FMO DATABASE

FMODB ID: K3433

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	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	786
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19112766.25021
FMO2-HF: Nuclear repulsion	18801322.8561
FMO2-HF: Total energy	-311443.39411
FMO2-MP2: Total energy	-312329.972233

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.
-18.581	-14.276	3.892	-2.89	-5.308	0.001

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 : 0.075 / q_NPA : 0.017

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	0.967	0.967	3.757	-6.756	-5.295	0.016	-0.536	-0.941	0.003
4	A	141	THR	0	0.062	0.029	2.864	-5.274	-3.548	0.145	-0.675	-1.197	0.005
5	A	142	SER	0	0.058	0.021	3.400	-1.138	-0.804	0.003	-0.095	-0.242	0.000
6	A	143	THR	0	-0.030	0.001	5.744	-0.175	-0.175	0.000	0.000	0.000	0.000
7	A	144	LYS	1	0.972	0.987	8.533	-2.476	-2.476	0.000	0.000	0.000	0.000
8	A	145	VAL	0	0.052	0.039	7.978	-0.175	-0.175	0.000	0.000	0.000	0.000
9	A	146	LYS	1	0.858	0.910	9.080	0.296	0.296	0.000	0.000	0.000	0.000
10	A	147	GLN	0	0.008	0.001	12.146	0.076	0.076	0.000	0.000	0.000	0.000
11	A	148	MET	0	0.008	0.013	13.608	-0.102	-0.102	0.000	0.000	0.000	0.000
12	A	149	MET	0	-0.020	0.001	13.032	-0.077	-0.077	0.000	0.000	0.000	0.000
13	A	150	ASP	-1	-0.915	-0.947	15.800	0.079	0.079	0.000	0.000	0.000	0.000
14	A	151	LEU	0	-0.033	-0.021	18.132	-0.022	-0.022	0.000	0.000	0.000	0.000
15	A	152	THR	0	-0.021	-0.035	18.259	-0.012	-0.012	0.000	0.000	0.000	0.000
16	A	153	PHE	0	-0.044	-0.049	17.723	-0.029	-0.029	0.000	0.000	0.000	0.000
17	A	154	ASP	-1	-0.878	-0.923	22.110	0.118	0.118	0.000	0.000	0.000	0.000
18	A	155	LEU	0	-0.075	-0.054	24.273	0.020	0.020	0.000	0.000	0.000	0.000
19	A	156	ALA	0	0.000	0.025	26.305	0.001	0.001	0.000	0.000	0.000	0.000
20	A	157	THR	0	-0.025	-0.021	22.682	0.015	0.015	0.000	0.000	0.000	0.000
21	A	158	PRO	0	0.062	0.023	26.038	-0.006	-0.006	0.000	0.000	0.000	0.000
22	A	159	ILE	0	-0.018	-0.008	27.577	-0.003	-0.003	0.000	0.000	0.000	0.000
23	A	160	ASP	-1	-0.829	-0.915	23.672	0.362	0.362	0.000	0.000	0.000	0.000
24	A	161	LYS	1	0.872	0.960	22.666	-0.129	-0.129	0.000	0.000	0.000	0.000
25	A	162	ARG	1	0.823	0.885	22.188	-0.192	-0.192	0.000	0.000	0.000	0.000
26	A	163	ARG	1	0.820	0.898	20.915	-0.378	-0.378	0.000	0.000	0.000	0.000
27	A	164	ALA	0	0.042	0.009	17.971	0.062	0.062	0.000	0.000	0.000	0.000
28	A	165	ALA	0	0.041	0.030	17.484	0.042	0.042	0.000	0.000	0.000	0.000
29	A	166	ALA	0	0.008	0.007	18.291	0.030	0.030	0.000	0.000	0.000	0.000
30	A	167	ASN	0	-0.052	-0.029	14.730	0.123	0.123	0.000	0.000	0.000	0.000
31	A	168	ASN	0	-0.023	-0.015	14.336	0.164	0.164	0.000	0.000	0.000	0.000
32	A	169	LEU	0	0.004	-0.018	13.747	0.085	0.085	0.000	0.000	0.000	0.000
33	A	170	VAL	0	-0.045	-0.018	12.754	-0.008	-0.008	0.000	0.000	0.000	0.000
34	A	171	VAL	0	-0.046	-0.021	8.077	0.115	0.115	0.000	0.000	0.000	0.000
35	A	172	LEU	0	-0.016	-0.003	9.180	0.188	0.188	0.000	0.000	0.000	0.000
36	A	173	ALA	0	0.037	0.027	11.279	-0.163	-0.163	0.000	0.000	0.000	0.000
37	A	174	LYS	1	0.811	0.903	11.254	-0.034	-0.034	0.000	0.000	0.000	0.000
38	A	175	GLU	-1	-0.918	-0.961	7.074	2.250	2.250	0.000	0.000	0.000	0.000
39	A	176	GLN	0	0.061	0.049	7.032	0.021	0.021	0.000	0.000	0.000	0.000
40	A	177	THR	0	-0.028	-0.012	2.042	-4.720	-4.216	3.730	-1.546	-2.688	-0.007
41	A	178	GLY	0	-0.018	-0.002	4.295	1.099	1.326	-0.001	-0.036	-0.190	0.000
42	A	179	ALA	0	0.026	0.001	6.808	-0.270	-0.270	0.000	0.000	0.000	0.000
43	A	180	GLU	-1	-0.944	-0.993	6.199	-3.992	-3.992	0.000	0.000	0.000	0.000
44	A	181	LEU	0	-0.025	-0.011	4.767	-0.173	-0.120	-0.001	-0.002	-0.050	0.000
45	A	182	LEU	0	0.051	0.033	8.714	0.049	0.049	0.000	0.000	0.000	0.000
46	A	183	TYR	0	-0.006	-0.007	11.830	0.059	0.059	0.000	0.000	0.000	0.000
47	A	184	LYS	1	0.998	0.998	9.511	1.770	1.770	0.000	0.000	0.000	0.000
48	A	185	ASP	-1	-0.938	-0.948	10.875	-0.491	-0.491	0.000	0.000	0.000	0.000
49	A	186	HIS	0	0.007	-0.009	13.526	0.155	0.155	0.000	0.000	0.000	0.000
50	A	187	CYS	0	-0.023	0.005	14.890	0.095	0.095	0.000	0.000	0.000	0.000
51	A	188	ILE	0	0.027	0.010	16.851	0.054	0.054	0.000	0.000	0.000	0.000
52	A	189	ALA	0	0.088	0.054	19.579	0.041	0.041	0.000	0.000	0.000	0.000
53	A	190	LYS	1	0.903	0.952	16.690	0.071	0.071	0.000	0.000	0.000	0.000
54	A	191	VAL	0	0.033	0.016	19.706	0.037	0.037	0.000	0.000	0.000	0.000
55	A	192	ALA	0	0.040	0.040	22.367	0.018	0.018	0.000	0.000	0.000	0.000
56	A	193	SER	0	-0.106	-0.053	24.685	0.007	0.007	0.000	0.000	0.000	0.000
57	A	194	LEU	0	-0.012	-0.009	23.350	0.007	0.007	0.000	0.000	0.000	0.000
58	A	195	THR	0	0.015	-0.018	25.555	0.009	0.009	0.000	0.000	0.000	0.000
59	A	196	LYS	1	0.904	0.974	27.938	0.057	0.057	0.000	0.000	0.000	0.000
60	A	197	VAL	0	-0.020	-0.009	30.111	0.001	0.001	0.000	0.000	0.000	0.000
61	A	198	GLU	-1	-0.768	-0.864	27.371	0.136	0.136	0.000	0.000	0.000	0.000
62	A	199	LYS	1	0.835	0.899	30.104	-0.059	-0.059	0.000	0.000	0.000	0.000
63	A	200	ASP	-1	-0.821	-0.898	28.915	0.181	0.181	0.000	0.000	0.000	0.000
64	A	201	GLN	0	0.042	-0.009	29.195	0.002	0.002	0.000	0.000	0.000	0.000
65	A	202	ASP	-1	-0.858	-0.916	26.323	0.251	0.251	0.000	0.000	0.000	0.000
66	A	203	ILE	0	-0.008	-0.002	23.588	0.018	0.018	0.000	0.000	0.000	0.000
67	A	204	TYR	0	0.010	0.003	24.307	-0.006	-0.006	0.000	0.000	0.000	0.000
68	A	205	VAL	0	0.034	0.020	25.374	-0.014	-0.014	0.000	0.000	0.000	0.000
69	A	206	ASN	0	-0.062	-0.045	21.086	0.014	0.014	0.000	0.000	0.000	0.000
70	A	207	MET	0	-0.023	0.003	19.711	0.004	0.004	0.000	0.000	0.000	0.000
71	A	208	VAL	0	0.031	0.014	21.384	-0.026	-0.026	0.000	0.000	0.000	0.000
72	A	209	HIS	0	0.025	0.007	20.347	-0.030	-0.030	0.000	0.000	0.000	0.000
73	A	210	LEU	0	0.003	0.017	15.792	-0.008	-0.008	0.000	0.000	0.000	0.000
74	A	211	VAL	0	0.002	-0.001	17.568	-0.042	-0.042	0.000	0.000	0.000	0.000
75	A	212	ALA	0	0.038	0.013	19.265	-0.055	-0.055	0.000	0.000	0.000	0.000
76	A	213	ALA	0	-0.017	-0.020	15.236	-0.043	-0.043	0.000	0.000	0.000	0.000
77	A	214	LEU	0	-0.027	-0.004	13.265	-0.064	-0.064	0.000	0.000	0.000	0.000
78	A	215	CYS	0	-0.040	-0.006	15.350	-0.120	-0.120	0.000	0.000	0.000	0.000
79	A	216	GLU	-1	-0.806	-0.891	15.837	-0.013	-0.013	0.000	0.000	0.000	0.000
80	A	217	ASN	0	-0.077	-0.048	15.348	-0.062	-0.062	0.000	0.000	0.000	0.000
81	A	218	SER	0	0.046	0.031	14.442	-0.098	-0.098	0.000	0.000	0.000	0.000
82	A	219	VAL	0	0.020	0.007	16.419	0.042	0.042	0.000	0.000	0.000	0.000
83	A	220	GLU	-1	-0.946	-0.967	15.471	-0.924	-0.924	0.000	0.000	0.000	0.000
84	A	221	ARG	1	0.908	0.934	10.937	0.855	0.855	0.000	0.000	0.000	0.000
85	A	222	THR	0	0.000	0.012	17.337	0.084	0.084	0.000	0.000	0.000	0.000
86	A	223	LYS	1	0.818	0.886	20.412	0.392	0.392	0.000	0.000	0.000	0.000
87	A	224	GLY	0	-0.018	-0.008	20.365	0.028	0.028	0.000	0.000	0.000	0.000
88	A	225	VAL	0	0.011	-0.012	19.438	0.032	0.032	0.000	0.000	0.000	0.000
89	A	226	LEU	0	-0.090	-0.048	22.042	0.035	0.035	0.000	0.000	0.000	0.000
90	A	227	THR	0	-0.073	-0.020	24.741	0.019	0.019	0.000	0.000	0.000	0.000
91	A	228	GLU	-1	-0.919	-0.965	21.262	-0.262	-0.262	0.000	0.000	0.000	0.000
92	A	229	LEU	0	-0.052	-0.019	23.558	0.030	0.030	0.000	0.000	0.000	0.000
93	A	230	GLY	0	0.076	0.041	27.158	-0.012	-0.012	0.000	0.000	0.000	0.000
94	A	231	VAL	0	0.128	0.046	29.470	0.013	0.013	0.000	0.000	0.000	0.000
95	A	232	PRO	0	-0.010	-0.025	30.428	0.013	0.013	0.000	0.000	0.000	0.000
96	A	233	TRP	0	-0.060	-0.021	25.236	0.010	0.010	0.000	0.000	0.000	0.000
97	A	234	PHE	0	0.068	0.014	24.120	0.017	0.017	0.000	0.000	0.000	0.000
98	A	235	MET	0	-0.027	-0.003	29.798	0.013	0.013	0.000	0.000	0.000	0.000
99	A	236	ARG	1	0.949	0.972	32.590	0.058	0.058	0.000	0.000	0.000	0.000
100	A	237	VAL	0	-0.038	-0.005	28.149	0.011	0.011	0.000	0.000	0.000	0.000
101	A	238	LEU	0	-0.039	-0.029	31.571	0.012	0.012	0.000	0.000	0.000	0.000
102	A	239	ASP	-1	-0.787	-0.875	34.014	0.003	0.003	0.000	0.000	0.000	0.000
103	A	240	GLN	0	-0.015	0.009	32.234	0.006	0.006	0.000	0.000	0.000	0.000
104	A	241	LYS	1	0.961	0.986	35.616	-0.012	-0.012	0.000	0.000	0.000	0.000
105	A	242	HIS	0	-0.011	0.002	34.532	0.004	0.004	0.000	0.000	0.000	0.000
106	A	243	GLU	-1	-0.868	-0.948	34.650	0.092	0.092	0.000	0.000	0.000	0.000
107	A	244	ASN	0	0.001	-0.002	29.762	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	245	CYS	0	-0.032	0.025	30.206	0.003	0.003	0.000	0.000	0.000	0.000
109	A	246	VAL	0	0.062	0.014	30.717	-0.007	-0.007	0.000	0.000	0.000	0.000
110	A	247	SER	0	0.003	-0.010	29.676	-0.013	-0.013	0.000	0.000	0.000	0.000
111	A	248	THR	0	-0.035	-0.024	25.217	0.001	0.001	0.000	0.000	0.000	0.000
112	A	249	ALA	0	0.038	0.009	26.806	-0.013	-0.013	0.000	0.000	0.000	0.000
113	A	250	GLN	0	-0.072	-0.040	28.178	-0.010	-0.010	0.000	0.000	0.000	0.000
114	A	251	PHE	0	0.007	0.019	20.829	-0.015	-0.015	0.000	0.000	0.000	0.000
115	A	252	CYS	0	-0.032	0.020	23.581	-0.014	-0.014	0.000	0.000	0.000	0.000
116	A	253	LEU	0	0.023	0.017	24.627	-0.028	-0.028	0.000	0.000	0.000	0.000
117	A	254	GLN	0	0.008	0.009	26.334	-0.011	-0.011	0.000	0.000	0.000	0.000
118	A	255	THR	0	-0.030	-0.024	19.932	-0.018	-0.018	0.000	0.000	0.000	0.000
119	A	256	ILE	0	-0.011	-0.018	22.289	-0.039	-0.039	0.000	0.000	0.000	0.000
120	A	257	LEU	0	-0.003	0.001	23.812	-0.031	-0.031	0.000	0.000	0.000	0.000
121	A	258	ASN	0	-0.022	0.003	22.925	-0.014	-0.014	0.000	0.000	0.000	0.000
122	A	259	ALA	0	0.011	0.006	19.952	-0.024	-0.024	0.000	0.000	0.000	0.000
123	A	260	LEU	0	-0.066	-0.030	21.431	-0.038	-0.038	0.000	0.000	0.000	0.000
124	A	261	SER	0	0.054	0.011	24.300	-0.011	-0.011	0.000	0.000	0.000	0.000
125	A	262	GLY	0	0.015	0.016	22.594	0.004	0.004	0.000	0.000	0.000	0.000
126	A	263	LEU	0	-0.023	0.022	23.532	0.002	0.002	0.000	0.000	0.000	0.000
127	A	264	LYS	1	0.866	0.923	19.778	0.263	0.263	0.000	0.000	0.000	0.000
128	A	265	ASN	0	0.002	0.000	21.714	0.008	0.008	0.000	0.000	0.000	0.000
129	A	266	LYS	1	0.915	0.948	20.909	0.128	0.128	0.000	0.000	0.000	0.000
130	A	267	PRO	0	0.044	0.012	24.767	-0.015	-0.015	0.000	0.000	0.000	0.000
131	A	268	ASP	-1	-0.830	-0.895	28.309	-0.065	-0.065	0.000	0.000	0.000	0.000
132	A	269	SER	0	-0.005	0.023	25.563	-0.016	-0.016	0.000	0.000	0.000	0.000
133	A	270	LYS	1	0.915	0.939	27.747	0.086	0.086	0.000	0.000	0.000	0.000
134	A	271	PRO	0	0.007	0.007	27.123	-0.013	-0.013	0.000	0.000	0.000	0.000
135	A	272	ASP	-1	-0.878	-0.938	23.780	-0.275	-0.275	0.000	0.000	0.000	0.000
136	A	273	LYS	1	1.025	0.998	27.293	0.196	0.196	0.000	0.000	0.000	0.000
137	A	274	GLU	-1	-0.895	-0.940	25.946	-0.357	-0.357	0.000	0.000	0.000	0.000
138	A	275	LEU	0	-0.007	-0.007	21.681	-0.004	-0.004	0.000	0.000	0.000	0.000
139	A	276	CYS	0	0.018	0.024	26.330	0.004	0.004	0.000	0.000	0.000	0.000
140	A	277	THR	0	-0.040	-0.013	29.506	0.015	0.015	0.000	0.000	0.000	0.000
141	A	278	ARG	1	0.858	0.921	21.771	0.435	0.435	0.000	0.000	0.000	0.000
142	A	279	ASN	0	-0.010	-0.023	23.883	-0.022	-0.022	0.000	0.000	0.000	0.000
143	A	280	ASN	0	0.074	0.039	28.168	0.000	0.000	0.000	0.000	0.000	0.000
144	A	281	ARG	1	0.883	0.952	29.755	0.263	0.263	0.000	0.000	0.000	0.000
145	A	282	GLU	-1	-0.776	-0.876	27.128	-0.273	-0.273	0.000	0.000	0.000	0.000
146	A	283	ILE	0	0.008	0.000	27.920	0.015	0.015	0.000	0.000	0.000	0.000
147	A	284	ASP	-1	-0.774	-0.854	30.501	-0.116	-0.116	0.000	0.000	0.000	0.000
148	A	285	THR	0	-0.047	-0.034	31.730	0.012	0.012	0.000	0.000	0.000	0.000
149	A	286	LEU	0	-0.026	-0.008	28.402	0.011	0.011	0.000	0.000	0.000	0.000
150	A	287	LEU	0	0.038	0.029	32.281	0.014	0.014	0.000	0.000	0.000	0.000
151	A	288	THR	0	-0.013	-0.019	35.311	0.012	0.012	0.000	0.000	0.000	0.000
152	A	289	CYS	0	-0.058	-0.030	34.116	0.008	0.008	0.000	0.000	0.000	0.000
153	A	290	LEU	0	0.019	0.023	32.830	0.011	0.011	0.000	0.000	0.000	0.000
154	A	291	VAL	0	0.054	0.013	36.784	0.009	0.009	0.000	0.000	0.000	0.000
155	A	292	TYR	0	-0.048	-0.032	39.743	0.009	0.009	0.000	0.000	0.000	0.000
156	A	293	SER	0	-0.024	-0.025	37.781	0.004	0.004	0.000	0.000	0.000	0.000
157	A	294	ILE	0	-0.015	0.011	40.075	0.007	0.007	0.000	0.000	0.000	0.000
158	A	295	THR	0	-0.011	-0.008	42.347	0.005	0.005	0.000	0.000	0.000	0.000
159	A	296	ASP	-1	-0.825	-0.876	41.237	-0.039	-0.039	0.000	0.000	0.000	0.000
160	A	297	ARG	1	0.891	0.934	44.061	0.030	0.030	0.000	0.000	0.000	0.000
161	A	298	THR	0	-0.096	-0.055	41.337	0.003	0.003	0.000	0.000	0.000	0.000
162	A	299	ILE	0	-0.068	-0.016	38.702	0.004	0.004	0.000	0.000	0.000	0.000
163	A	300	SER	0	-0.035	-0.042	40.566	0.002	0.002	0.000	0.000	0.000	0.000
164	A	301	GLY	0	0.031	-0.007	41.919	-0.003	-0.003	0.000	0.000	0.000	0.000
165	A	302	ALA	0	-0.008	-0.006	38.957	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	303	ALA	0	0.009	0.008	37.395	0.000	0.000	0.000	0.000	0.000	0.000
167	A	304	ARG	1	0.838	0.901	38.115	0.014	0.014	0.000	0.000	0.000	0.000
168	A	305	ASP	-1	-0.787	-0.876	40.160	0.001	0.001	0.000	0.000	0.000	0.000
169	A	306	GLY	0	-0.009	-0.006	36.004	-0.003	-0.003	0.000	0.000	0.000	0.000
170	A	307	VAL	0	0.015	0.002	35.516	-0.006	-0.006	0.000	0.000	0.000	0.000
171	A	308	ILE	0	0.030	0.005	36.871	-0.006	-0.006	0.000	0.000	0.000	0.000
172	A	309	GLU	-1	-0.814	-0.891	36.209	0.011	0.011	0.000	0.000	0.000	0.000
173	A	310	LEU	0	-0.033	-0.016	30.358	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	311	ILE	0	0.004	0.015	34.284	-0.009	-0.009	0.000	0.000	0.000	0.000
175	A	312	THR	0	-0.010	-0.009	36.713	-0.004	-0.004	0.000	0.000	0.000	0.000
176	A	313	ARG	1	0.786	0.867	32.333	-0.003	-0.003	0.000	0.000	0.000	0.000
177	A	314	ASN	0	-0.060	-0.047	30.956	-0.010	-0.010	0.000	0.000	0.000	0.000
178	A	315	VAL	0	-0.024	-0.008	34.101	-0.010	-0.010	0.000	0.000	0.000	0.000
179	A	316	HIS	0	0.019	0.019	34.065	-0.010	-0.010	0.000	0.000	0.000	0.000
180	A	317	TYR	0	-0.035	0.001	30.773	-0.005	-0.005	0.000	0.000	0.000	0.000
181	A	318	THR	0	0.062	0.016	34.822	-0.006	-0.006	0.000	0.000	0.000	0.000
182	A	319	ALA	0	-0.063	-0.029	32.063	-0.004	-0.004	0.000	0.000	0.000	0.000
183	A	320	LEU	0	0.000	-0.013	30.028	-0.013	-0.013	0.000	0.000	0.000	0.000
184	A	321	GLU	-1	-0.943	-0.963	34.006	-0.120	-0.120	0.000	0.000	0.000	0.000
185	A	322	TRP	0	0.028	-0.004	32.114	0.007	0.007	0.000	0.000	0.000	0.000
186	A	323	ALA	0	0.014	0.024	37.717	0.004	0.004	0.000	0.000	0.000	0.000
187	A	324	GLU	-1	-0.806	-0.888	40.954	-0.074	-0.074	0.000	0.000	0.000	0.000
188	A	325	ARG	1	0.801	0.859	38.133	0.121	0.121	0.000	0.000	0.000	0.000
189	A	326	LEU	0	-0.023	-0.015	40.120	0.002	0.002	0.000	0.000	0.000	0.000
190	A	327	VAL	0	0.009	0.005	41.876	0.004	0.004	0.000	0.000	0.000	0.000
191	A	328	GLU	-1	-0.805	-0.878	42.880	-0.100	-0.100	0.000	0.000	0.000	0.000
192	A	329	ILE	0	-0.089	-0.031	41.076	0.002	0.002	0.000	0.000	0.000	0.000
193	A	330	ARG	1	0.836	0.874	44.547	0.058	0.058	0.000	0.000	0.000	0.000
194	A	331	GLY	0	0.014	0.000	44.188	0.004	0.004	0.000	0.000	0.000	0.000
195	A	332	LEU	0	0.010	0.011	45.084	0.005	0.005	0.000	0.000	0.000	0.000
196	A	333	CYS	0	-0.019	0.000	47.805	0.004	0.004	0.000	0.000	0.000	0.000
197	A	334	ARG	1	0.862	0.935	44.403	0.065	0.065	0.000	0.000	0.000	0.000
198	A	335	LEU	0	-0.011	-0.011	43.064	0.004	0.004	0.000	0.000	0.000	0.000
199	A	336	LEU	0	0.030	0.007	46.937	0.004	0.004	0.000	0.000	0.000	0.000
200	A	337	ASP	-1	-0.849	-0.904	49.499	-0.031	-0.031	0.000	0.000	0.000	0.000
201	A	338	VAL	0	-0.021	-0.020	45.407	0.003	0.003	0.000	0.000	0.000	0.000
202	A	339	CYS	0	-0.097	-0.039	48.848	0.003	0.003	0.000	0.000	0.000	0.000
203	A	340	SER	0	-0.039	-0.009	51.019	0.003	0.003	0.000	0.000	0.000	0.000
204	A	341	GLU	-1	-0.777	-0.870	50.953	-0.016	-0.016	0.000	0.000	0.000	0.000
205	A	342	LEU	0	-0.007	0.000	53.071	0.003	0.003	0.000	0.000	0.000	0.000
206	A	343	GLU	-1	-0.901	-0.959	50.524	0.012	0.012	0.000	0.000	0.000	0.000
207	A	344	ASP	-1	-0.895	-0.930	54.099	0.010	0.010	0.000	0.000	0.000	0.000
208	A	345	TYR	0	-0.041	-0.034	57.523	0.001	0.001	0.000	0.000	0.000	0.000
209	A	346	LYS	1	0.920	0.964	53.405	-0.005	-0.005	0.000	0.000	0.000	0.000
210	A	347	TYR	0	0.012	0.013	57.321	0.001	0.001	0.000	0.000	0.000	0.000
211	A	348	GLU	-1	-0.926	-0.966	57.074	-0.015	-0.015	0.000	0.000	0.000	0.000
212	A	349	SER	0	-0.053	-0.018	54.670	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	350	ALA	0	0.019	0.009	52.897	0.000	0.000	0.000	0.000	0.000	0.000
214	A	351	MET	0	-0.121	-0.043	47.324	-0.002	-0.002	0.000	0.000	0.000	0.000
215	A	352	ASP	-1	-0.835	-0.909	45.687	0.008	0.008	0.000	0.000	0.000	0.000
216	A	353	ILE	0	-0.017	-0.011	46.091	-0.002	-0.002	0.000	0.000	0.000	0.000
217	A	354	THR	0	-0.006	-0.012	43.659	0.005	0.005	0.000	0.000	0.000	0.000
218	A	355	GLY	0	0.068	0.038	47.039	-0.002	-0.002	0.000	0.000	0.000	0.000
219	A	356	SER	0	-0.043	-0.033	44.288	0.000	0.000	0.000	0.000	0.000	0.000
220	A	357	SER	0	-0.013	-0.011	44.694	-0.002	-0.002	0.000	0.000	0.000	0.000
221	A	358	SER	0	0.080	0.040	46.180	-0.004	-0.004	0.000	0.000	0.000	0.000
222	A	359	THR	0	-0.011	-0.005	46.674	-0.003	-0.003	0.000	0.000	0.000	0.000
223	A	360	ILE	0	-0.018	-0.015	41.091	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	361	ALA	0	0.031	0.016	43.719	-0.004	-0.004	0.000	0.000	0.000	0.000
225	A	362	SER	0	0.013	-0.006	45.504	-0.004	-0.004	0.000	0.000	0.000	0.000
226	A	363	VAL	0	-0.048	-0.020	42.776	-0.002	-0.002	0.000	0.000	0.000	0.000
227	A	364	CYS	0	-0.040	-0.002	40.654	-0.005	-0.005	0.000	0.000	0.000	0.000
228	A	365	LEU	0	0.012	-0.003	43.332	-0.005	-0.005	0.000	0.000	0.000	0.000
229	A	366	ALA	0	-0.012	-0.008	46.521	-0.003	-0.003	0.000	0.000	0.000	0.000
230	A	367	ARG	1	0.882	0.945	38.984	0.023	0.023	0.000	0.000	0.000	0.000
231	A	368	ILE	0	-0.012	-0.021	42.102	-0.005	-0.005	0.000	0.000	0.000	0.000
232	A	369	TYR	0	-0.001	-0.002	43.784	-0.004	-0.004	0.000	0.000	0.000	0.000
233	A	370	GLU	-1	-0.909	-0.944	43.396	-0.030	-0.030	0.000	0.000	0.000	0.000
234	A	371	ASN	0	-0.051	-0.032	40.877	-0.006	-0.006	0.000	0.000	0.000	0.000
235	A	372	MET	0	-0.048	0.002	43.658	-0.006	-0.006	0.000	0.000	0.000	0.000
236	A	373	TYR	0	-0.013	-0.017	40.533	0.001	0.001	0.000	0.000	0.000	0.000
237	A	374	TYR	0	0.061	0.028	45.877	0.005	0.005	0.000	0.000	0.000	0.000
238	A	375	ASP	-1	-0.837	-0.930	49.917	-0.047	-0.047	0.000	0.000	0.000	0.000
239	A	376	GLU	-1	-0.937	-0.971	51.541	-0.067	-0.067	0.000	0.000	0.000	0.000
240	A	377	ALA	0	-0.019	-0.001	47.703	0.000	0.000	0.000	0.000	0.000	0.000
241	A	378	LYS	1	0.875	0.923	49.800	0.050	0.050	0.000	0.000	0.000	0.000
242	A	379	ALA	0	0.001	0.012	51.609	0.002	0.002	0.000	0.000	0.000	0.000
243	A	380	ARG	1	0.889	0.910	47.118	0.075	0.075	0.000	0.000	0.000	0.000
244	A	381	PHE	0	0.012	0.000	47.010	0.001	0.001	0.000	0.000	0.000	0.000
245	A	382	THR	0	-0.050	-0.028	51.040	0.002	0.002	0.000	0.000	0.000	0.000
246	A	383	ASP	-1	-0.878	-0.931	54.518	-0.044	-0.044	0.000	0.000	0.000	0.000
247	A	384	GLN	0	-0.013	-0.009	48.508	0.003	0.003	0.000	0.000	0.000	0.000
248	A	385	ILE	0	-0.041	-0.022	50.968	0.002	0.002	0.000	0.000	0.000	0.000
249	A	386	ASP	-1	-0.776	-0.889	54.572	-0.033	-0.033	0.000	0.000	0.000	0.000
250	A	387	GLU	-1	-0.900	-0.921	55.657	-0.048	-0.048	0.000	0.000	0.000	0.000
251	A	388	TYR	0	-0.012	-0.050	52.855	0.002	0.002	0.000	0.000	0.000	0.000
252	A	389	ILE	0	-0.031	-0.014	56.444	0.002	0.002	0.000	0.000	0.000	0.000
253	A	390	LYS	1	0.850	0.906	59.357	0.038	0.038	0.000	0.000	0.000	0.000
254	A	391	ASP	-1	-0.953	-0.976	58.201	-0.035	-0.035	0.000	0.000	0.000	0.000
255	A	392	LYS	1	0.885	0.958	54.491	0.033	0.033	0.000	0.000	0.000	0.000
256	A	393	LEU	0	-0.025	-0.013	61.033	0.002	0.002	0.000	0.000	0.000	0.000
257	A	394	LEU	0	-0.038	-0.003	64.226	0.001	0.001	0.000	0.000	0.000	0.000
258	A	395	ALA	0	-0.023	-0.010	65.031	0.000	0.000	0.000	0.000	0.000	0.000
259	A	396	PRO	0	0.005	0.017	66.032	0.000	0.000	0.000	0.000	0.000	0.000
260	A	397	ASP	-1	-0.816	-0.903	64.674	-0.016	-0.016	0.000	0.000	0.000	0.000
261	A	398	MET	0	-0.010	-0.015	66.350	0.000	0.000	0.000	0.000	0.000	0.000
262	A	399	GLU	-1	-0.804	-0.878	58.924	-0.016	-0.016	0.000	0.000	0.000	0.000
263	A	400	SER	0	-0.011	-0.026	61.571	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	401	LYS	1	0.863	0.927	62.093	0.011	0.011	0.000	0.000	0.000	0.000
265	A	402	VAL	0	-0.018	-0.030	60.978	0.000	0.000	0.000	0.000	0.000	0.000
266	A	403	ARG	1	0.822	0.889	54.542	0.018	0.018	0.000	0.000	0.000	0.000
267	A	404	VAL	0	0.030	0.027	58.099	0.000	0.000	0.000	0.000	0.000	0.000
268	A	405	THR	0	0.044	0.007	59.226	0.000	0.000	0.000	0.000	0.000	0.000
269	A	406	VAL	0	-0.030	-0.004	55.486	0.001	0.001	0.000	0.000	0.000	0.000
270	A	407	ALA	0	0.024	0.015	54.751	0.001	0.001	0.000	0.000	0.000	0.000
271	A	408	ILE	0	0.031	0.010	55.107	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	409	THR	0	-0.030	-0.034	56.740	0.001	0.001	0.000	0.000	0.000	0.000
273	A	410	ALA	0	-0.040	-0.016	51.819	0.001	0.001	0.000	0.000	0.000	0.000
274	A	411	LEU	0	0.000	0.008	52.324	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	412	LEU	0	-0.050	-0.020	53.888	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	413	ASN	0	-0.095	-0.053	52.893	0.001	0.001	0.000	0.000	0.000	0.000
277	A	414	GLY	0	0.055	0.033	49.985	0.002	0.002	0.000	0.000	0.000	0.000
278	A	415	PRO	0	-0.032	0.003	49.718	0.001	0.001	0.000	0.000	0.000	0.000
279	A	416	LEU	0	0.038	0.019	51.358	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	417	ASP	-1	-0.891	-0.938	54.575	-0.025	-0.025	0.000	0.000	0.000	0.000
281	A	418	VAL	0	-0.003	-0.001	52.389	0.000	0.000	0.000	0.000	0.000	0.000
282	A	419	GLY	0	0.041	0.019	55.435	0.000	0.000	0.000	0.000	0.000	0.000
283	A	420	ASN	0	-0.078	-0.067	56.999	0.002	0.002	0.000	0.000	0.000	0.000
284	A	421	GLN	0	-0.040	-0.031	56.527	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	422	VAL	0	0.019	0.009	57.459	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	423	VAL	0	-0.018	-0.006	60.599	0.001	0.001	0.000	0.000	0.000	0.000
287	A	424	ALA	0	-0.083	-0.049	63.113	0.001	0.001	0.000	0.000	0.000	0.000
288	A	425	ARG	1	0.901	1.005	59.673	0.035	0.035	0.000	0.000	0.000	0.000
289	A	426	GLU	-1	-0.778	-0.953	64.344	-0.023	-0.023	0.000	0.000	0.000	0.000
290	A	427	GLY	0	-0.104	-0.027	67.342	0.000	0.000	0.000	0.000	0.000	0.000
291	A	428	ILE	0	0.024	0.019	62.449	0.001	0.001	0.000	0.000	0.000	0.000
292	A	429	LEU	0	0.014	0.011	66.965	0.002	0.002	0.000	0.000	0.000	0.000
293	A	430	GLN	0	0.007	-0.010	68.186	0.001	0.001	0.000	0.000	0.000	0.000
294	A	431	MET	0	0.011	0.020	64.622	0.001	0.001	0.000	0.000	0.000	0.000
295	A	432	ILE	0	0.047	0.015	63.785	0.001	0.001	0.000	0.000	0.000	0.000
296	A	433	LEU	0	-0.020	-0.001	67.885	0.001	0.001	0.000	0.000	0.000	0.000
297	A	434	ALA	0	0.014	0.002	71.095	0.001	0.001	0.000	0.000	0.000	0.000
298	A	435	MET	0	-0.073	-0.014	64.688	0.000	0.000	0.000	0.000	0.000	0.000
299	A	436	ALA	0	-0.014	-0.011	69.147	0.001	0.001	0.000	0.000	0.000	0.000
300	A	437	THR	0	-0.102	-0.061	70.458	0.002	0.002	0.000	0.000	0.000	0.000
301	A	438	THR	0	-0.058	-0.021	71.598	0.000	0.000	0.000	0.000	0.000	0.000
302	A	439	ASP	-1	-0.856	-0.931	73.895	0.001	0.001	0.000	0.000	0.000	0.000
303	A	440	ASP	-1	-0.861	-0.894	69.038	-0.004	-0.004	0.000	0.000	0.000	0.000
304	A	441	GLU	-1	-0.831	-0.922	68.311	0.006	0.006	0.000	0.000	0.000	0.000
305	A	442	LEU	0	-0.018	0.000	62.114	0.001	0.001	0.000	0.000	0.000	0.000
306	A	443	GLN	0	0.075	0.000	64.846	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	444	GLN	0	-0.027	-0.015	66.446	0.001	0.001	0.000	0.000	0.000	0.000
308	A	445	ARG	1	0.835	0.893	58.534	-0.004	-0.004	0.000	0.000	0.000	0.000
309	A	446	VAL	0	-0.002	-0.001	60.457	0.000	0.000	0.000	0.000	0.000	0.000
310	A	447	ALA	0	0.033	0.036	62.244	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	448	CYS	0	-0.037	-0.027	64.467	0.000	0.000	0.000	0.000	0.000	0.000
312	A	449	GLU	-1	-0.818	-0.886	58.308	0.003	0.003	0.000	0.000	0.000	0.000
313	A	450	CYS	0	0.002	0.011	60.316	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	451	LEU	0	0.024	0.008	61.748	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	452	ILE	0	-0.032	-0.028	60.149	0.000	0.000	0.000	0.000	0.000	0.000
316	A	453	ALA	0	0.000	0.006	58.031	0.001	0.001	0.000	0.000	0.000	0.000
317	A	454	ALA	0	0.017	0.013	59.618	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	455	SER	0	-0.049	-0.025	62.163	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	456	SER	0	-0.017	0.003	57.726	0.002	0.002	0.000	0.000	0.000	0.000
320	A	457	LYS	1	0.887	0.952	59.408	0.015	0.015	0.000	0.000	0.000	0.000
321	A	458	LYS	1	1.006	0.989	61.146	0.002	0.002	0.000	0.000	0.000	0.000
322	A	459	ASP	-1	-0.852	-0.920	64.260	-0.012	-0.012	0.000	0.000	0.000	0.000
323	A	460	LYS	1	0.981	0.977	64.203	0.014	0.014	0.000	0.000	0.000	0.000
324	A	461	ALA	0	0.045	0.037	65.270	0.000	0.000	0.000	0.000	0.000	0.000
325	A	462	LYS	1	0.968	0.979	67.116	0.004	0.004	0.000	0.000	0.000	0.000
326	A	463	ALA	0	-0.001	0.003	69.154	0.000	0.000	0.000	0.000	0.000	0.000
327	A	464	LEU	0	-0.026	0.013	66.213	0.000	0.000	0.000	0.000	0.000	0.000
328	A	465	CYS	0	-0.062	-0.048	70.117	0.000	0.000	0.000	0.000	0.000	0.000
329	A	466	GLU	-1	-0.883	-0.940	72.272	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	467	GLN	0	-0.017	-0.004	73.753	0.000	0.000	0.000	0.000	0.000	0.000
331	A	468	GLY	0	0.042	0.007	71.247	0.000	0.000	0.000	0.000	0.000	0.000
332	A	469	VAL	0	-0.006	0.007	71.367	0.001	0.001	0.000	0.000	0.000	0.000
333	A	470	ASP	-1	-0.808	-0.895	72.903	0.001	0.001	0.000	0.000	0.000	0.000
334	A	471	ILE	0	-0.028	-0.019	72.194	0.001	0.001	0.000	0.000	0.000	0.000
335	A	472	LEU	0	0.017	0.016	67.561	0.001	0.001	0.000	0.000	0.000	0.000
336	A	473	LYS	1	0.902	0.934	71.349	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	474	ARG	1	0.938	0.982	74.204	0.002	0.002	0.000	0.000	0.000	0.000
338	A	475	LEU	0	0.065	0.036	69.325	0.001	0.001	0.000	0.000	0.000	0.000
339	A	476	TYR	0	-0.068	-0.027	69.924	0.001	0.001	0.000	0.000	0.000	0.000
340	A	477	HIS	0	-0.064	-0.056	71.825	0.002	0.002	0.000	0.000	0.000	0.000
341	A	478	SER	0	0.025	0.035	70.982	0.001	0.001	0.000	0.000	0.000	0.000
342	A	479	LYS	1	0.947	0.955	72.153	-0.011	-0.011	0.000	0.000	0.000	0.000
343	A	480	ASN	0	-0.020	-0.017	66.857	0.002	0.002	0.000	0.000	0.000	0.000
344	A	481	ASP	-1	-0.805	-0.888	65.459	0.017	0.017	0.000	0.000	0.000	0.000
345	A	482	GLY	0	0.004	0.003	63.464	0.000	0.000	0.000	0.000	0.000	0.000
346	A	483	ILE	0	0.014	0.021	64.114	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	484	ARG	1	0.826	0.914	66.720	-0.014	-0.014	0.000	0.000	0.000	0.000
348	A	485	VAL	0	-0.007	-0.005	62.548	0.000	0.000	0.000	0.000	0.000	0.000
349	A	486	ARG	1	0.794	0.879	58.593	-0.009	-0.009	0.000	0.000	0.000	0.000
350	A	487	ALA	0	0.043	0.022	63.973	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	488	LEU	0	-0.046	-0.036	65.788	0.000	0.000	0.000	0.000	0.000	0.000
352	A	489	VAL	0	0.029	0.016	60.472	0.000	0.000	0.000	0.000	0.000	0.000
353	A	490	GLY	0	0.007	0.008	63.864	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	491	LEU	0	-0.055	-0.027	65.409	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	492	CYS	0	-0.029	-0.017	64.474	0.000	0.000	0.000	0.000	0.000	0.000
356	A	493	LYS	1	0.859	0.939	58.909	0.000	0.000	0.000	0.000	0.000	0.000
357	A	494	LEU	0	-0.012	-0.007	63.989	0.000	0.000	0.000	0.000	0.000	0.000
358	A	495	GLY	0	-0.022	-0.014	67.022	0.000	0.000	0.000	0.000	0.000	0.000
359	A	496	SER	0	-0.056	-0.032	63.741	0.000	0.000	0.000	0.000	0.000	0.000
360	A	497	TYR	0	-0.096	-0.041	62.322	0.000	0.000	0.000	0.000	0.000	0.000
361	A	498	GLY	0	0.086	0.008	66.407	0.000	0.000	0.000	0.000	0.000	0.000
362	A	499	GLY	0	-0.032	-0.016	66.357	0.000	0.000	0.000	0.000	0.000	0.000
363	A	500	GLN	0	-0.033	-0.022	61.893	0.000	0.000	0.000	0.000	0.000	0.000
364	A	501	ASP	-1	-0.939	-0.963	67.277	0.001	0.001	0.000	0.000	0.000	0.000
365	A	502	ALA	0	0.056	0.041	69.991	0.000	0.000	0.000	0.000	0.000	0.000
366	A	503	ALA	0	-0.036	-0.015	70.443	0.001	0.001	0.000	0.000	0.000	0.000
367	A	504	ILE	0	-0.025	-0.009	71.527	0.001	0.001	0.000	0.000	0.000	0.000
368	A	505	ARG	1	0.898	0.946	64.574	-0.015	-0.015	0.000	0.000	0.000	0.000
369	A	506	PRO	0	0.030	0.017	67.046	0.000	0.000	0.000	0.000	0.000	0.000
370	A	507	PHE	0	-0.066	-0.029	66.129	0.001	0.001	0.000	0.000	0.000	0.000
371	A	508	GLY	0	0.097	0.050	71.747	0.001	0.001	0.000	0.000	0.000	0.000
372	A	509	ASP	-1	-0.895	-0.958	74.497	0.011	0.011	0.000	0.000	0.000	0.000
373	A	510	GLY	0	0.013	0.015	74.629	0.000	0.000	0.000	0.000	0.000	0.000
374	A	511	ALA	0	-0.060	-0.031	73.203	0.001	0.001	0.000	0.000	0.000	0.000
375	A	512	ALA	0	0.057	0.021	68.722	0.000	0.000	0.000	0.000	0.000	0.000
376	A	513	LEU	0	0.080	0.030	68.953	0.001	0.001	0.000	0.000	0.000	0.000
377	A	514	LYS	1	0.911	0.970	70.110	-0.015	-0.015	0.000	0.000	0.000	0.000
378	A	515	LEU	0	0.001	-0.014	68.256	0.000	0.000	0.000	0.000	0.000	0.000
379	A	516	ALA	0	0.076	0.045	65.836	0.000	0.000	0.000	0.000	0.000	0.000
380	A	517	GLU	-1	-0.732	-0.823	66.110	0.027	0.027	0.000	0.000	0.000	0.000
381	A	518	ALA	0	-0.087	-0.044	67.873	0.001	0.001	0.000	0.000	0.000	0.000
382	A	519	CYS	0	-0.041	-0.021	62.885	0.000	0.000	0.000	0.000	0.000	0.000
383	A	520	ARG	1	0.863	0.903	63.176	-0.028	-0.028	0.000	0.000	0.000	0.000
384	A	521	ARG	1	0.810	0.883	63.765	-0.021	-0.021	0.000	0.000	0.000	0.000
385	A	522	PHE	0	-0.054	-0.032	62.840	0.000	0.000	0.000	0.000	0.000	0.000
386	A	523	LEU	0	-0.005	0.010	57.152	0.000	0.000	0.000	0.000	0.000	0.000
387	A	524	ILE	0	0.014	0.010	59.698	0.002	0.002	0.000	0.000	0.000	0.000
388	A	525	LYS	1	0.798	0.901	61.915	-0.020	-0.020	0.000	0.000	0.000	0.000
389	A	526	PRO	0	0.058	0.029	61.347	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	527	GLY	0	-0.006	0.009	62.061	0.000	0.000	0.000	0.000	0.000	0.000
391	A	528	LYS	1	0.838	0.899	62.075	-0.023	-0.023	0.000	0.000	0.000	0.000
392	A	529	ASP	-1	-0.791	-0.868	57.070	0.034	0.034	0.000	0.000	0.000	0.000
393	A	530	LYS	1	0.830	0.911	57.027	-0.015	-0.015	0.000	0.000	0.000	0.000
394	A	531	ASP	-1	-0.718	-0.851	55.408	0.016	0.016	0.000	0.000	0.000	0.000
395	A	532	ILE	0	-0.010	-0.022	56.493	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	533	ARG	1	0.895	0.935	56.141	-0.035	-0.035	0.000	0.000	0.000	0.000
397	A	534	ARG	1	0.842	0.903	53.304	-0.012	-0.012	0.000	0.000	0.000	0.000
398	A	535	TRP	0	0.000	-0.001	55.830	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	536	ALA	0	-0.018	-0.006	59.185	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	537	ALA	0	0.033	0.004	55.879	0.000	0.000	0.000	0.000	0.000	0.000
401	A	538	ASP	-1	-0.789	-0.884	55.757	0.013	0.013	0.000	0.000	0.000	0.000
402	A	539	GLY	0	-0.024	-0.007	58.140	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	540	LEU	0	-0.005	-0.008	59.439	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	541	ALA	0	0.023	0.047	56.779	0.001	0.001	0.000	0.000	0.000	0.000
405	A	542	TYR	0	-0.033	-0.028	58.490	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	543	LEU	0	0.000	-0.017	61.691	0.000	0.000	0.000	0.000	0.000	0.000
407	A	544	THR	0	-0.041	-0.031	59.465	0.001	0.001	0.000	0.000	0.000	0.000
408	A	545	LEU	0	0.005	0.000	60.025	0.001	0.001	0.000	0.000	0.000	0.000
409	A	546	ASP	-1	-0.871	-0.936	62.672	0.020	0.020	0.000	0.000	0.000	0.000
410	A	547	ALA	0	0.026	0.014	65.116	0.001	0.001	0.000	0.000	0.000	0.000
411	A	548	GLU	-1	-0.873	-0.942	65.755	0.023	0.023	0.000	0.000	0.000	0.000
412	A	549	CYS	0	-0.109	-0.056	64.996	0.001	0.001	0.000	0.000	0.000	0.000
413	A	550	LYS	1	0.829	0.909	59.517	-0.025	-0.025	0.000	0.000	0.000	0.000
414	A	551	GLU	-1	-0.811	-0.895	62.349	0.037	0.037	0.000	0.000	0.000	0.000
415	A	552	LYS	1	0.824	0.900	64.517	-0.029	-0.029	0.000	0.000	0.000	0.000
416	A	553	LEU	0	-0.023	-0.012	58.996	0.001	0.001	0.000	0.000	0.000	0.000
417	A	554	ILE	0	0.006	0.007	56.845	0.002	0.002	0.000	0.000	0.000	0.000
418	A	555	GLU	-1	-0.829	-0.890	60.504	0.037	0.037	0.000	0.000	0.000	0.000
419	A	556	ASP	-1	-0.835	-0.886	62.515	0.037	0.037	0.000	0.000	0.000	0.000
420	A	557	LYS	1	0.932	0.945	58.436	-0.048	-0.048	0.000	0.000	0.000	0.000
421	A	558	ALA	0	0.015	0.015	58.229	0.001	0.001	0.000	0.000	0.000	0.000
422	A	559	SER	0	-0.020	-0.050	58.552	0.000	0.000	0.000	0.000	0.000	0.000
423	A	560	ILE	0	0.002	0.005	54.470	0.000	0.000	0.000	0.000	0.000	0.000
424	A	561	HIS	0	-0.025	-0.013	53.180	0.001	0.001	0.000	0.000	0.000	0.000
425	A	562	ALA	0	-0.032	0.000	53.530	0.001	0.001	0.000	0.000	0.000	0.000
426	A	563	LEU	0	-0.024	-0.019	53.767	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	564	MET	0	-0.016	0.003	49.878	0.000	0.000	0.000	0.000	0.000	0.000
428	A	565	ASP	-1	-0.874	-0.936	49.171	0.059	0.059	0.000	0.000	0.000	0.000
429	A	566	LEU	0	-0.069	-0.035	49.432	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	567	ALA	0	-0.036	-0.017	47.144	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	568	ARG	1	0.901	0.946	44.858	-0.066	-0.066	0.000	0.000	0.000	0.000
432	A	569	GLY	0	-0.006	0.008	44.374	0.003	0.003	0.000	0.000	0.000	0.000
433	A	570	GLY	0	-0.014	-0.008	43.404	-0.003	-0.003	0.000	0.000	0.000	0.000
434	A	571	ASN	0	0.002	0.014	44.272	-0.007	-0.007	0.000	0.000	0.000	0.000
435	A	572	GLN	0	0.083	0.024	42.607	0.002	0.002	0.000	0.000	0.000	0.000
436	A	573	SER	0	-0.036	-0.014	46.423	-0.002	-0.002	0.000	0.000	0.000	0.000
437	A	574	CYS	0	-0.071	-0.037	49.249	-0.001	-0.001	0.000	0.000	0.000	0.000
438	A	575	LEU	0	0.031	0.025	44.934	0.002	0.002	0.000	0.000	0.000	0.000
439	A	576	TYR	0	0.033	0.019	49.015	0.001	0.001	0.000	0.000	0.000	0.000
440	A	577	GLY	0	0.087	0.050	51.613	0.001	0.001	0.000	0.000	0.000	0.000
441	A	578	VAL	0	-0.004	0.008	50.978	0.001	0.001	0.000	0.000	0.000	0.000
442	A	579	VAL	0	0.029	0.014	47.447	0.002	0.002	0.000	0.000	0.000	0.000
443	A	580	THR	0	0.006	0.001	50.803	0.001	0.001	0.000	0.000	0.000	0.000
444	A	581	THR	0	-0.018	-0.007	53.648	0.000	0.000	0.000	0.000	0.000	0.000
445	A	582	PHE	0	0.032	-0.005	49.936	0.001	0.001	0.000	0.000	0.000	0.000
446	A	583	VAL	0	0.020	0.010	50.814	0.001	0.001	0.000	0.000	0.000	0.000
447	A	584	ASN	0	-0.064	-0.054	53.229	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	585	LEU	0	-0.009	0.011	55.852	0.000	0.000	0.000	0.000	0.000	0.000
449	A	586	CYS	0	-0.028	0.005	52.871	0.003	0.003	0.000	0.000	0.000	0.000
450	A	587	ASN	0	-0.009	0.002	55.047	0.001	0.001	0.000	0.000	0.000	0.000
451	A	588	ALA	0	0.047	0.024	51.355	0.000	0.000	0.000	0.000	0.000	0.000
452	A	589	TYR	0	-0.008	0.006	52.494	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	590	GLU	-1	-0.778	-0.861	52.009	0.016	0.016	0.000	0.000	0.000	0.000
454	A	591	LYS	1	0.932	0.977	54.660	-0.025	-0.025	0.000	0.000	0.000	0.000
455	A	592	GLN	0	0.006	-0.012	57.411	-0.002	-0.002	0.000	0.000	0.000	0.000
456	A	593	GLU	-1	-0.880	-0.925	54.027	0.007	0.007	0.000	0.000	0.000	0.000
457	A	594	MET	0	-0.027	-0.010	58.051	-0.002	-0.002	0.000	0.000	0.000	0.000
458	A	595	LEU	0	-0.007	-0.004	56.986	0.001	0.001	0.000	0.000	0.000	0.000
459	A	596	PRO	0	-0.015	-0.003	57.118	0.000	0.000	0.000	0.000	0.000	0.000
460	A	597	GLU	-1	-0.878	-0.948	59.212	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	598	MET	0	-0.054	-0.031	59.185	0.001	0.001	0.000	0.000	0.000	0.000
462	A	599	ILE	0	0.046	0.021	53.111	0.002	0.002	0.000	0.000	0.000	0.000
463	A	600	GLU	-1	-0.896	-0.954	53.599	-0.002	-0.002	0.000	0.000	0.000	0.000
464	A	601	LEU	0	0.002	0.005	55.022	0.001	0.001	0.000	0.000	0.000	0.000
465	A	602	ALA	0	-0.039	-0.011	54.717	0.002	0.002	0.000	0.000	0.000	0.000
466	A	603	LYS	1	0.805	0.911	49.778	-0.014	-0.014	0.000	0.000	0.000	0.000
467	A	604	PHE	0	0.068	0.044	54.703	0.003	0.003	0.000	0.000	0.000	0.000
468	A	605	ALA	0	0.026	0.017	56.514	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	606	LYS	1	0.829	0.926	56.363	-0.017	-0.017	0.000	0.000	0.000	0.000
470	A	607	GLN	0	0.062	0.011	56.961	0.003	0.003	0.000	0.000	0.000	0.000
471	A	608	HIS	0	-0.042	-0.029	57.429	0.001	0.001	0.000	0.000	0.000	0.000
472	A	609	ILE	0	-0.053	-0.020	51.400	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	610	PRO	0	-0.030	-0.019	55.616	0.001	0.001	0.000	0.000	0.000	0.000
474	A	611	GLU	-1	-0.848	-0.914	55.761	0.041	0.041	0.000	0.000	0.000	0.000
475	A	612	GLU	-1	-0.883	-0.929	51.492	0.037	0.037	0.000	0.000	0.000	0.000
476	A	613	HIS	0	-0.066	-0.043	55.342	-0.004	-0.004	0.000	0.000	0.000	0.000
477	A	614	GLU	-1	-0.913	-0.953	59.100	0.023	0.023	0.000	0.000	0.000	0.000
478	A	615	LEU	0	0.002	-0.037	62.125	0.001	0.001	0.000	0.000	0.000	0.000
479	A	616	ASP	-1	-0.917	-0.937	64.039	0.029	0.029	0.000	0.000	0.000	0.000
480	A	617	ASP	-1	-0.882	-0.965	62.068	0.031	0.031	0.000	0.000	0.000	0.000
481	A	618	VAL	0	-0.018	0.004	58.328	0.002	0.002	0.000	0.000	0.000	0.000
482	A	619	ASP	-1	-0.771	-0.881	59.519	0.048	0.048	0.000	0.000	0.000	0.000
483	A	620	PHE	0	-0.007	-0.001	60.495	0.002	0.002	0.000	0.000	0.000	0.000
484	A	621	ILE	0	-0.021	0.005	56.420	0.001	0.001	0.000	0.000	0.000	0.000
485	A	622	ASN	0	0.030	0.007	55.770	0.001	0.001	0.000	0.000	0.000	0.000
486	A	623	LYS	1	0.794	0.891	55.873	-0.044	-0.044	0.000	0.000	0.000	0.000
487	A	624	ARG	1	0.809	0.885	57.224	-0.033	-0.033	0.000	0.000	0.000	0.000
488	A	625	ILE	0	0.012	0.005	51.281	0.002	0.002	0.000	0.000	0.000	0.000
489	A	626	THR	0	0.003	-0.003	52.207	0.004	0.004	0.000	0.000	0.000	0.000
490	A	627	VAL	0	-0.079	-0.040	52.718	0.003	0.003	0.000	0.000	0.000	0.000
491	A	628	LEU	0	-0.016	-0.002	51.415	0.001	0.001	0.000	0.000	0.000	0.000
492	A	629	ALA	0	0.025	0.006	48.343	0.003	0.003	0.000	0.000	0.000	0.000
493	A	630	ASN	0	-0.022	-0.032	48.264	0.009	0.009	0.000	0.000	0.000	0.000
494	A	631	GLU	-1	-0.898	-0.915	50.269	0.065	0.065	0.000	0.000	0.000	0.000
495	A	632	GLY	0	0.005	-0.001	46.403	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	633	ILE	0	0.026	0.006	46.333	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	634	THR	0	-0.027	-0.020	41.215	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	635	THR	0	-0.006	-0.019	40.416	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	636	ALA	0	-0.036	-0.006	42.146	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	637	LEU	0	0.019	0.004	44.011	-0.005	-0.005	0.000	0.000	0.000	0.000
501	A	638	CYS	0	-0.055	-0.032	38.447	-0.003	-0.003	0.000	0.000	0.000	0.000
502	A	639	ALA	0	-0.036	-0.009	39.611	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	640	LEU	0	-0.002	0.003	41.076	-0.005	-0.005	0.000	0.000	0.000	0.000
504	A	641	ALA	0	-0.028	-0.010	38.984	-0.006	-0.006	0.000	0.000	0.000	0.000
505	A	642	LYS	1	0.853	0.919	37.552	-0.030	-0.030	0.000	0.000	0.000	0.000
506	A	643	THR	0	-0.002	0.013	38.406	-0.009	-0.009	0.000	0.000	0.000	0.000
507	A	644	GLU	-1	-0.755	-0.861	36.126	-0.003	-0.003	0.000	0.000	0.000	0.000
508	A	645	SER	0	-0.022	0.007	39.872	-0.004	-0.004	0.000	0.000	0.000	0.000
509	A	646	HIS	0	0.099	0.036	38.762	0.009	0.009	0.000	0.000	0.000	0.000
510	A	647	ASN	0	0.024	0.006	43.160	0.004	0.004	0.000	0.000	0.000	0.000
511	A	648	SER	0	-0.033	-0.022	44.576	0.003	0.003	0.000	0.000	0.000	0.000
512	A	649	GLN	0	-0.003	-0.010	38.684	0.004	0.004	0.000	0.000	0.000	0.000
513	A	650	GLU	-1	-0.802	-0.894	43.287	0.015	0.015	0.000	0.000	0.000	0.000
514	A	651	LEU	0	-0.028	-0.006	45.758	0.003	0.003	0.000	0.000	0.000	0.000
515	A	652	ILE	0	0.036	0.003	42.636	0.003	0.003	0.000	0.000	0.000	0.000
516	A	653	ALA	0	-0.005	-0.002	42.849	0.005	0.005	0.000	0.000	0.000	0.000
517	A	654	ARG	1	0.742	0.844	44.286	-0.016	-0.016	0.000	0.000	0.000	0.000
518	A	655	VAL	0	-0.012	-0.006	47.637	0.002	0.002	0.000	0.000	0.000	0.000
519	A	656	LEU	0	-0.001	-0.004	41.461	0.004	0.004	0.000	0.000	0.000	0.000
520	A	657	ASN	0	0.016	-0.005	45.321	0.009	0.009	0.000	0.000	0.000	0.000
521	A	658	ALA	0	0.020	0.008	46.086	0.002	0.002	0.000	0.000	0.000	0.000
522	A	659	VAL	0	-0.009	-0.003	46.532	0.002	0.002	0.000	0.000	0.000	0.000
523	A	660	CYS	0	-0.070	-0.029	43.601	0.005	0.005	0.000	0.000	0.000	0.000
524	A	661	GLY	0	0.042	0.027	46.031	0.003	0.003	0.000	0.000	0.000	0.000
525	A	662	LEU	0	-0.026	0.003	49.122	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	663	LYS	1	0.980	0.981	46.953	-0.068	-0.068	0.000	0.000	0.000	0.000
527	A	664	GLU	-1	-0.897	-0.963	46.494	0.077	0.077	0.000	0.000	0.000	0.000
528	A	665	LEU	0	-0.029	-0.013	47.085	0.005	0.005	0.000	0.000	0.000	0.000
529	A	666	ARG	1	0.860	0.926	42.597	-0.075	-0.075	0.000	0.000	0.000	0.000
530	A	667	GLY	0	0.027	0.009	41.468	0.005	0.005	0.000	0.000	0.000	0.000
531	A	668	LYS	1	0.925	0.958	41.014	-0.082	-0.082	0.000	0.000	0.000	0.000
532	A	669	VAL	0	0.046	0.028	40.498	0.004	0.004	0.000	0.000	0.000	0.000
533	A	670	VAL	0	-0.012	-0.012	35.972	0.003	0.003	0.000	0.000	0.000	0.000
534	A	671	GLN	0	-0.046	-0.018	36.912	0.006	0.006	0.000	0.000	0.000	0.000
535	A	672	GLU	-1	-0.831	-0.903	38.184	0.092	0.092	0.000	0.000	0.000	0.000
536	A	673	GLY	0	-0.008	0.003	35.593	-0.004	-0.004	0.000	0.000	0.000	0.000
537	A	674	GLY	0	0.029	0.012	36.484	-0.006	-0.006	0.000	0.000	0.000	0.000
538	A	675	VAL	0	-0.019	-0.014	33.240	-0.007	-0.007	0.000	0.000	0.000	0.000
539	A	676	LYS	1	0.952	0.974	29.678	-0.125	-0.125	0.000	0.000	0.000	0.000
540	A	677	ALA	0	0.004	0.007	33.307	-0.009	-0.009	0.000	0.000	0.000	0.000
541	A	678	LEU	0	0.050	0.015	36.379	-0.009	-0.009	0.000	0.000	0.000	0.000
542	A	679	LEU	0	0.014	0.008	30.036	-0.006	-0.006	0.000	0.000	0.000	0.000
543	A	680	ARG	1	0.825	0.900	33.280	-0.031	-0.031	0.000	0.000	0.000	0.000
544	A	681	MET	0	-0.045	-0.025	34.261	-0.010	-0.010	0.000	0.000	0.000	0.000
545	A	682	ALA	0	-0.002	0.004	36.000	-0.006	-0.006	0.000	0.000	0.000	0.000
546	A	683	LEU	0	-0.077	-0.036	30.917	-0.006	-0.006	0.000	0.000	0.000	0.000
547	A	684	GLU	-1	-0.893	-0.936	34.908	-0.035	-0.035	0.000	0.000	0.000	0.000
548	A	685	GLY	0	0.023	-0.010	36.840	0.007	0.007	0.000	0.000	0.000	0.000
549	A	686	THR	0	-0.008	0.010	40.603	-0.006	-0.006	0.000	0.000	0.000	0.000
550	A	687	GLU	-1	-0.812	-0.878	42.540	-0.009	-0.009	0.000	0.000	0.000	0.000
551	A	688	LYS	1	0.848	0.893	44.377	-0.003	-0.003	0.000	0.000	0.000	0.000
552	A	689	GLY	0	0.024	0.001	44.167	0.004	0.004	0.000	0.000	0.000	0.000
553	A	690	LYS	1	0.817	0.911	38.553	0.014	0.014	0.000	0.000	0.000	0.000
554	A	691	ARG	1	0.892	0.941	41.205	-0.008	-0.008	0.000	0.000	0.000	0.000
555	A	692	HIS	0	0.043	0.029	43.327	0.009	0.009	0.000	0.000	0.000	0.000
556	A	693	ALA	0	0.009	0.003	39.682	0.006	0.006	0.000	0.000	0.000	0.000
557	A	694	THR	0	-0.006	-0.028	38.334	0.008	0.008	0.000	0.000	0.000	0.000
558	A	695	GLN	0	0.015	0.016	40.009	0.005	0.005	0.000	0.000	0.000	0.000
559	A	696	ALA	0	0.017	0.013	41.765	0.005	0.005	0.000	0.000	0.000	0.000
560	A	697	LEU	0	-0.083	-0.036	35.565	0.009	0.009	0.000	0.000	0.000	0.000
561	A	698	ALA	0	0.022	0.004	39.052	0.008	0.008	0.000	0.000	0.000	0.000
562	A	699	ARG	1	0.756	0.851	40.556	-0.044	-0.044	0.000	0.000	0.000	0.000
563	A	700	ILE	0	-0.030	-0.029	37.692	0.006	0.006	0.000	0.000	0.000	0.000
564	A	701	GLY	0	-0.015	0.001	37.711	0.008	0.008	0.000	0.000	0.000	0.000
565	A	702	ILE	0	-0.024	0.005	38.600	0.006	0.006	0.000	0.000	0.000	0.000
566	A	703	THR	0	-0.067	-0.026	41.453	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	704	ILE	0	-0.018	0.006	36.776	0.005	0.005	0.000	0.000	0.000	0.000
568	A	705	ASN	0	0.033	0.021	35.565	-0.009	-0.009	0.000	0.000	0.000	0.000
569	A	706	PRO	0	0.069	0.027	33.185	0.009	0.009	0.000	0.000	0.000	0.000
570	A	707	GLU	-1	-0.840	-0.933	30.317	0.189	0.189	0.000	0.000	0.000	0.000
571	A	708	VAL	0	-0.066	-0.032	30.087	0.023	0.023	0.000	0.000	0.000	0.000
572	A	709	SER	0	-0.036	-0.030	31.898	0.005	0.005	0.000	0.000	0.000	0.000
573	A	710	PHE	0	0.008	-0.010	31.105	-0.009	-0.009	0.000	0.000	0.000	0.000
574	A	711	SER	0	0.019	0.060	26.609	0.003	0.003	0.000	0.000	0.000	0.000
575	A	712	GLY	0	0.057	-0.007	24.340	-0.003	-0.003	0.000	0.000	0.000	0.000
576	A	713	GLN	0	-0.033	-0.036	22.368	0.009	0.009	0.000	0.000	0.000	0.000
577	A	714	ARG	1	0.887	0.934	24.554	-0.203	-0.203	0.000	0.000	0.000	0.000
578	A	715	SER	0	0.001	0.017	26.925	-0.017	-0.017	0.000	0.000	0.000	0.000
579	A	716	LEU	0	-0.049	-0.027	23.334	-0.016	-0.016	0.000	0.000	0.000	0.000
580	A	717	ASP	-1	-0.855	-0.931	26.324	0.053	0.053	0.000	0.000	0.000	0.000
581	A	718	VAL	0	0.011	0.002	28.853	-0.015	-0.015	0.000	0.000	0.000	0.000
582	A	719	ILE	0	-0.004	0.009	30.529	-0.007	-0.007	0.000	0.000	0.000	0.000
583	A	720	ARG	1	0.855	0.909	31.476	0.024	0.024	0.000	0.000	0.000	0.000
584	A	721	PRO	0	0.025	0.004	33.542	-0.004	-0.004	0.000	0.000	0.000	0.000
585	A	722	LEU	0	0.049	0.028	35.319	-0.002	-0.002	0.000	0.000	0.000	0.000
586	A	723	LEU	0	-0.022	-0.001	34.676	-0.003	-0.003	0.000	0.000	0.000	0.000
587	A	724	ASN	0	-0.054	-0.031	38.345	-0.006	-0.006	0.000	0.000	0.000	0.000
588	A	725	LEU	0	-0.028	-0.006	40.414	-0.002	-0.002	0.000	0.000	0.000	0.000
589	A	726	LEU	0	-0.039	-0.005	40.200	0.001	0.001	0.000	0.000	0.000	0.000
590	A	727	GLN	0	-0.014	0.007	43.267	-0.003	-0.003	0.000	0.000	0.000	0.000
591	A	728	GLN	0	0.034	-0.011	45.398	0.002	0.002	0.000	0.000	0.000	0.000
592	A	729	ASP	-1	-0.866	-0.914	47.785	0.002	0.002	0.000	0.000	0.000	0.000
593	A	730	CYS	0	-0.079	-0.017	46.265	0.000	0.000	0.000	0.000	0.000	0.000
594	A	731	THR	0	-0.026	-0.052	48.834	0.001	0.001	0.000	0.000	0.000	0.000
595	A	732	ALA	0	0.054	0.017	49.449	0.002	0.002	0.000	0.000	0.000	0.000
596	A	733	LEU	0	0.035	0.022	49.388	0.003	0.003	0.000	0.000	0.000	0.000
597	A	734	GLU	-1	-0.741	-0.825	46.040	0.026	0.026	0.000	0.000	0.000	0.000
598	A	735	ASN	0	0.003	-0.007	45.159	0.002	0.002	0.000	0.000	0.000	0.000
599	A	736	PHE	0	0.046	0.017	45.135	0.004	0.004	0.000	0.000	0.000	0.000
600	A	737	GLU	-1	-0.809	-0.908	44.491	0.057	0.057	0.000	0.000	0.000	0.000
601	A	738	SER	0	0.000	-0.009	40.684	0.008	0.008	0.000	0.000	0.000	0.000
602	A	739	LEU	0	0.010	0.012	40.671	0.006	0.006	0.000	0.000	0.000	0.000
603	A	740	MET	0	-0.006	0.017	41.232	0.006	0.006	0.000	0.000	0.000	0.000
604	A	741	ALA	0	0.019	0.020	38.376	0.008	0.008	0.000	0.000	0.000	0.000
605	A	742	LEU	0	-0.006	-0.019	35.645	0.010	0.010	0.000	0.000	0.000	0.000
606	A	743	THR	0	0.011	-0.011	36.459	0.005	0.005	0.000	0.000	0.000	0.000
607	A	744	ASN	0	-0.011	-0.009	37.175	0.008	0.008	0.000	0.000	0.000	0.000
608	A	745	LEU	0	-0.031	-0.010	32.224	0.014	0.014	0.000	0.000	0.000	0.000
609	A	746	ALA	0	-0.026	-0.014	32.272	0.012	0.012	0.000	0.000	0.000	0.000
610	A	747	SER	0	-0.034	-0.035	33.243	0.007	0.007	0.000	0.000	0.000	0.000
611	A	748	MET	0	-0.063	0.008	29.311	0.018	0.018	0.000	0.000	0.000	0.000
612	A	749	ASN	0	0.030	0.001	25.707	0.000	0.000	0.000	0.000	0.000	0.000
613	A	750	GLU	-1	-0.719	-0.831	25.426	0.098	0.098	0.000	0.000	0.000	0.000
614	A	751	SER	0	-0.057	-0.033	22.648	-0.033	-0.033	0.000	0.000	0.000	0.000
615	A	752	VAL	0	0.022	-0.003	25.101	-0.023	-0.023	0.000	0.000	0.000	0.000
616	A	753	ARG	1	0.917	0.966	28.233	-0.158	-0.158	0.000	0.000	0.000	0.000
617	A	754	GLN	0	0.019	0.018	24.758	-0.036	-0.036	0.000	0.000	0.000	0.000
618	A	755	ARG	1	0.766	0.884	25.471	-0.063	-0.063	0.000	0.000	0.000	0.000
619	A	756	ILE	0	0.059	0.020	28.286	-0.015	-0.015	0.000	0.000	0.000	0.000
620	A	757	ILE	0	-0.004	0.003	30.017	-0.012	-0.012	0.000	0.000	0.000	0.000
621	A	758	LYS	1	0.862	0.924	24.463	-0.015	-0.015	0.000	0.000	0.000	0.000
622	A	759	GLU	-1	-0.853	-0.906	30.040	-0.018	-0.018	0.000	0.000	0.000	0.000
623	A	760	GLN	0	-0.035	-0.029	32.632	0.003	0.003	0.000	0.000	0.000	0.000
624	A	761	GLY	0	0.050	0.024	34.762	0.001	0.001	0.000	0.000	0.000	0.000
625	A	762	VAL	0	0.000	0.002	35.299	0.004	0.004	0.000	0.000	0.000	0.000
626	A	763	SER	0	0.048	0.017	37.917	0.003	0.003	0.000	0.000	0.000	0.000
627	A	764	LYS	1	0.856	0.936	36.410	0.002	0.002	0.000	0.000	0.000	0.000
628	A	765	ILE	0	0.007	-0.005	37.870	0.002	0.002	0.000	0.000	0.000	0.000
629	A	766	GLU	-1	-0.808	-0.900	41.710	0.015	0.015	0.000	0.000	0.000	0.000
630	A	767	TYR	0	-0.067	-0.030	43.807	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	768	TYR	0	-0.023	-0.054	45.044	0.000	0.000	0.000	0.000	0.000	0.000
632	A	769	LEU	0	-0.048	-0.019	44.666	0.002	0.002	0.000	0.000	0.000	0.000
633	A	770	MET	0	-0.018	-0.003	48.698	0.000	0.000	0.000	0.000	0.000	0.000
634	A	771	GLU	-1	-0.871	-0.913	50.952	0.013	0.013	0.000	0.000	0.000	0.000
635	A	772	ASP	-1	-0.908	-0.952	53.029	0.028	0.028	0.000	0.000	0.000	0.000
636	A	773	HIS	0	-0.037	-0.010	52.319	0.003	0.003	0.000	0.000	0.000	0.000
637	A	774	LEU	0	0.056	0.034	52.770	0.002	0.002	0.000	0.000	0.000	0.000
638	A	775	TYR	0	-0.053	-0.031	51.045	0.004	0.004	0.000	0.000	0.000	0.000
639	A	776	LEU	0	-0.056	-0.037	48.163	0.003	0.003	0.000	0.000	0.000	0.000
640	A	777	THR	0	0.065	0.036	47.789	0.002	0.002	0.000	0.000	0.000	0.000
641	A	778	ARG	1	0.822	0.904	48.108	-0.053	-0.053	0.000	0.000	0.000	0.000
642	A	779	ALA	0	-0.004	-0.005	45.062	0.004	0.004	0.000	0.000	0.000	0.000
643	A	780	ALA	0	-0.005	-0.001	43.659	0.004	0.004	0.000	0.000	0.000	0.000
644	A	781	ALA	0	0.024	0.017	43.277	0.002	0.002	0.000	0.000	0.000	0.000
645	A	782	GLN	0	-0.018	-0.046	43.333	0.003	0.003	0.000	0.000	0.000	0.000
646	A	783	CYS	0	-0.078	0.000	38.917	0.006	0.006	0.000	0.000	0.000	0.000
647	A	784	LEU	0	0.010	-0.001	38.920	0.005	0.005	0.000	0.000	0.000	0.000
648	A	785	CYS	0	-0.056	-0.032	39.298	0.001	0.001	0.000	0.000	0.000	0.000
649	A	786	ASN	0	-0.038	-0.015	36.012	0.008	0.008	0.000	0.000	0.000	0.000
650	A	787	LEU	0	-0.013	-0.019	34.186	0.007	0.007	0.000	0.000	0.000	0.000
651	A	788	VAL	0	-0.036	0.001	34.468	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	789	MET	0	-0.020	-0.013	32.755	0.007	0.007	0.000	0.000	0.000	0.000
653	A	790	SER	0	-0.068	-0.049	29.338	0.003	0.003	0.000	0.000	0.000	0.000
654	A	791	GLU	-1	-0.811	-0.917	28.066	0.046	0.046	0.000	0.000	0.000	0.000
655	A	792	ASP	-1	-0.850	-0.919	28.024	0.001	0.001	0.000	0.000	0.000	0.000
656	A	793	VAL	0	-0.005	-0.003	31.318	-0.012	-0.012	0.000	0.000	0.000	0.000
657	A	794	ILE	0	0.037	0.036	34.515	-0.008	-0.008	0.000	0.000	0.000	0.000
658	A	795	LYS	1	0.825	0.889	29.624	-0.024	-0.024	0.000	0.000	0.000	0.000
659	A	796	MET	0	-0.061	-0.030	33.834	-0.008	-0.008	0.000	0.000	0.000	0.000
660	A	797	PHE	0	0.009	-0.005	37.657	-0.004	-0.004	0.000	0.000	0.000	0.000
661	A	798	GLU	-1	-0.808	-0.855	37.565	0.012	0.012	0.000	0.000	0.000	0.000
662	A	799	GLY	0	-0.034	0.001	39.989	-0.004	-0.004	0.000	0.000	0.000	0.000
663	A	800	ASN	0	-0.017	-0.025	41.116	0.005	0.005	0.000	0.000	0.000	0.000
664	A	801	ASN	0	-0.015	-0.011	41.713	0.001	0.001	0.000	0.000	0.000	0.000
665	A	802	ASP	-1	-0.778	-0.876	45.876	0.004	0.004	0.000	0.000	0.000	0.000
666	A	803	ARG	1	0.818	0.908	39.897	-0.003	-0.003	0.000	0.000	0.000	0.000
667	A	804	VAL	0	0.004	-0.004	44.006	0.004	0.004	0.000	0.000	0.000	0.000
668	A	805	LYS	1	0.879	0.927	46.219	-0.003	-0.003	0.000	0.000	0.000	0.000
669	A	806	PHE	0	0.046	0.001	48.655	0.002	0.002	0.000	0.000	0.000	0.000
670	A	807	LEU	0	0.001	0.020	43.623	0.002	0.002	0.000	0.000	0.000	0.000
671	A	808	ALA	0	0.031	0.000	47.768	0.004	0.004	0.000	0.000	0.000	0.000
672	A	809	LEU	0	-0.011	-0.006	50.232	0.001	0.001	0.000	0.000	0.000	0.000
673	A	810	LEU	0	0.018	0.001	49.655	0.001	0.001	0.000	0.000	0.000	0.000
674	A	811	CYS	0	-0.115	-0.051	49.941	0.004	0.004	0.000	0.000	0.000	0.000
675	A	812	GLU	-1	-0.919	-0.957	52.179	0.033	0.033	0.000	0.000	0.000	0.000
676	A	813	ASP	-1	-0.884	-0.932	53.572	0.037	0.037	0.000	0.000	0.000	0.000
677	A	814	GLU	-1	-0.920	-0.970	55.514	0.034	0.034	0.000	0.000	0.000	0.000
678	A	815	ASP	-1	-0.795	-0.835	52.910	0.054	0.054	0.000	0.000	0.000	0.000
679	A	816	GLU	-1	-0.820	-0.879	53.192	0.063	0.063	0.000	0.000	0.000	0.000
680	A	817	GLU	-1	-0.882	-0.943	49.370	0.070	0.070	0.000	0.000	0.000	0.000
681	A	818	THR	0	0.016	-0.017	49.119	0.003	0.003	0.000	0.000	0.000	0.000
682	A	819	ALA	0	0.061	0.047	49.318	0.001	0.001	0.000	0.000	0.000	0.000
683	A	820	THR	0	-0.111	-0.077	47.561	0.003	0.003	0.000	0.000	0.000	0.000
684	A	821	ALA	0	-0.050	-0.020	44.902	0.004	0.004	0.000	0.000	0.000	0.000
685	A	822	CYS	0	-0.001	0.014	44.847	0.001	0.001	0.000	0.000	0.000	0.000
686	A	823	ALA	0	0.081	0.037	46.031	0.000	0.000	0.000	0.000	0.000	0.000
687	A	824	GLY	0	-0.029	-0.023	44.562	0.003	0.003	0.000	0.000	0.000	0.000
688	A	825	ALA	0	0.039	0.006	41.529	0.003	0.003	0.000	0.000	0.000	0.000
689	A	826	LEU	0	0.007	-0.004	41.802	0.000	0.000	0.000	0.000	0.000	0.000
690	A	827	ALA	0	0.006	0.014	43.903	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	828	ILE	0	-0.011	-0.010	37.403	0.002	0.002	0.000	0.000	0.000	0.000
692	A	829	ILE	0	0.021	0.021	39.206	0.001	0.001	0.000	0.000	0.000	0.000
693	A	830	THR	0	-0.027	-0.027	40.012	0.001	0.001	0.000	0.000	0.000	0.000
694	A	831	SER	0	-0.077	-0.042	39.161	0.002	0.002	0.000	0.000	0.000	0.000
695	A	832	VAL	0	-0.027	-0.026	35.205	0.004	0.004	0.000	0.000	0.000	0.000
696	A	833	SER	0	-0.035	-0.032	37.229	-0.006	-0.006	0.000	0.000	0.000	0.000
697	A	834	VAL	0	0.082	0.025	39.488	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	835	LYS	1	0.879	0.926	38.106	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	836	CYS	0	-0.048	-0.027	40.622	-0.004	-0.004	0.000	0.000	0.000	0.000
700	A	837	CYS	0	-0.029	-0.005	43.536	0.001	0.001	0.000	0.000	0.000	0.000
701	A	838	GLU	-1	-0.906	-0.956	45.311	0.010	0.010	0.000	0.000	0.000	0.000
702	A	839	LYS	1	0.812	0.903	43.486	-0.004	-0.004	0.000	0.000	0.000	0.000
703	A	840	ILE	0	0.003	-0.003	46.780	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	841	LEU	0	0.024	0.021	49.916	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	842	ALA	0	-0.063	-0.021	50.830	-0.002	-0.002	0.000	0.000	0.000	0.000
706	A	843	ILE	0	-0.069	-0.014	50.202	-0.003	-0.003	0.000	0.000	0.000	0.000
707	A	844	ALA	0	-0.015	-0.022	54.025	0.001	0.001	0.000	0.000	0.000	0.000
708	A	845	SER	0	-0.008	0.001	57.663	0.001	0.001	0.000	0.000	0.000	0.000
709	A	846	TRP	0	0.063	0.032	54.274	0.003	0.003	0.000	0.000	0.000	0.000
710	A	847	LEU	0	-0.024	-0.012	56.080	0.002	0.002	0.000	0.000	0.000	0.000
711	A	848	ASP	-1	-0.879	-0.937	58.410	0.026	0.026	0.000	0.000	0.000	0.000
712	A	849	ILE	0	0.020	0.018	53.550	0.002	0.002	0.000	0.000	0.000	0.000
713	A	850	LEU	0	-0.046	-0.039	52.245	0.003	0.003	0.000	0.000	0.000	0.000
714	A	851	HIS	0	-0.044	-0.037	55.938	0.003	0.003	0.000	0.000	0.000	0.000
715	A	852	THR	0	-0.011	-0.010	57.332	0.003	0.003	0.000	0.000	0.000	0.000
716	A	853	LEU	0	-0.052	-0.022	51.743	0.003	0.003	0.000	0.000	0.000	0.000
717	A	854	ILE	0	0.005	-0.001	55.577	0.004	0.004	0.000	0.000	0.000	0.000
718	A	855	ALA	0	-0.026	-0.004	57.109	0.003	0.003	0.000	0.000	0.000	0.000
719	A	856	ASN	0	0.032	0.027	56.246	0.001	0.001	0.000	0.000	0.000	0.000
720	A	857	PRO	0	0.049	0.007	58.344	0.003	0.003	0.000	0.000	0.000	0.000
721	A	858	SER	0	0.008	-0.016	54.393	0.003	0.003	0.000	0.000	0.000	0.000
722	A	859	PRO	0	-0.010	-0.019	54.623	0.001	0.001	0.000	0.000	0.000	0.000
723	A	860	ALA	0	-0.029	-0.014	50.277	0.003	0.003	0.000	0.000	0.000	0.000
724	A	861	VAL	0	0.066	0.041	50.579	0.003	0.003	0.000	0.000	0.000	0.000
725	A	862	GLN	0	0.073	0.042	51.609	0.003	0.003	0.000	0.000	0.000	0.000
726	A	863	HIS	0	-0.040	-0.020	46.447	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	864	ARG	1	0.866	0.928	45.649	-0.081	-0.081	0.000	0.000	0.000	0.000
728	A	865	GLY	0	0.041	0.017	48.272	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	866	ILE	0	0.000	-0.006	50.893	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	867	VAL	0	-0.026	-0.018	44.837	0.001	0.001	0.000	0.000	0.000	0.000
731	A	868	ILE	0	-0.004	0.016	46.460	0.000	0.000	0.000	0.000	0.000	0.000
732	A	869	ILE	0	0.026	0.012	47.700	-0.002	-0.002	0.000	0.000	0.000	0.000
733	A	870	LEU	0	0.035	0.011	46.365	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	871	ASN	0	-0.064	-0.031	43.478	0.003	0.003	0.000	0.000	0.000	0.000
735	A	872	MET	0	-0.013	0.002	45.303	-0.003	-0.003	0.000	0.000	0.000	0.000
736	A	873	ILE	0	0.003	0.012	47.706	-0.002	-0.002	0.000	0.000	0.000	0.000
737	A	874	ASN	0	-0.063	-0.053	44.332	0.000	0.000	0.000	0.000	0.000	0.000
738	A	875	ALA	0	0.003	0.026	43.948	0.001	0.001	0.000	0.000	0.000	0.000
739	A	876	GLY	0	0.037	0.006	44.622	-0.003	-0.003	0.000	0.000	0.000	0.000
740	A	877	GLU	-1	-0.882	-0.942	47.076	0.026	0.026	0.000	0.000	0.000	0.000
741	A	878	GLU	-1	-0.854	-0.934	50.155	0.017	0.017	0.000	0.000	0.000	0.000
742	A	879	ILE	0	0.008	0.021	46.727	-0.002	-0.002	0.000	0.000	0.000	0.000
743	A	880	ALA	0	0.002	-0.006	50.661	0.000	0.000	0.000	0.000	0.000	0.000
744	A	881	LYS	1	0.814	0.903	52.362	-0.023	-0.023	0.000	0.000	0.000	0.000
745	A	882	LYS	1	0.861	0.941	54.337	-0.018	-0.018	0.000	0.000	0.000	0.000
746	A	883	LEU	0	0.021	0.008	52.203	0.000	0.000	0.000	0.000	0.000	0.000
747	A	884	PHE	0	-0.044	-0.031	53.153	0.001	0.001	0.000	0.000	0.000	0.000
748	A	885	GLU	-1	-0.942	-0.961	58.302	0.019	0.019	0.000	0.000	0.000	0.000
749	A	886	THR	0	-0.062	-0.026	59.153	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	887	ASP	-1	-0.799	-0.897	61.531	0.032	0.032	0.000	0.000	0.000	0.000
751	A	888	ILE	0	0.033	0.022	56.096	0.003	0.003	0.000	0.000	0.000	0.000
752	A	889	MET	0	-0.024	-0.016	55.124	0.003	0.003	0.000	0.000	0.000	0.000
753	A	890	GLU	-1	-0.951	-0.961	59.279	0.036	0.036	0.000	0.000	0.000	0.000
754	A	891	LEU	0	0.037	0.021	60.710	0.002	0.002	0.000	0.000	0.000	0.000
755	A	892	LEU	0	-0.011	-0.012	54.933	0.002	0.002	0.000	0.000	0.000	0.000
756	A	893	SER	0	-0.096	-0.057	58.559	0.003	0.003	0.000	0.000	0.000	0.000
757	A	894	GLY	0	0.013	0.011	60.600	0.001	0.001	0.000	0.000	0.000	0.000
758	A	895	LEU	0	-0.090	-0.038	57.588	0.001	0.001	0.000	0.000	0.000	0.000
759	A	896	GLY	0	0.042	0.020	57.760	0.003	0.003	0.000	0.000	0.000	0.000
760	A	897	GLN	0	-0.034	-0.048	52.490	-0.001	-0.001	0.000	0.000	0.000	0.000
761	A	898	LEU	0	-0.019	-0.019	56.509	-0.002	-0.002	0.000	0.000	0.000	0.000
762	A	899	PRO	0	-0.014	-0.015	54.486	0.000	0.000	0.000	0.000	0.000	0.000
763	A	900	ASP	-1	-0.912	-0.952	55.116	0.086	0.086	0.000	0.000	0.000	0.000
764	A	901	ASP	-1	-0.814	-0.880	57.457	0.064	0.064	0.000	0.000	0.000	0.000
765	A	902	THR	0	-0.011	-0.020	56.274	0.003	0.003	0.000	0.000	0.000	0.000
766	A	903	ARG	1	0.800	0.882	55.312	-0.056	-0.056	0.000	0.000	0.000	0.000
767	A	904	ALA	0	-0.015	0.017	53.446	0.000	0.000	0.000	0.000	0.000	0.000
768	A	905	LYS	1	0.948	0.959	46.382	-0.106	-0.106	0.000	0.000	0.000	0.000
769	A	906	ALA	0	0.071	0.035	51.154	0.001	0.001	0.000	0.000	0.000	0.000
770	A	907	ARG	1	0.850	0.914	53.024	-0.065	-0.065	0.000	0.000	0.000	0.000
771	A	908	GLU	-1	-0.877	-0.882	49.241	0.087	0.087	0.000	0.000	0.000	0.000
772	A	909	VAL	0	0.002	-0.010	47.965	0.000	0.000	0.000	0.000	0.000	0.000
773	A	910	ALA	0	0.053	0.029	50.398	-0.002	-0.002	0.000	0.000	0.000	0.000
774	A	911	THR	0	-0.003	-0.004	53.232	-0.003	-0.003	0.000	0.000	0.000	0.000
775	A	912	GLN	0	-0.089	-0.072	47.051	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	913	CYS	0	-0.048	-0.006	50.525	-0.001	-0.001	0.000	0.000	0.000	0.000
777	A	914	LEU	0	0.018	0.010	52.177	-0.003	-0.003	0.000	0.000	0.000	0.000
778	A	915	ALA	0	-0.010	-0.006	51.371	-0.002	-0.002	0.000	0.000	0.000	0.000
779	A	916	ALA	0	-0.042	-0.018	49.296	-0.001	-0.001	0.000	0.000	0.000	0.000
780	A	917	ALA	0	0.012	-0.001	50.817	-0.002	-0.002	0.000	0.000	0.000	0.000
781	A	918	GLU	-1	-0.817	-0.861	53.851	0.044	0.044	0.000	0.000	0.000	0.000
782	A	919	ARG	1	0.865	0.919	45.788	-0.073	-0.073	0.000	0.000	0.000	0.000
783	A	920	TYR	0	-0.035	-0.038	48.338	-0.002	-0.002	0.000	0.000	0.000	0.000
784	A	921	ARG	1	0.856	0.910	52.883	-0.045	-0.045	0.000	0.000	0.000	0.000
785	A	922	ILE	0	-0.106	-0.042	53.595	-0.002	-0.002	0.000	0.000	0.000	0.000
786	A	923	ILE	0	-0.038	-0.005	50.233	-0.001	-0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:138:ASN)