0.006	-0.006	0.000	0.000	0.000	0.000
547	A	684	GLU	-1	-0.860	-0.919	34.596	-0.035	-0.035	0.000	0.000	0.000	0.000
548	A	685	GLY	0	0.018	-0.005	36.505	0.009	0.009	0.000	0.000	0.000	0.000
549	A	686	THR	0	0.008	-0.029	40.325	-0.006	-0.006	0.000	0.000	0.000	0.000
550	A	687	GLU	-1	-0.821	-0.901	41.841	-0.011	-0.011	0.000	0.000	0.000	0.000
551	A	688	LYS	1	0.805	0.888	43.866	-0.003	-0.003	0.000	0.000	0.000	0.000
552	A	689	GLY	0	0.020	0.009	43.737	0.005	0.005	0.000	0.000	0.000	0.000
553	A	690	LYS	1	0.832	0.916	38.014	0.017	0.017	0.000	0.000	0.000	0.000
554	A	691	ARG	1	0.835	0.921	40.922	-0.006	-0.006	0.000	0.000	0.000	0.000
555	A	692	HIS	0	0.063	0.037	43.287	0.009	0.009	0.000	0.000	0.000	0.000
556	A	693	ALA	0	-0.011	-0.007	39.344	0.006	0.006	0.000	0.000	0.000	0.000
557	A	694	THR	0	-0.010	-0.040	37.974	0.009	0.009	0.000	0.000	0.000	0.000
558	A	695	GLN	0	-0.017	0.013	39.800	0.004	0.004	0.000	0.000	0.000	0.000
559	A	696	ALA	0	0.024	0.004	41.278	0.006	0.006	0.000	0.000	0.000	0.000
560	A	697	LEU	0	-0.082	-0.036	35.209	0.009	0.009	0.000	0.000	0.000	0.000
561	A	698	ALA	0	0.023	0.006	38.448	0.009	0.009	0.000	0.000	0.000	0.000
562	A	699	ARG	1	0.760	0.851	40.140	-0.044	-0.044	0.000	0.000	0.000	0.000
563	A	700	ILE	0	-0.038	-0.029	37.414	0.006	0.006	0.000	0.000	0.000	0.000
564	A	701	GLY	0	0.005	0.008	37.448	0.007	0.007	0.000	0.000	0.000	0.000
565	A	702	ILE	0	-0.001	0.020	38.205	0.005	0.005	0.000	0.000	0.000	0.000
566	A	703	THR	0	-0.089	-0.038	41.039	-0.002	-0.002	0.000	0.000	0.000	0.000
567	A	704	ILE	0	0.005	0.015	36.676	0.006	0.006	0.000	0.000	0.000	0.000
568	A	705	ASN	0	0.010	0.013	35.099	-0.009	-0.009	0.000	0.000	0.000	0.000
569	A	706	PRO	0	0.079	0.046	33.003	0.011	0.011	0.000	0.000	0.000	0.000
570	A	707	GLU	-1	-0.807	-0.908	29.969	0.192	0.192	0.000	0.000	0.000	0.000
571	A	708	VAL	0	-0.059	-0.020	29.838	0.025	0.025	0.000	0.000	0.000	0.000
572	A	709	SER	0	-0.031	-0.045	31.666	0.005	0.005	0.000	0.000	0.000	0.000
573	A	710	PHE	0	0.012	-0.016	30.772	-0.008	-0.008	0.000	0.000	0.000	0.000
574	A	711	SER	0	0.006	0.025	26.579	0.001	0.001	0.000	0.000	0.000	0.000
575	A	712	GLY	0	-0.009	-0.009	23.837	0.004	0.004	0.000	0.000	0.000	0.000
576	A	713	GLN	0	-0.004	-0.025	22.167	0.001	0.001	0.000	0.000	0.000	0.000
577	A	714	ARG	1	0.846	0.920	24.352	-0.221	-0.221	0.000	0.000	0.000	0.000
578	A	715	SER	0	0.010	0.003	26.864	-0.020	-0.020	0.000	0.000	0.000	0.000
579	A	716	LEU	0	-0.033	-0.014	23.154	-0.015	-0.015	0.000	0.000	0.000	0.000
580	A	717	ASP	-1	-0.818	-0.909	25.946	0.042	0.042	0.000	0.000	0.000	0.000
581	A	718	VAL	0	0.006	0.008	28.660	-0.013	-0.013	0.000	0.000	0.000	0.000
582	A	719	ILE	0	-0.002	0.003	30.425	-0.007	-0.007	0.000	0.000	0.000	0.000
583	A	720	ARG	1	0.823	0.902	30.999	0.032	0.032	0.000	0.000	0.000	0.000
584	A	721	PRO	0	0.017	0.006	33.283	-0.005	-0.005	0.000	0.000	0.000	0.000
585	A	722	LEU	0	0.021	0.013	34.888	-0.003	-0.003	0.000	0.000	0.000	0.000
586	A	723	LEU	0	-0.012	0.005	34.112	-0.003	-0.003	0.000	0.000	0.000	0.000
587	A	724	ASN	0	-0.046	-0.020	37.791	-0.007	-0.007	0.000	0.000	0.000	0.000
588	A	725	LEU	0	-0.002	-0.006	40.080	-0.002	-0.002	0.000	0.000	0.000	0.000
589	A	726	LEU	0	-0.013	0.013	39.808	0.002	0.002	0.000	0.000	0.000	0.000
590	A	727	GLN	0	-0.023	-0.007	43.048	-0.003	-0.003	0.000	0.000	0.000	0.000
591	A	728	GLN	0	0.008	-0.028	45.112	0.002	0.002	0.000	0.000	0.000	0.000
592	A	729	ASP	-1	-0.834	-0.898	47.608	0.000	0.000	0.000	0.000	0.000	0.000
593	A	730	CYS	0	-0.108	-0.027	45.668	0.001	0.001	0.000	0.000	0.000	0.000
594	A	731	THR	0	0.000	-0.038	48.198	0.001	0.001	0.000	0.000	0.000	0.000
595	A	732	ALA	0	0.060	0.016	49.089	0.001	0.001	0.000	0.000	0.000	0.000
596	A	733	LEU	0	0.014	0.019	49.034	0.003	0.003	0.000	0.000	0.000	0.000
597	A	734	GLU	-1	-0.713	-0.814	45.705	0.024	0.024	0.000	0.000	0.000	0.000
598	A	735	ASN	0	-0.021	-0.006	44.618	0.002	0.002	0.000	0.000	0.000	0.000
599	A	736	PHE	0	0.056	0.019	44.587	0.003	0.003	0.000	0.000	0.000	0.000
600	A	737	GLU	-1	-0.788	-0.890	44.052	0.056	0.056	0.000	0.000	0.000	0.000
601	A	738	SER	0	-0.004	-0.023	40.192	0.008	0.008	0.000	0.000	0.000	0.000
602	A	739	LEU	0	0.013	0.006	40.117	0.005	0.005	0.000	0.000	0.000	0.000
603	A	740	MET	0	0.003	0.027	40.910	0.006	0.006	0.000	0.000	0.000	0.000
604	A	741	ALA	0	-0.015	-0.001	38.101	0.008	0.008	0.000	0.000	0.000	0.000
605	A	742	LEU	0	-0.014	-0.022	35.268	0.010	0.010	0.000	0.000	0.000	0.000
606	A	743	THR	0	0.001	-0.017	36.179	0.004	0.004	0.000	0.000	0.000	0.000
607	A	744	ASN	0	-0.005	0.002	36.956	0.007	0.007	0.000	0.000	0.000	0.000
608	A	745	LEU	0	-0.045	-0.016	31.707	0.014	0.014	0.000	0.000	0.000	0.000
609	A	746	ALA	0	-0.002	-0.003	31.952	0.012	0.012	0.000	0.000	0.000	0.000
610	A	747	SER	0	-0.029	-0.023	32.686	0.007	0.007	0.000	0.000	0.000	0.000
611	A	748	MET	0	-0.052	0.008	29.096	0.017	0.017	0.000	0.000	0.000	0.000
612	A	749	ASN	0	0.001	-0.021	25.742	0.008	0.008	0.000	0.000	0.000	0.000
613	A	750	GLU	-1	-0.707	-0.824	25.278	0.075	0.075	0.000	0.000	0.000	0.000
614	A	751	SER	0	-0.046	-0.014	22.261	-0.036	-0.036	0.000	0.000	0.000	0.000
615	A	752	VAL	0	0.026	0.002	24.803	-0.024	-0.024	0.000	0.000	0.000	0.000
616	A	753	ARG	1	0.882	0.951	28.080	-0.141	-0.141	0.000	0.000	0.000	0.000
617	A	754	GLN	0	0.018	0.000	24.551	-0.035	-0.035	0.000	0.000	0.000	0.000
618	A	755	ARG	1	0.753	0.864	25.148	-0.057	-0.057	0.000	0.000	0.000	0.000
619	A	756	ILE	0	0.043	0.017	27.947	-0.017	-0.017	0.000	0.000	0.000	0.000
620	A	757	ILE	0	-0.005	0.004	30.040	-0.011	-0.011	0.000	0.000	0.000	0.000
621	A	758	LYS	1	0.875	0.942	24.361	0.019	0.019	0.000	0.000	0.000	0.000
622	A	759	GLU	-1	-0.853	-0.898	29.628	-0.024	-0.024	0.000	0.000	0.000	0.000
623	A	760	GLN	0	-0.041	-0.039	32.188	0.004	0.004	0.000	0.000	0.000	0.000
624	A	761	GLY	0	0.033	0.004	34.526	0.001	0.001	0.000	0.000	0.000	0.000
625	A	762	VAL	0	-0.009	-0.006	35.077	0.003	0.003	0.000	0.000	0.000	0.000
626	A	763	SER	0	0.060	0.030	37.765	0.004	0.004	0.000	0.000	0.000	0.000
627	A	764	LYS	1	0.858	0.933	36.164	0.012	0.012	0.000	0.000	0.000	0.000
628	A	765	ILE	0	0.008	0.008	37.790	0.003	0.003	0.000	0.000	0.000	0.000
629	A	766	GLU	-1	-0.811	-0.912	41.419	0.005	0.005	0.000	0.000	0.000	0.000
630	A	767	TYR	0	-0.059	-0.034	43.820	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	768	TYR	0	-0.014	-0.048	44.783	0.000	0.000	0.000	0.000	0.000	0.000
632	A	769	LEU	0	-0.033	-0.015	44.369	0.003	0.003	0.000	0.000	0.000	0.000
633	A	770	MET	0	-0.050	-0.011	48.287	0.000	0.000	0.000	0.000	0.000	0.000
634	A	771	GLU	-1	-0.858	-0.920	50.350	0.009	0.009	0.000	0.000	0.000	0.000
635	A	772	ASP	-1	-0.925	-0.940	52.259	0.024	0.024	0.000	0.000	0.000	0.000
636	A	773	HIS	0	0.010	0.001	52.244	0.002	0.002	0.000	0.000	0.000	0.000
637	A	774	LEU	0	0.034	0.018	52.296	0.002	0.002	0.000	0.000	0.000	0.000
638	A	775	TYR	0	-0.049	-0.017	50.576	0.005	0.005	0.000	0.000	0.000	0.000
639	A	776	LEU	0	-0.046	-0.029	47.846	0.003	0.003	0.000	0.000	0.000	0.000
640	A	777	THR	0	0.063	0.035	47.386	0.002	0.002	0.000	0.000	0.000	0.000
641	A	778	ARG	1	0.804	0.888	47.769	-0.051	-0.051	0.000	0.000	0.000	0.000
642	A	779	ALA	0	0.019	-0.002	44.516	0.004	0.004	0.000	0.000	0.000	0.000
643	A	780	ALA	0	-0.015	-0.005	43.279	0.003	0.003	0.000	0.000	0.000	0.000
644	A	781	ALA	0	0.029	0.021	42.886	0.001	0.001	0.000	0.000	0.000	0.000
645	A	782	GLN	0	-0.039	-0.039	42.975	0.003	0.003	0.000	0.000	0.000	0.000
646	A	783	CYS	0	-0.059	-0.008	38.450	0.005	0.005	0.000	0.000	0.000	0.000
647	A	784	LEU	0	-0.007	-0.005	38.363	0.003	0.003	0.000	0.000	0.000	0.000
648	A	785	CYS	0	-0.039	-0.025	38.846	0.002	0.002	0.000	0.000	0.000	0.000
649	A	786	ASN	0	-0.039	-0.016	35.794	0.007	0.007	0.000	0.000	0.000	0.000
650	A	787	LEU	0	-0.008	-0.020	33.525	0.005	0.005	0.000	0.000	0.000	0.000
651	A	788	VAL	0	-0.035	-0.017	34.215	-0.002	-0.002	0.000	0.000	0.000	0.000
652	A	789	MET	0	-0.032	-0.009	32.614	0.005	0.005	0.000	0.000	0.000	0.000
653	A	790	SER	0	-0.042	-0.030	29.486	0.000	0.000	0.000	0.000	0.000	0.000
654	A	791	GLU	-1	-0.791	-0.899	28.160	0.015	0.015	0.000	0.000	0.000	0.000
655	A	792	ASP	-1	-0.852	-0.905	28.304	-0.031	-0.031	0.000	0.000	0.000	0.000
656	A	793	VAL	0	0.001	0.000	31.512	-0.010	-0.010	0.000	0.000	0.000	0.000
657	A	794	ILE	0	0.032	0.026	34.447	-0.007	-0.007	0.000	0.000	0.000	0.000
658	A	795	LYS	1	0.775	0.850	29.626	0.002	0.002	0.000	0.000	0.000	0.000
659	A	796	MET	0	-0.049	-0.020	33.694	-0.005	-0.005	0.000	0.000	0.000	0.000
660	A	797	PHE	0	0.043	0.020	37.410	-0.003	-0.003	0.000	0.000	0.000	0.000
661	A	798	GLU	-1	-0.795	-0.851	37.270	-0.006	-0.006	0.000	0.000	0.000	0.000
662	A	799	GLY	0	-0.009	0.010	39.676	-0.004	-0.004	0.000	0.000	0.000	0.000
663	A	800	ASN	0	-0.027	-0.028	40.851	0.007	0.007	0.000	0.000	0.000	0.000
664	A	801	ASN	0	-0.045	-0.035	41.196	0.001	0.001	0.000	0.000	0.000	0.000
665	A	802	ASP	-1	-0.724	-0.857	45.309	-0.002	-0.002	0.000	0.000	0.000	0.000
666	A	803	ARG	1	0.782	0.896	39.834	0.009	0.009	0.000	0.000	0.000	0.000
667	A	804	VAL	0	0.016	0.003	44.129	0.004	0.004	0.000	0.000	0.000	0.000
668	A	805	LYS	1	0.876	0.925	46.387	0.005	0.005	0.000	0.000	0.000	0.000
669	A	806	PHE	0	0.025	0.003	48.628	0.002	0.002	0.000	0.000	0.000	0.000
670	A	807	LEU	0	0.008	0.012	43.593	0.002	0.002	0.000	0.000	0.000	0.000
671	A	808	ALA	0	0.037	0.010	47.758	0.004	0.004	0.000	0.000	0.000	0.000
672	A	809	LEU	0	0.000	0.001	50.197	0.001	0.001	0.000	0.000	0.000	0.000
673	A	810	LEU	0	0.030	0.004	49.715	0.002	0.002	0.000	0.000	0.000	0.000
674	A	811	CYS	0	-0.141	-0.063	49.427	0.005	0.005	0.000	0.000	0.000	0.000
675	A	812	GLU	-1	-0.884	-0.949	51.629	0.027	0.027	0.000	0.000	0.000	0.000
676	A	813	ASP	-1	-0.884	-0.939	53.292	0.033	0.033	0.000	0.000	0.000	0.000
677	A	814	GLU	-1	-0.932	-0.964	55.240	0.031	0.031	0.000	0.000	0.000	0.000
678	A	815	ASP	-1	-0.780	-0.832	52.278	0.051	0.051	0.000	0.000	0.000	0.000
679	A	816	GLU	-1	-0.830	-0.888	53.054	0.059	0.059	0.000	0.000	0.000	0.000
680	A	817	GLU	-1	-0.888	-0.932	48.750	0.069	0.069	0.000	0.000	0.000	0.000
681	A	818	THR	0	0.016	-0.021	48.734	0.003	0.003	0.000	0.000	0.000	0.000
682	A	819	ALA	0	0.056	0.051	48.902	0.000	0.000	0.000	0.000	0.000	0.000
683	A	820	THR	0	-0.082	-0.063	47.375	0.002	0.002	0.000	0.000	0.000	0.000
684	A	821	ALA	0	-0.050	-0.027	44.731	0.004	0.004	0.000	0.000	0.000	0.000
685	A	822	CYS	0	-0.034	-0.005	44.658	0.000	0.000	0.000	0.000	0.000	0.000
686	A	823	ALA	0	0.075	0.021	45.918	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	824	GLY	0	-0.028	-0.023	44.132	0.002	0.002	0.000	0.000	0.000	0.000
688	A	825	ALA	0	0.033	0.009	41.250	0.003	0.003	0.000	0.000	0.000	0.000
689	A	826	LEU	0	0.031	0.012	41.576	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	827	ALA	0	0.003	0.016	43.728	-0.002	-0.002	0.000	0.000	0.000	0.000
691	A	828	ILE	0	-0.021	-0.006	37.185	0.002	0.002	0.000	0.000	0.000	0.000
692	A	829	ILE	0	0.019	0.008	39.091	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	830	THR	0	-0.023	-0.039	40.042	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	831	SER	0	-0.084	-0.040	39.171	0.001	0.001	0.000	0.000	0.000	0.000
695	A	832	VAL	0	-0.028	-0.021	35.108	0.004	0.004	0.000	0.000	0.000	0.000
696	A	833	SER	0	-0.038	-0.032	37.106	-0.007	-0.007	0.000	0.000	0.000	0.000
697	A	834	VAL	0	0.083	0.036	39.591	0.000	0.000	0.000	0.000	0.000	0.000
698	A	835	LYS	1	0.890	0.936	38.489	0.017	0.017	0.000	0.000	0.000	0.000
699	A	836	CYS	0	-0.056	-0.030	40.612	-0.003	-0.003	0.000	0.000	0.000	0.000
700	A	837	CYS	0	-0.028	-0.006	43.541	0.002	0.002	0.000	0.000	0.000	0.000
701	A	838	GLU	-1	-0.916	-0.967	45.224	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	839	LYS	1	0.805	0.893	43.179	0.008	0.008	0.000	0.000	0.000	0.000
703	A	840	ILE	0	0.004	0.001	46.778	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	841	LEU	0	0.007	0.012	49.760	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	842	ALA	0	-0.043	-0.007	50.591	-0.002	-0.002	0.000	0.000	0.000	0.000
706	A	843	ILE	0	-0.069	-0.015	50.239	-0.003	-0.003	0.000	0.000	0.000	0.000
707	A	844	ALA	0	-0.014	-0.017	53.804	0.001	0.001	0.000	0.000	0.000	0.000
708	A	845	SER	0	-0.004	-0.012	57.555	0.001	0.001	0.000	0.000	0.000	0.000
709	A	846	TRP	0	0.022	0.013	54.139	0.003	0.003	0.000	0.000	0.000	0.000
710	A	847	LEU	0	-0.020	-0.005	55.938	0.002	0.002	0.000	0.000	0.000	0.000
711	A	848	ASP	-1	-0.867	-0.932	58.222	0.022	0.022	0.000	0.000	0.000	0.000
712	A	849	ILE	0	0.013	0.020	53.386	0.002	0.002	0.000	0.000	0.000	0.000
713	A	850	LEU	0	-0.039	-0.026	52.164	0.003	0.003	0.000	0.000	0.000	0.000
714	A	851	HIS	0	-0.033	-0.032	55.818	0.003	0.003	0.000	0.000	0.000	0.000
715	A	852	THR	0	-0.023	-0.019	57.108	0.003	0.003	0.000	0.000	0.000	0.000
716	A	853	LEU	0	-0.026	-0.003	51.622	0.004	0.004	0.000	0.000	0.000	0.000
717	A	854	ILE	0	-0.005	-0.015	55.355	0.004	0.004	0.000	0.000	0.000	0.000
718	A	855	ALA	0	-0.025	-0.008	57.101	0.003	0.003	0.000	0.000	0.000	0.000
719	A	856	ASN	0	-0.009	0.006	56.130	0.002	0.002	0.000	0.000	0.000	0.000
720	A	857	PRO	0	0.047	0.012	58.180	0.003	0.003	0.000	0.000	0.000	0.000
721	A	858	SER	0	0.013	-0.004	54.199	0.003	0.003	0.000	0.000	0.000	0.000
722	A	859	PRO	0	0.007	-0.016	54.290	0.000	0.000	0.000	0.000	0.000	0.000
723	A	860	ALA	0	-0.038	-0.007	50.102	0.003	0.003	0.000	0.000	0.000	0.000
724	A	861	VAL	0	0.077	0.041	50.123	0.003	0.003	0.000	0.000	0.000	0.000
725	A	862	GLN	0	0.037	0.029	51.563	0.003	0.003	0.000	0.000	0.000	0.000
726	A	863	HIS	0	-0.032	-0.021	46.352	-0.002	-0.002	0.000	0.000	0.000	0.000
727	A	864	ARG	1	0.844	0.921	45.223	-0.075	-0.075	0.000	0.000	0.000	0.000
728	A	865	GLY	0	0.062	0.026	48.240	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	866	ILE	0	0.003	-0.001	50.972	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	867	VAL	0	-0.021	-0.015	44.515	0.000	0.000	0.000	0.000	0.000	0.000
731	A	868	ILE	0	-0.007	0.012	46.426	-0.001	-0.001	0.000	0.000	0.000	0.000
732	A	869	ILE	0	0.029	0.016	47.688	-0.003	-0.003	0.000	0.000	0.000	0.000
733	A	870	LEU	0	0.028	0.000	46.383	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	871	ASN	0	-0.056	-0.031	43.313	0.003	0.003	0.000	0.000	0.000	0.000
735	A	872	MET	0	-0.010	-0.004	45.591	-0.003	-0.003	0.000	0.000	0.000	0.000
736	A	873	ILE	0	0.005	0.006	48.023	-0.003	-0.003	0.000	0.000	0.000	0.000
737	A	874	ASN	0	-0.057	-0.042	44.465	0.001	0.001	0.000	0.000	0.000	0.000
738	A	875	ALA	0	0.002	0.026	43.733	0.000	0.000	0.000	0.000	0.000	0.000
739	A	876	GLY	0	0.031	0.003	44.473	-0.004	-0.004	0.000	0.000	0.000	0.000
740	A	877	GLU	-1	-0.870	-0.933	46.997	0.016	0.016	0.000	0.000	0.000	0.000
741	A	878	GLU	-1	-0.855	-0.921	50.334	0.009	0.009	0.000	0.000	0.000	0.000
742	A	879	ILE	0	0.027	0.024	46.430	-0.001	-0.001	0.000	0.000	0.000	0.000
743	A	880	ALA	0	0.011	0.007	50.612	0.001	0.001	0.000	0.000	0.000	0.000
744	A	881	LYS	1	0.802	0.888	52.208	-0.014	-0.014	0.000	0.000	0.000	0.000
745	A	882	LYS	1	0.825	0.926	54.225	-0.010	-0.010	0.000	0.000	0.000	0.000
746	A	883	LEU	0	0.025	0.017	52.138	0.000	0.000	0.000	0.000	0.000	0.000
747	A	884	PHE	0	-0.032	-0.026	53.272	0.001	0.001	0.000	0.000	0.000	0.000
748	A	885	GLU	-1	-0.927	-0.966	58.261	0.012	0.012	0.000	0.000	0.000	0.000
749	A	886	THR	0	-0.059	-0.034	58.974	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	887	ASP	-1	-0.794	-0.892	61.199	0.027	0.027	0.000	0.000	0.000	0.000
751	A	888	ILE	0	0.032	0.022	55.831	0.002	0.002	0.000	0.000	0.000	0.000
752	A	889	MET	0	-0.027	-0.015	55.292	0.003	0.003	0.000	0.000	0.000	0.000
753	A	890	GLU	-1	-0.948	-0.960	59.345	0.031	0.031	0.000	0.000	0.000	0.000
754	A	891	LEU	0	0.018	0.012	60.828	0.002	0.002	0.000	0.000	0.000	0.000
755	A	892	LEU	0	-0.003	-0.013	54.835	0.003	0.003	0.000	0.000	0.000	0.000
756	A	893	SER	0	-0.068	-0.043	58.787	0.003	0.003	0.000	0.000	0.000	0.000
757	A	894	GLY	0	0.002	0.011	61.067	0.001	0.001	0.000	0.000	0.000	0.000
758	A	895	LEU	0	-0.104	-0.051	57.271	0.002	0.002	0.000	0.000	0.000	0.000
759	A	896	GLY	0	0.075	0.040	57.617	0.003	0.003	0.000	0.000	0.000	0.000
760	A	897	GLN	0	-0.083	-0.069	52.816	-0.002	-0.002	0.000	0.000	0.000	0.000
761	A	898	LEU	0	0.013	-0.002	56.946	-0.002	-0.002	0.000	0.000	0.000	0.000
762	A	899	PRO	0	-0.018	-0.019	54.446	0.000	0.000	0.000	0.000	0.000	0.000
763	A	900	ASP	-1	-0.901	-0.950	55.011	0.082	0.082	0.000	0.000	0.000	0.000
764	A	901	ASP	-1	-0.823	-0.887	57.506	0.060	0.060	0.000	0.000	0.000	0.000
765	A	902	THR	0	-0.017	-0.017	56.228	0.003	0.003	0.000	0.000	0.000	0.000
766	A	903	ARG	1	0.826	0.889	55.328	-0.052	-0.052	0.000	0.000	0.000	0.000
767	A	904	ALA	0	-0.014	0.011	53.922	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	905	LYS	1	0.916	0.948	46.659	-0.100	-0.100	0.000	0.000	0.000	0.000
769	A	906	ALA	0	0.083	0.038	50.862	0.001	0.001	0.000	0.000	0.000	0.000
770	A	907	ARG	1	0.811	0.898	52.748	-0.060	-0.060	0.000	0.000	0.000	0.000
771	A	908	GLU	-1	-0.838	-0.863	49.443	0.079	0.079	0.000	0.000	0.000	0.000
772	A	909	VAL	0	0.005	0.003	47.987	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	910	ALA	0	0.054	0.034	50.562	-0.003	-0.003	0.000	0.000	0.000	0.000
774	A	911	THR	0	-0.004	-0.014	53.743	-0.003	-0.003	0.000	0.000	0.000	0.000
775	A	912	GLN	0	-0.081	-0.068	47.128	-0.002	-0.002	0.000	0.000	0.000	0.000
776	A	913	CYS	0	-0.056	-0.007	50.880	-0.002	-0.002	0.000	0.000	0.000	0.000
777	A	914	LEU	0	0.019	0.014	52.385	-0.003	-0.003	0.000	0.000	0.000	0.000
778	A	915	ALA	0	-0.012	-0.006	51.425	-0.002	-0.002	0.000	0.000	0.000	0.000
779	A	916	ALA	0	-0.056	-0.030	49.327	0.000	0.000	0.000	0.000	0.000	0.000
780	A	917	ALA	0	0.018	0.003	50.822	-0.003	-0.003	0.000	0.000	0.000	0.000
781	A	918	GLU	-1	-0.791	-0.854	54.087	0.038	0.038	0.000	0.000	0.000	0.000
782	A	919	ARG	1	0.848	0.912	46.422	-0.060	-0.060	0.000	0.000	0.000	0.000
783	A	920	TYR	0	-0.020	-0.023	48.600	-0.003	-0.003	0.000	0.000	0.000	0.000
784	A	921	ARG	1	0.786	0.867	53.402	-0.038	-0.038	0.000	0.000	0.000	0.000
785	A	922	ILE	0	-0.062	-0.024	53.839	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	923	ILE	0	-0.058	-0.014	50.565	-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:138:ASN)