FMO DATABASE

FMODB ID: 723JK

Calculation Name: 3G06-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3G06

Chain ID: A

ChEMBL ID:

UniProt ID: P0CE12

Base Structure: X-ray

Registration Date: 2023-06-21

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	605
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-11552321.149027
FMO2-HF: Nuclear repulsion	11318666.614059
FMO2-HF: Total energy	-233654.534968
FMO2-MP2: Total energy	-234338.553583

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:171:ALA)

Summations of interaction energy for fragment #1(A:171:ALA)

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.
-15.572	-9.989	1.686	-3.08	-4.189	0.022

Interaction energy analysis for fragmet #1(A:171:ALA)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.009 / q_NPA : -0.014

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	173	TRP	0	0.015	-0.021	2.922	-0.064	2.418	0.235	-1.151	-1.567	0.005
4	A	174	SER	0	-0.026	-0.009	2.509	-9.579	-6.748	1.450	-1.859	-2.422	0.017
5	A	175	ALA	0	-0.031	-0.018	3.815	-1.302	-1.079	0.002	-0.067	-0.157	0.000
6	A	176	TRP	0	0.063	0.038	5.829	0.154	0.154	0.000	0.000	0.000	0.000
7	A	177	ARG	1	0.908	0.949	7.407	-1.410	-1.410	0.000	0.000	0.000	0.000
8	A	178	ARG	1	0.868	0.913	4.870	-0.864	-0.864	0.000	0.000	0.000	0.000
9	A	179	ALA	0	0.003	0.026	9.946	-0.133	-0.133	0.000	0.000	0.000	0.000
10	A	180	ALA	0	-0.019	-0.009	11.937	-0.065	-0.065	0.000	0.000	0.000	0.000
11	A	181	PRO	0	0.082	0.061	14.279	-0.027	-0.027	0.000	0.000	0.000	0.000
12	A	182	ALA	0	-0.001	-0.006	17.657	0.047	0.047	0.000	0.000	0.000	0.000
13	A	183	GLU	-1	-0.924	-0.972	18.927	0.251	0.251	0.000	0.000	0.000	0.000
14	A	184	GLU	-1	-0.678	-0.785	16.413	0.404	0.404	0.000	0.000	0.000	0.000
15	A	185	SER	0	-0.050	-0.011	14.488	0.140	0.140	0.000	0.000	0.000	0.000
16	A	186	ARG	1	0.977	0.964	14.207	-0.239	-0.239	0.000	0.000	0.000	0.000
17	A	187	GLY	0	0.082	0.056	15.457	0.060	0.060	0.000	0.000	0.000	0.000
18	A	188	ARG	1	0.874	0.918	11.391	-0.486	-0.486	0.000	0.000	0.000	0.000
19	A	189	ALA	0	-0.074	-0.039	10.972	0.264	0.264	0.000	0.000	0.000	0.000
20	A	190	ALA	0	0.032	0.015	11.759	0.116	0.116	0.000	0.000	0.000	0.000
21	A	191	VAL	0	0.026	0.023	11.175	0.002	0.002	0.000	0.000	0.000	0.000
22	A	192	VAL	0	-0.012	-0.025	6.606	0.151	0.151	0.000	0.000	0.000	0.000
23	A	193	GLN	0	-0.059	-0.024	9.235	-0.023	-0.023	0.000	0.000	0.000	0.000
24	A	194	LYS	1	0.905	0.948	11.652	-0.541	-0.541	0.000	0.000	0.000	0.000
25	A	195	MET	0	-0.006	0.024	7.578	-0.186	-0.186	0.000	0.000	0.000	0.000
26	A	196	ARG	1	0.932	0.953	4.521	-2.425	-2.378	-0.001	-0.003	-0.043	0.000
27	A	197	ALA	0	-0.020	0.002	9.530	-0.176	-0.176	0.000	0.000	0.000	0.000
28	A	198	CYS	0	-0.027	0.001	12.277	-0.059	-0.059	0.000	0.000	0.000	0.000
29	A	199	LEU	0	-0.025	-0.017	7.145	-0.071	-0.071	0.000	0.000	0.000	0.000
30	A	200	ASN	0	-0.055	-0.028	10.440	-0.119	-0.119	0.000	0.000	0.000	0.000
31	A	201	ASN	0	-0.017	-0.011	13.168	-0.040	-0.040	0.000	0.000	0.000	0.000
32	A	202	GLY	0	0.034	0.031	15.419	-0.024	-0.024	0.000	0.000	0.000	0.000
33	A	203	ASN	0	-0.024	-0.018	16.900	-0.044	-0.044	0.000	0.000	0.000	0.000
34	A	204	ALA	0	0.029	0.026	16.387	0.021	0.021	0.000	0.000	0.000	0.000
35	A	205	VAL	0	0.059	0.044	18.394	-0.011	-0.011	0.000	0.000	0.000	0.000
36	A	206	LEU	0	0.002	-0.007	12.764	0.050	0.050	0.000	0.000	0.000	0.000
37	A	207	ASN	0	0.077	0.050	16.776	-0.006	-0.006	0.000	0.000	0.000	0.000
38	A	208	VAL	0	-0.019	-0.021	14.561	0.054	0.054	0.000	0.000	0.000	0.000
39	A	209	GLY	0	-0.022	-0.018	16.776	0.046	0.046	0.000	0.000	0.000	0.000
40	A	210	GLU	-1	-0.893	-0.925	19.887	0.201	0.201	0.000	0.000	0.000	0.000
41	A	211	SER	0	-0.069	-0.044	18.007	0.019	0.019	0.000	0.000	0.000	0.000
42	A	212	GLY	0	0.033	0.021	19.649	0.025	0.025	0.000	0.000	0.000	0.000
43	A	213	LEU	0	-0.063	-0.031	15.061	0.021	0.021	0.000	0.000	0.000	0.000
44	A	214	THR	0	0.043	-0.013	17.668	-0.041	-0.041	0.000	0.000	0.000	0.000
45	A	215	THR	0	-0.062	-0.031	14.487	-0.021	-0.021	0.000	0.000	0.000	0.000
46	A	216	LEU	0	0.027	0.011	13.110	0.084	0.084	0.000	0.000	0.000	0.000
47	A	217	PRO	0	-0.045	-0.030	7.842	-0.026	-0.026	0.000	0.000	0.000	0.000
48	A	218	ASP	-1	-0.837	-0.931	9.227	-0.302	-0.302	0.000	0.000	0.000	0.000
49	A	219	CYS	0	-0.102	-0.037	6.952	-0.232	-0.232	0.000	0.000	0.000	0.000
50	A	220	LEU	0	0.082	0.045	8.482	0.279	0.279	0.000	0.000	0.000	0.000
51	A	221	PRO	0	-0.026	-0.028	9.734	-0.122	-0.122	0.000	0.000	0.000	0.000
52	A	222	ALA	0	0.035	0.005	10.598	0.000	0.000	0.000	0.000	0.000	0.000
53	A	223	HIS	0	-0.017	-0.006	12.884	-0.048	-0.048	0.000	0.000	0.000	0.000
54	A	224	ILE	0	-0.064	-0.027	13.901	0.019	0.019	0.000	0.000	0.000	0.000
55	A	225	THR	0	0.002	-0.003	16.564	-0.018	-0.018	0.000	0.000	0.000	0.000
56	A	226	THR	0	0.031	0.026	20.024	-0.010	-0.010	0.000	0.000	0.000	0.000
57	A	227	LEU	0	-0.016	-0.010	15.857	0.031	0.031	0.000	0.000	0.000	0.000
58	A	228	VAL	0	0.030	0.014	19.233	-0.014	-0.014	0.000	0.000	0.000	0.000
59	A	229	ILE	0	-0.052	-0.051	17.159	0.051	0.051	0.000	0.000	0.000	0.000
60	A	230	PRO	0	0.018	0.014	20.385	-0.020	-0.020	0.000	0.000	0.000	0.000
61	A	231	ASP	-1	-0.778	-0.882	22.565	0.145	0.145	0.000	0.000	0.000	0.000
62	A	232	ASN	0	-0.112	-0.075	20.199	0.057	0.057	0.000	0.000	0.000	0.000
63	A	233	ASN	0	-0.035	-0.016	21.347	-0.007	-0.007	0.000	0.000	0.000	0.000
64	A	234	LEU	0	-0.016	-0.003	17.302	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	235	THR	0	0.029	0.013	20.453	-0.021	-0.021	0.000	0.000	0.000	0.000
66	A	236	SER	0	-0.026	-0.025	18.452	-0.027	-0.027	0.000	0.000	0.000	0.000
67	A	237	LEU	0	-0.010	0.001	17.386	0.037	0.037	0.000	0.000	0.000	0.000
68	A	238	PRO	0	0.025	0.022	13.080	-0.033	-0.033	0.000	0.000	0.000	0.000
69	A	239	ALA	0	0.003	-0.007	14.401	0.007	0.007	0.000	0.000	0.000	0.000
70	A	240	LEU	0	0.005	0.004	14.733	0.027	0.027	0.000	0.000	0.000	0.000
71	A	241	PRO	0	-0.019	-0.011	13.988	-0.037	-0.037	0.000	0.000	0.000	0.000
72	A	242	PRO	0	0.024	-0.001	15.402	0.012	0.012	0.000	0.000	0.000	0.000
73	A	243	GLU	-1	-0.885	-0.927	18.219	-0.059	-0.059	0.000	0.000	0.000	0.000
74	A	244	LEU	0	-0.068	-0.029	18.491	0.015	0.015	0.000	0.000	0.000	0.000
75	A	245	ARG	1	0.852	0.917	20.811	-0.001	-0.001	0.000	0.000	0.000	0.000
76	A	246	THR	0	0.033	0.029	23.142	-0.006	-0.006	0.000	0.000	0.000	0.000
77	A	247	LEU	0	-0.042	-0.024	20.346	0.012	0.012	0.000	0.000	0.000	0.000
78	A	248	GLU	-1	-0.901	-0.944	22.780	0.112	0.112	0.000	0.000	0.000	0.000
79	A	249	VAL	0	-0.072	-0.045	22.014	0.022	0.022	0.000	0.000	0.000	0.000
80	A	250	SER	0	0.058	0.027	24.371	-0.014	-0.014	0.000	0.000	0.000	0.000
81	A	251	GLY	0	0.078	0.049	25.887	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	252	ASN	0	-0.069	-0.032	22.360	0.033	0.033	0.000	0.000	0.000	0.000
83	A	253	GLN	0	-0.026	-0.031	24.486	-0.003	-0.003	0.000	0.000	0.000	0.000
84	A	254	LEU	0	0.017	0.023	21.208	-0.009	-0.009	0.000	0.000	0.000	0.000
85	A	255	THR	0	0.015	-0.008	25.034	-0.004	-0.004	0.000	0.000	0.000	0.000
86	A	256	SER	0	-0.013	-0.022	24.835	-0.012	-0.012	0.000	0.000	0.000	0.000
87	A	257	LEU	0	0.002	0.000	23.111	0.012	0.012	0.000	0.000	0.000	0.000
88	A	258	PRO	0	0.005	0.015	19.132	-0.014	-0.014	0.000	0.000	0.000	0.000
89	A	259	VAL	0	-0.005	-0.015	21.574	0.007	0.007	0.000	0.000	0.000	0.000
90	A	260	LEU	0	0.015	0.015	21.636	0.004	0.004	0.000	0.000	0.000	0.000
91	A	261	PRO	0	-0.011	-0.008	19.982	-0.010	-0.010	0.000	0.000	0.000	0.000
92	A	262	PRO	0	0.023	0.003	22.675	0.010	0.010	0.000	0.000	0.000	0.000
93	A	263	GLY	0	-0.010	-0.007	24.686	0.003	0.003	0.000	0.000	0.000	0.000
94	A	264	LEU	0	-0.064	-0.024	23.229	0.008	0.008	0.000	0.000	0.000	0.000
95	A	265	LEU	0	-0.003	-0.008	26.028	-0.004	-0.004	0.000	0.000	0.000	0.000
96	A	266	GLU	-1	-0.894	-0.943	27.560	0.055	0.055	0.000	0.000	0.000	0.000
97	A	267	LEU	0	-0.002	-0.008	25.610	0.003	0.003	0.000	0.000	0.000	0.000
98	A	268	SER	0	0.009	0.007	26.944	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	269	ILE	0	-0.047	-0.026	25.339	0.008	0.008	0.000	0.000	0.000	0.000
100	A	270	PHE	0	0.045	0.045	28.276	-0.008	-0.008	0.000	0.000	0.000	0.000
101	A	271	SER	0	0.026	0.029	28.984	0.007	0.007	0.000	0.000	0.000	0.000
102	A	272	ASN	0	-0.023	-0.020	26.029	0.010	0.010	0.000	0.000	0.000	0.000
103	A	273	PRO	0	-0.039	-0.022	28.150	-0.007	-0.007	0.000	0.000	0.000	0.000
104	A	274	LEU	0	-0.007	0.016	27.408	-0.008	-0.008	0.000	0.000	0.000	0.000
105	A	275	THR	0	0.068	0.033	30.287	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	276	HIS	0	-0.055	-0.020	29.685	-0.007	-0.007	0.000	0.000	0.000	0.000
107	A	277	LEU	0	0.039	0.013	28.827	0.003	0.003	0.000	0.000	0.000	0.000
108	A	278	PRO	0	0.009	0.012	25.690	-0.006	-0.006	0.000	0.000	0.000	0.000
109	A	279	ALA	0	-0.007	-0.022	28.706	0.004	0.004	0.000	0.000	0.000	0.000
110	A	280	LEU	0	0.031	0.020	28.673	0.001	0.001	0.000	0.000	0.000	0.000
111	A	281	PRO	0	-0.007	0.005	26.975	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	282	SER	0	-0.007	-0.018	29.894	0.005	0.005	0.000	0.000	0.000	0.000
113	A	283	GLY	0	0.009	0.006	31.478	0.002	0.002	0.000	0.000	0.000	0.000
114	A	284	LEU	0	-0.039	-0.004	28.930	0.004	0.004	0.000	0.000	0.000	0.000
115	A	285	CYS	0	-0.027	-0.025	31.792	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	286	LYS	1	0.888	0.956	31.831	-0.033	-0.033	0.000	0.000	0.000	0.000
117	A	287	LEU	0	0.020	0.011	31.174	0.001	0.001	0.000	0.000	0.000	0.000
118	A	288	TRP	0	-0.045	-0.021	31.686	0.000	0.000	0.000	0.000	0.000	0.000
119	A	289	ILE	0	0.012	-0.007	30.652	0.005	0.005	0.000	0.000	0.000	0.000
120	A	290	PHE	0	0.009	0.016	32.870	-0.003	-0.003	0.000	0.000	0.000	0.000
121	A	291	GLY	0	0.050	0.026	33.776	0.006	0.006	0.000	0.000	0.000	0.000
122	A	292	ASN	0	-0.084	-0.051	30.727	0.011	0.011	0.000	0.000	0.000	0.000
123	A	293	GLN	0	0.023	0.016	33.556	-0.005	-0.005	0.000	0.000	0.000	0.000
124	A	294	LEU	0	-0.060	-0.015	31.992	-0.005	-0.005	0.000	0.000	0.000	0.000
125	A	295	THR	0	0.020	-0.001	35.728	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	296	SER	0	-0.061	-0.030	36.840	-0.004	-0.004	0.000	0.000	0.000	0.000
127	A	297	LEU	0	0.007	-0.002	35.558	0.003	0.003	0.000	0.000	0.000	0.000
128	A	298	PRO	0	-0.001	0.010	32.363	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	299	VAL	0	-0.009	-0.017	35.414	0.003	0.003	0.000	0.000	0.000	0.000
130	A	300	LEU	0	0.025	0.015	35.667	0.000	0.000	0.000	0.000	0.000	0.000
131	A	301	PRO	0	-0.007	0.008	33.418	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	302	PRO	0	0.023	-0.014	36.460	0.003	0.003	0.000	0.000	0.000	0.000
133	A	303	GLY	0	0.030	0.014	37.730	0.001	0.001	0.000	0.000	0.000	0.000
134	A	304	LEU	0	-0.036	-0.009	34.570	0.003	0.003	0.000	0.000	0.000	0.000
135	A	305	GLN	0	0.061	0.034	36.965	0.003	0.003	0.000	0.000	0.000	0.000
136	A	306	GLU	-1	-0.842	-0.922	36.684	0.038	0.038	0.000	0.000	0.000	0.000
137	A	307	LEU	0	-0.004	-0.001	36.501	0.000	0.000	0.000	0.000	0.000	0.000
138	A	308	SER	0	-0.002	0.009	36.161	-0.001	-0.001	0.000	0.000	0.000	0.000
139	A	309	VAL	0	0.016	-0.019	36.100	0.002	0.002	0.000	0.000	0.000	0.000
140	A	310	SER	0	0.018	0.018	37.871	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	311	ASP	-1	-0.856	-0.914	38.235	0.046	0.046	0.000	0.000	0.000	0.000
142	A	312	ASN	0	-0.075	-0.038	35.686	0.004	0.004	0.000	0.000	0.000	0.000
143	A	313	GLN	0	-0.028	-0.015	38.691	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	314	LEU	0	-0.009	0.006	38.048	-0.004	-0.004	0.000	0.000	0.000	0.000
145	A	315	ALA	0	0.046	0.014	41.717	0.001	0.001	0.000	0.000	0.000	0.000
146	A	316	SER	0	-0.064	-0.044	43.624	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	317	LEU	0	0.025	0.014	41.471	0.001	0.001	0.000	0.000	0.000	0.000
148	A	318	PRO	0	0.022	0.011	39.231	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	319	ALA	0	-0.018	-0.016	42.544	0.002	0.002	0.000	0.000	0.000	0.000
150	A	320	LEU	0	0.031	0.011	42.282	0.000	0.000	0.000	0.000	0.000	0.000
151	A	321	PRO	0	-0.041	-0.002	39.262	-0.002	-0.002	0.000	0.000	0.000	0.000
152	A	322	SER	0	-0.023	-0.061	42.286	0.001	0.001	0.000	0.000	0.000	0.000
153	A	323	GLU	-1	-0.891	-0.910	41.059	0.003	0.003	0.000	0.000	0.000	0.000
154	A	324	LEU	0	-0.047	-0.007	39.871	0.002	0.002	0.000	0.000	0.000	0.000
155	A	325	CYS	0	-0.060	-0.031	41.837	0.000	0.000	0.000	0.000	0.000	0.000
156	A	326	LYS	1	0.897	0.942	40.691	-0.031	-0.031	0.000	0.000	0.000	0.000
157	A	327	LEU	0	0.037	0.022	41.373	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	328	TRP	0	-0.078	-0.041	39.510	0.001	0.001	0.000	0.000	0.000	0.000
159	A	329	ALA	0	0.034	0.006	40.858	0.000	0.000	0.000	0.000	0.000	0.000
160	A	330	TYR	0	0.015	0.015	41.470	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	331	ASN	0	-0.035	-0.036	42.541	0.000	0.000	0.000	0.000	0.000	0.000
162	A	332	ASN	0	-0.041	-0.008	40.775	0.001	0.001	0.000	0.000	0.000	0.000
163	A	333	GLN	0	-0.007	-0.013	43.042	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	334	LEU	0	-0.012	0.013	44.085	-0.003	-0.003	0.000	0.000	0.000	0.000
165	A	335	THR	0	0.035	0.000	47.794	0.001	0.001	0.000	0.000	0.000	0.000
166	A	336	SER	0	-0.049	-0.030	50.132	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	337	LEU	0	0.023	0.009	47.286	0.001	0.001	0.000	0.000	0.000	0.000
168	A	338	PRO	0	0.016	0.023	45.528	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	339	MET	0	-0.021	-0.032	48.862	0.001	0.001	0.000	0.000	0.000	0.000
170	A	340	LEU	0	0.002	-0.005	48.229	0.000	0.000	0.000	0.000	0.000	0.000
171	A	341	PRO	0	-0.002	0.018	44.975	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	342	SER	0	0.033	0.005	48.073	0.001	0.001	0.000	0.000	0.000	0.000
173	A	343	GLY	0	0.022	0.012	47.807	0.001	0.001	0.000	0.000	0.000	0.000
174	A	344	LEU	0	-0.057	-0.015	44.946	0.002	0.002	0.000	0.000	0.000	0.000
175	A	345	GLN	0	0.011	-0.004	45.612	0.001	0.001	0.000	0.000	0.000	0.000
176	A	346	GLU	-1	-0.787	-0.863	45.042	0.032	0.032	0.000	0.000	0.000	0.000
177	A	347	LEU	0	0.014	0.008	45.991	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	348	SER	0	-0.028	0.000	45.013	0.000	0.000	0.000	0.000	0.000	0.000
179	A	349	VAL	0	0.027	-0.014	45.381	0.001	0.001	0.000	0.000	0.000	0.000
180	A	350	SER	0	0.016	0.006	47.477	-0.002	-0.002	0.000	0.000	0.000	0.000
181	A	351	ASP	-1	-0.819	-0.892	47.369	0.030	0.030	0.000	0.000	0.000	0.000
182	A	352	ASN	0	-0.019	0.003	45.890	0.000	0.000	0.000	0.000	0.000	0.000
183	A	353	GLN	0	-0.042	-0.030	49.237	0.000	0.000	0.000	0.000	0.000	0.000
184	A	354	LEU	0	-0.018	0.005	49.560	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	355	ALA	0	0.021	0.003	53.188	0.000	0.000	0.000	0.000	0.000	0.000
186	A	356	SER	0	-0.067	-0.047	55.427	0.000	0.000	0.000	0.000	0.000	0.000
187	A	357	LEU	0	0.023	0.010	52.533	0.001	0.001	0.000	0.000	0.000	0.000
188	A	358	PRO	0	0.009	0.022	51.708	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	359	THR	0	-0.006	-0.030	55.014	0.001	0.001	0.000	0.000	0.000	0.000
190	A	360	LEU	0	0.009	0.010	53.716	0.000	0.000	0.000	0.000	0.000	0.000
191	A	361	PRO	0	-0.007	0.004	50.447	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	362	SER	0	-0.028	-0.054	53.505	0.001	0.001	0.000	0.000	0.000	0.000
193	A	363	GLU	-1	-0.894	-0.915	50.749	0.011	0.011	0.000	0.000	0.000	0.000
194	A	364	LEU	0	-0.068	-0.018	49.716	0.002	0.002	0.000	0.000	0.000	0.000
195	A	365	TYR	0	-0.023	-0.037	46.258	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	366	LYS	1	0.850	0.921	45.910	-0.031	-0.031	0.000	0.000	0.000	0.000
197	A	367	LEU	0	0.004	-0.001	50.367	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	368	TRP	0	-0.050	-0.020	46.694	0.001	0.001	0.000	0.000	0.000	0.000
199	A	369	ALA	0	0.021	-0.016	50.042	0.000	0.000	0.000	0.000	0.000	0.000
200	A	370	TYR	0	-0.031	0.000	48.226	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	371	ASN	0	-0.023	-0.025	51.752	0.000	0.000	0.000	0.000	0.000	0.000
202	A	372	ASN	0	-0.010	0.004	50.734	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	373	ARG	1	0.815	0.901	53.620	-0.015	-0.015	0.000	0.000	0.000	0.000
204	A	374	LEU	0	0.037	0.047	55.094	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	375	THR	0	0.038	0.002	58.648	0.000	0.000	0.000	0.000	0.000	0.000
206	A	376	SER	0	-0.028	-0.020	61.468	0.000	0.000	0.000	0.000	0.000	0.000
207	A	377	LEU	0	0.012	0.006	58.092	0.000	0.000	0.000	0.000	0.000	0.000
208	A	378	PRO	0	0.014	0.016	57.020	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	379	ALA	0	-0.012	-0.013	60.282	0.001	0.001	0.000	0.000	0.000	0.000
210	A	380	LEU	0	0.028	0.004	58.423	0.000	0.000	0.000	0.000	0.000	0.000
211	A	381	PRO	0	-0.008	0.011	55.321	0.000	0.000	0.000	0.000	0.000	0.000
212	A	382	SER	0	0.012	-0.009	58.251	0.000	0.000	0.000	0.000	0.000	0.000
213	A	383	GLY	0	0.065	0.045	56.797	0.000	0.000	0.000	0.000	0.000	0.000
214	A	384	LEU	0	-0.045	-0.011	54.241	0.001	0.001	0.000	0.000	0.000	0.000
215	A	385	LYS	1	0.815	0.890	53.872	-0.019	-0.019	0.000	0.000	0.000	0.000
216	A	386	GLU	-1	-0.866	-0.925	51.276	0.029	0.029	0.000	0.000	0.000	0.000
217	A	387	LEU	0	0.011	-0.002	54.505	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	388	ILE	0	-0.010	0.006	52.370	0.000	0.000	0.000	0.000	0.000	0.000
219	A	389	VAL	0	0.019	-0.004	54.056	0.000	0.000	0.000	0.000	0.000	0.000
220	A	390	SER	0	0.048	0.044	55.960	-0.001	-0.001	0.000	0.000	0.000	0.000
221	A	391	GLY	0	0.036	0.021	56.391	0.001	0.001	0.000	0.000	0.000	0.000
222	A	392	ASN	0	-0.039	-0.013	55.489	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	393	ARG	1	0.890	0.933	58.905	-0.013	-0.013	0.000	0.000	0.000	0.000
224	A	394	LEU	0	-0.017	0.003	59.848	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	395	THR	0	-0.006	-0.015	63.456	0.000	0.000	0.000	0.000	0.000	0.000
226	A	396	SER	0	-0.035	-0.017	65.783	0.000	0.000	0.000	0.000	0.000	0.000
227	A	397	LEU	0	0.013	0.004	62.326	0.000	0.000	0.000	0.000	0.000	0.000
228	A	398	PRO	0	-0.010	0.013	62.631	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	399	VAL	0	0.014	-0.015	65.552	0.001	0.001	0.000	0.000	0.000	0.000
230	A	400	LEU	0	0.009	0.010	62.748	0.000	0.000	0.000	0.000	0.000	0.000
231	A	401	PRO	0	0.006	0.019	60.057	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	402	SER	0	0.036	-0.005	63.067	0.000	0.000	0.000	0.000	0.000	0.000
233	A	403	GLU	-1	-0.910	-0.949	58.389	0.017	0.017	0.000	0.000	0.000	0.000
234	A	404	LEU	0	-0.054	-0.015	58.170	0.001	0.001	0.000	0.000	0.000	0.000
235	A	405	LYS	1	0.959	0.991	55.320	-0.024	-0.024	0.000	0.000	0.000	0.000
236	A	406	GLU	-1	-0.811	-0.886	55.134	0.026	0.026	0.000	0.000	0.000	0.000
237	A	407	LEU	0	-0.005	0.001	58.197	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	408	MET	0	-0.001	0.012	56.631	0.000	0.000	0.000	0.000	0.000	0.000
239	A	409	VAL	0	0.025	-0.009	58.349	0.000	0.000	0.000	0.000	0.000	0.000
240	A	410	SER	0	0.017	0.026	59.908	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	411	GLY	0	-0.007	-0.001	60.674	0.000	0.000	0.000	0.000	0.000	0.000
242	A	412	ASN	0	-0.046	-0.025	59.992	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	413	ARG	1	0.906	0.951	63.544	-0.011	-0.011	0.000	0.000	0.000	0.000
244	A	414	LEU	0	0.024	0.026	64.352	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	415	THR	0	0.024	0.000	68.204	0.000	0.000	0.000	0.000	0.000	0.000
246	A	416	SER	0	-0.072	-0.047	70.935	0.000	0.000	0.000	0.000	0.000	0.000
247	A	417	LEU	0	0.042	0.020	66.876	0.000	0.000	0.000	0.000	0.000	0.000
248	A	418	PRO	0	-0.003	0.002	66.620	0.000	0.000	0.000	0.000	0.000	0.000
249	A	419	MET	0	-0.011	-0.005	69.738	0.000	0.000	0.000	0.000	0.000	0.000
250	A	420	LEU	0	-0.012	-0.009	66.682	0.000	0.000	0.000	0.000	0.000	0.000
251	A	421	PRO	0	0.006	0.003	63.996	0.000	0.000	0.000	0.000	0.000	0.000
252	A	422	SER	0	0.029	0.000	66.284	0.001	0.001	0.000	0.000	0.000	0.000
253	A	423	GLY	0	0.000	0.011	63.833	0.000	0.000	0.000	0.000	0.000	0.000
254	A	424	LEU	0	-0.067	-0.029	61.645	0.001	0.001	0.000	0.000	0.000	0.000
255	A	425	LEU	0	0.009	-0.001	58.177	0.000	0.000	0.000	0.000	0.000	0.000
256	A	426	SER	0	-0.022	-0.027	58.477	0.001	0.001	0.000	0.000	0.000	0.000
257	A	427	LEU	0	-0.009	0.002	61.289	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	428	SER	0	-0.013	-0.011	60.367	0.000	0.000	0.000	0.000	0.000	0.000
259	A	429	VAL	0	0.016	-0.017	62.466	0.000	0.000	0.000	0.000	0.000	0.000
260	A	430	TYR	0	0.041	0.035	59.190	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	431	ARG	1	0.875	0.927	63.769	-0.019	-0.019	0.000	0.000	0.000	0.000
262	A	432	ASN	0	-0.032	-0.009	64.285	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	433	GLN	0	-0.029	-0.032	67.804	0.000	0.000	0.000	0.000	0.000	0.000
264	A	434	LEU	0	0.000	0.023	68.688	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	435	THR	0	0.040	0.017	72.575	0.000	0.000	0.000	0.000	0.000	0.000
266	A	436	ARG	1	0.873	0.945	75.381	-0.011	-0.011	0.000	0.000	0.000	0.000
267	A	437	LEU	0	0.047	0.016	72.033	0.000	0.000	0.000	0.000	0.000	0.000
268	A	438	PRO	0	-0.004	0.009	70.997	0.000	0.000	0.000	0.000	0.000	0.000
269	A	439	GLU	-1	-0.870	-0.938	74.229	0.012	0.012	0.000	0.000	0.000	0.000
270	A	440	SER	0	0.010	-0.002	71.140	0.000	0.000	0.000	0.000	0.000	0.000
271	A	441	LEU	0	-0.009	-0.002	69.678	0.000	0.000	0.000	0.000	0.000	0.000
272	A	442	ILE	0	-0.009	-0.017	71.408	0.001	0.001	0.000	0.000	0.000	0.000
273	A	443	HIS	0	-0.038	-0.013	72.976	0.000	0.000	0.000	0.000	0.000	0.000
274	A	444	LEU	0	-0.053	-0.006	66.883	0.000	0.000	0.000	0.000	0.000	0.000
275	A	445	SER	0	-0.015	-0.027	65.622	0.000	0.000	0.000	0.000	0.000	0.000
276	A	446	SER	0	0.043	-0.009	67.926	0.000	0.000	0.000	0.000	0.000	0.000
277	A	447	GLU	-1	-0.921	-0.920	63.465	0.022	0.022	0.000	0.000	0.000	0.000
278	A	448	THR	0	-0.091	-0.025	63.598	0.001	0.001	0.000	0.000	0.000	0.000
279	A	449	THR	0	-0.012	-0.005	61.157	0.000	0.000	0.000	0.000	0.000	0.000
280	A	450	VAL	0	0.038	0.014	63.899	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	451	ASN	0	-0.035	-0.016	63.430	-0.001	-0.001	0.000	0.000	0.000	0.000
282	A	452	LEU	0	0.024	-0.003	66.086	0.000	0.000	0.000	0.000	0.000	0.000
283	A	453	GLU	-1	-0.789	-0.864	65.816	0.021	0.021	0.000	0.000	0.000	0.000
284	A	454	GLY	0	0.002	0.010	68.084	0.000	0.000	0.000	0.000	0.000	0.000
285	A	455	ASN	0	0.003	-0.016	68.323	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	456	PRO	0	-0.020	0.005	71.785	0.000	0.000	0.000	0.000	0.000	0.000
287	A	457	LEU	0	-0.010	-0.003	73.179	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	458	SER	0	-0.013	-0.023	76.636	0.000	0.000	0.000	0.000	0.000	0.000
289	A	459	GLU	-1	-0.888	-0.950	80.306	0.011	0.011	0.000	0.000	0.000	0.000
290	A	460	ARG	1	0.781	0.836	82.897	-0.011	-0.011	0.000	0.000	0.000	0.000
291	A	461	THR	0	-0.016	-0.008	76.928	0.000	0.000	0.000	0.000	0.000	0.000
292	A	462	LEU	0	0.076	0.033	76.170	0.000	0.000	0.000	0.000	0.000	0.000
293	A	463	GLN	0	-0.044	0.004	79.568	0.000	0.000	0.000	0.000	0.000	0.000
294	A	464	ALA	0	-0.002	-0.007	81.061	0.000	0.000	0.000	0.000	0.000	0.000
295	A	465	LEU	0	0.036	0.010	74.556	0.000	0.000	0.000	0.000	0.000	0.000
296	A	466	ARG	1	0.962	1.002	78.820	-0.014	-0.014	0.000	0.000	0.000	0.000
297	A	467	GLU	-1	-0.811	-0.859	80.456	0.012	0.012	0.000	0.000	0.000	0.000
298	A	468	ILE	0	-0.018	-0.010	78.064	0.000	0.000	0.000	0.000	0.000	0.000
299	A	469	THR	0	-0.023	-0.038	75.363	0.000	0.000	0.000	0.000	0.000	0.000
300	A	470	SER	0	-0.050	-0.036	77.924	0.001	0.001	0.000	0.000	0.000	0.000
301	A	471	ALA	0	-0.040	0.004	80.777	0.000	0.000	0.000	0.000	0.000	0.000
302	A	472	PRO	0	0.012	-0.008	80.809	0.000	0.000	0.000	0.000	0.000	0.000
303	A	473	GLY	0	-0.038	-0.028	79.798	0.000	0.000	0.000	0.000	0.000	0.000
304	A	474	TYR	0	-0.052	-0.019	72.871	0.000	0.000	0.000	0.000	0.000	0.000
305	A	475	SER	0	0.005	-0.011	74.245	0.000	0.000	0.000	0.000	0.000	0.000
306	A	476	GLY	0	0.027	0.030	72.088	0.000	0.000	0.000	0.000	0.000	0.000
307	A	477	PRO	0	-0.020	0.002	68.194	0.001	0.001	0.000	0.000	0.000	0.000
308	A	478	ILE	0	0.043	0.028	68.052	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	479	ILE	0	-0.057	-0.036	68.417	0.000	0.000	0.000	0.000	0.000	0.000
310	A	480	ARG	1	0.762	0.865	64.816	-0.024	-0.024	0.000	0.000	0.000	0.000
311	A	481	PHE	0	-0.039	-0.037	69.317	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	482	ASP	-1	-0.733	-0.856	70.376	0.019	0.019	0.000	0.000	0.000	0.000
313	A	483	MET	0	0.009	0.004	72.762	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	484	ALA	0	-0.097	-0.028	71.173	0.000	0.000	0.000	0.000	0.000	0.000
315	A	485	GLY	0	0.032	0.021	73.194	0.000	0.000	0.000	0.000	0.000	0.000
316	A	486	ALA	0	-0.027	-0.020	71.139	0.001	0.001	0.000	0.000	0.000	0.000
317	A	487	SER	0	-0.010	-0.016	67.521	0.000	0.000	0.000	0.000	0.000	0.000
318	A	488	ALA	0	0.010	0.019	68.634	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	489	PRO	0	-0.030	-0.009	68.557	0.000	0.000	0.000	0.000	0.000	0.000
320	A	490	ARG	1	0.913	0.926	67.342	-0.012	-0.012	0.000	0.000	0.000	0.000
321	A	491	GLU	-1	-0.880	-0.946	68.466	0.015	0.015	0.000	0.000	0.000	0.000
322	A	492	THR	0	0.005	0.021	64.878	0.000	0.000	0.000	0.000	0.000	0.000
323	A	493	ARG	1	0.705	0.821	67.768	-0.015	-0.015	0.000	0.000	0.000	0.000
324	A	494	ALA	0	0.060	0.027	67.869	0.001	0.001	0.000	0.000	0.000	0.000
325	A	495	LEU	0	0.082	0.049	66.361	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	496	HIS	0	0.020	0.003	69.062	0.000	0.000	0.000	0.000	0.000	0.000
327	A	497	LEU	0	-0.081	-0.040	71.795	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	498	ALA	0	0.064	0.038	71.442	0.000	0.000	0.000	0.000	0.000	0.000
329	A	499	ALA	0	-0.006	-0.008	72.268	0.000	0.000	0.000	0.000	0.000	0.000
330	A	500	ALA	0	-0.026	-0.025	74.214	0.000	0.000	0.000	0.000	0.000	0.000
331	A	501	ASP	-1	-0.815	-0.874	77.125	0.013	0.013	0.000	0.000	0.000	0.000
332	A	502	TRP	0	-0.064	-0.033	76.005	0.000	0.000	0.000	0.000	0.000	0.000
333	A	503	LEU	0	-0.044	-0.020	75.031	0.000	0.000	0.000	0.000	0.000	0.000
334	A	504	VAL	0	-0.027	-0.011	79.410	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	505	PRO	0	-0.016	-0.002	82.186	0.000	0.000	0.000	0.000	0.000	0.000
336	A	514	ALA	0	0.024	-0.007	74.730	0.000	0.000	0.000	0.000	0.000	0.000
337	A	515	ASP	-1	-0.885	-0.936	73.286	0.015	0.015	0.000	0.000	0.000	0.000
338	A	516	ARG	1	0.853	0.911	70.230	-0.020	-0.020	0.000	0.000	0.000	0.000
339	A	517	TRP	0	0.025	0.000	69.160	0.001	0.001	0.000	0.000	0.000	0.000
340	A	518	HIS	0	0.012	0.016	68.532	0.001	0.001	0.000	0.000	0.000	0.000
341	A	519	MET	0	-0.031	-0.009	63.569	0.000	0.000	0.000	0.000	0.000	0.000
342	A	520	PHE	0	0.011	0.001	64.205	0.000	0.000	0.000	0.000	0.000	0.000
343	A	521	GLY	0	0.001	0.012	64.133	0.001	0.001	0.000	0.000	0.000	0.000
344	A	522	GLN	0	-0.074	-0.047	60.227	-0.001	-0.001	0.000	0.000	0.000	0.000
345	A	523	GLU	-1	-0.835	-0.878	59.504	0.026	0.026	0.000	0.000	0.000	0.000
346	A	524	ASP	-1	-0.865	-0.955	55.410	0.031	0.031	0.000	0.000	0.000	0.000
347	A	525	ASN	0	-0.039	-0.021	57.363	0.000	0.000	0.000	0.000	0.000	0.000
348	A	526	ALA	0	0.044	0.040	60.489	-0.001	-0.001	0.000	0.000	0.000	0.000
349	A	527	ASP	-1	-0.903	-0.954	61.521	0.020	0.020	0.000	0.000	0.000	0.000
350	A	528	ALA	0	-0.018	-0.004	62.035	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	529	PHE	0	0.047	0.002	64.086	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	530	SER	0	-0.034	-0.025	66.626	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	531	LEU	0	0.001	-0.004	66.920	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	532	PHE	0	-0.016	-0.018	68.315	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	533	LEU	0	0.008	-0.001	70.028	0.000	0.000	0.000	0.000	0.000	0.000
356	A	534	ASP	-1	-0.785	-0.856	72.355	0.015	0.015	0.000	0.000	0.000	0.000
357	A	535	ARG	1	0.893	0.951	70.451	-0.017	-0.017	0.000	0.000	0.000	0.000
358	A	536	LEU	0	-0.010	0.009	74.148	0.000	0.000	0.000	0.000	0.000	0.000
359	A	537	SER	0	-0.084	-0.038	76.109	0.000	0.000	0.000	0.000	0.000	0.000
360	A	538	GLU	-1	-0.926	-0.964	75.889	0.014	0.014	0.000	0.000	0.000	0.000
361	A	539	THR	0	-0.030	-0.032	76.949	0.000	0.000	0.000	0.000	0.000	0.000
362	A	540	GLU	-1	-0.790	-0.880	79.887	0.013	0.013	0.000	0.000	0.000	0.000
363	A	541	ASN	0	-0.028	-0.022	79.730	0.000	0.000	0.000	0.000	0.000	0.000
364	A	542	PHE	0	-0.016	-0.002	81.092	0.000	0.000	0.000	0.000	0.000	0.000
365	A	543	ILE	0	-0.031	-0.012	83.068	0.000	0.000	0.000	0.000	0.000	0.000
366	A	544	LYS	1	0.760	0.856	85.883	-0.014	-0.014	0.000	0.000	0.000	0.000
367	A	545	ASP	-1	-0.890	-0.933	85.117	0.015	0.015	0.000	0.000	0.000	0.000
368	A	546	ALA	0	-0.004	-0.010	86.323	0.000	0.000	0.000	0.000	0.000	0.000
369	A	547	GLY	0	-0.010	-0.002	86.943	0.000	0.000	0.000	0.000	0.000	0.000
370	A	548	PHE	0	0.009	-0.004	78.285	0.000	0.000	0.000	0.000	0.000	0.000
371	A	549	LYS	1	0.931	0.954	81.660	-0.013	-0.013	0.000	0.000	0.000	0.000
372	A	550	ALA	0	0.013	0.009	81.486	0.000	0.000	0.000	0.000	0.000	0.000
373	A	551	GLN	0	-0.001	0.003	79.805	0.001	0.001	0.000	0.000	0.000	0.000
374	A	552	ILE	0	0.021	0.021	76.102	0.001	0.001	0.000	0.000	0.000	0.000
375	A	553	SER	0	0.070	0.038	76.937	0.000	0.000	0.000	0.000	0.000	0.000
376	A	554	SER	0	-0.074	-0.043	77.933	0.000	0.000	0.000	0.000	0.000	0.000
377	A	555	TRP	0	-0.008	0.001	70.777	0.000	0.000	0.000	0.000	0.000	0.000
378	A	556	LEU	0	0.020	0.006	72.383	0.001	0.001	0.000	0.000	0.000	0.000
379	A	557	ALA	0	-0.008	-0.013	73.127	0.000	0.000	0.000	0.000	0.000	0.000
380	A	558	GLN	0	0.010	0.003	73.538	0.001	0.001	0.000	0.000	0.000	0.000
381	A	559	LEU	0	0.026	0.017	68.760	0.001	0.001	0.000	0.000	0.000	0.000
382	A	560	ALA	0	-0.018	-0.008	69.013	0.001	0.001	0.000	0.000	0.000	0.000
383	A	561	GLU	-1	-1.003	-1.001	69.782	0.020	0.020	0.000	0.000	0.000	0.000
384	A	562	ASP	-1	-0.798	-0.866	66.391	0.027	0.027	0.000	0.000	0.000	0.000
385	A	563	GLU	-1	-0.904	-0.955	60.489	0.029	0.029	0.000	0.000	0.000	0.000
386	A	564	ALA	0	0.024	0.012	61.830	0.000	0.000	0.000	0.000	0.000	0.000
387	A	565	LEU	0	0.009	0.010	62.841	0.000	0.000	0.000	0.000	0.000	0.000
388	A	566	ARG	1	0.794	0.879	64.353	-0.024	-0.024	0.000	0.000	0.000	0.000
389	A	567	ALA	0	0.026	0.020	59.882	0.000	0.000	0.000	0.000	0.000	0.000
390	A	568	ASN	0	-0.018	-0.013	60.668	0.001	0.001	0.000	0.000	0.000	0.000
391	A	569	THR	0	-0.034	-0.047	62.501	0.000	0.000	0.000	0.000	0.000	0.000
392	A	570	PHE	0	-0.024	-0.022	62.787	-0.001	-0.001	0.000	0.000	0.000	0.000
393	A	571	ALA	0	0.050	0.033	59.481	0.000	0.000	0.000	0.000	0.000	0.000
394	A	572	MET	0	-0.051	-0.010	61.186	0.000	0.000	0.000	0.000	0.000	0.000
395	A	573	ALA	0	-0.028	-0.001	63.716	0.000	0.000	0.000	0.000	0.000	0.000
396	A	574	THR	0	-0.048	-0.039	58.712	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	575	GLU	-1	-0.867	-0.892	61.606	0.025	0.025	0.000	0.000	0.000	0.000
398	A	576	ALA	0	-0.012	0.029	64.607	0.000	0.000	0.000	0.000	0.000	0.000
399	A	577	THR	0	0.024	0.006	66.078	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	578	SER	0	-0.048	-0.054	63.968	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	579	SER	0	-0.019	-0.028	66.507	0.000	0.000	0.000	0.000	0.000	0.000
402	A	580	CYS	0	0.001	0.024	69.897	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	581	GLU	-1	-0.736	-0.882	73.178	0.015	0.015	0.000	0.000	0.000	0.000
404	A	582	ASP	-1	-0.696	-0.826	75.452	0.017	0.017	0.000	0.000	0.000	0.000
405	A	583	ARG	1	0.883	0.935	64.510	-0.023	-0.023	0.000	0.000	0.000	0.000
406	A	584	VAL	0	0.033	0.001	71.124	0.001	0.001	0.000	0.000	0.000	0.000
407	A	585	THR	0	-0.020	-0.013	72.319	0.000	0.000	0.000	0.000	0.000	0.000
408	A	586	PHE	0	-0.013	-0.009	68.440	0.000	0.000	0.000	0.000	0.000	0.000
409	A	587	PHE	0	0.053	-0.001	64.644	0.001	0.001	0.000	0.000	0.000	0.000
410	A	588	LEU	0	-0.007	0.018	70.106	0.001	0.001	0.000	0.000	0.000	0.000
411	A	589	HIS	0	0.025	0.029	72.723	0.000	0.000	0.000	0.000	0.000	0.000
412	A	590	GLN	0	0.006	0.004	67.926	0.000	0.000	0.000	0.000	0.000	0.000
413	A	591	MET	0	0.025	0.016	67.068	0.000	0.000	0.000	0.000	0.000	0.000
414	A	592	LYS	1	0.887	0.961	69.589	-0.019	-0.019	0.000	0.000	0.000	0.000
415	A	593	ASN	0	-0.029	-0.010	69.233	0.001	0.001	0.000	0.000	0.000	0.000
416	A	594	VAL	0	0.061	0.025	65.359	0.000	0.000	0.000	0.000	0.000	0.000
417	A	595	GLN	0	-0.012	-0.009	68.117	0.000	0.000	0.000	0.000	0.000	0.000
418	A	596	LEU	0	-0.028	-0.012	70.325	0.000	0.000	0.000	0.000	0.000	0.000
419	A	597	VAL	0	0.042	0.006	66.399	0.000	0.000	0.000	0.000	0.000	0.000
420	A	598	HIS	0	-0.038	-0.015	65.086	0.001	0.001	0.000	0.000	0.000	0.000
421	A	599	ASN	0	-0.006	-0.007	67.968	0.001	0.001	0.000	0.000	0.000	0.000
422	A	600	ALA	0	-0.021	-0.019	70.734	0.000	0.000	0.000	0.000	0.000	0.000
423	A	601	GLU	-1	-0.911	-0.944	63.985	0.034	0.034	0.000	0.000	0.000	0.000
424	A	602	LYS	1	0.840	0.904	67.280	-0.025	-0.025	0.000	0.000	0.000	0.000
425	A	603	GLY	0	0.000	0.001	68.235	0.000	0.000	0.000	0.000	0.000	0.000
426	A	604	GLN	0	-0.069	-0.018	71.453	0.000	0.000	0.000	0.000	0.000	0.000
427	A	605	TYR	0	0.020	-0.004	74.085	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	606	ASP	-1	-0.767	-0.882	72.486	0.027	0.027	0.000	0.000	0.000	0.000
429	A	607	ASN	0	-0.067	-0.034	75.484	0.000	0.000	0.000	0.000	0.000	0.000
430	A	608	ASP	-1	-0.849	-0.922	78.672	0.019	0.019	0.000	0.000	0.000	0.000
431	A	609	LEU	0	0.047	0.023	76.894	0.000	0.000	0.000	0.000	0.000	0.000
432	A	610	ALA	0	0.022	0.014	79.645	0.000	0.000	0.000	0.000	0.000	0.000
433	A	611	ALA	0	-0.001	0.014	79.391	0.000	0.000	0.000	0.000	0.000	0.000
434	A	612	LEU	0	0.004	0.007	73.009	0.000	0.000	0.000	0.000	0.000	0.000
435	A	613	VAL	0	-0.022	-0.014	76.234	0.001	0.001	0.000	0.000	0.000	0.000
436	A	614	ALA	0	-0.033	-0.022	78.395	0.000	0.000	0.000	0.000	0.000	0.000
437	A	615	THR	0	0.000	-0.001	73.644	0.000	0.000	0.000	0.000	0.000	0.000
438	A	616	GLY	0	0.037	0.016	74.014	0.000	0.000	0.000	0.000	0.000	0.000
439	A	617	ARG	1	0.873	0.920	74.999	-0.021	-0.021	0.000	0.000	0.000	0.000
440	A	618	GLU	-1	-0.766	-0.828	76.586	0.021	0.021	0.000	0.000	0.000	0.000
441	A	619	MET	0	-0.007	-0.003	71.505	0.000	0.000	0.000	0.000	0.000	0.000
442	A	620	PHE	0	-0.012	0.006	72.772	0.000	0.000	0.000	0.000	0.000	0.000
443	A	621	ARG	1	0.785	0.849	74.295	-0.020	-0.020	0.000	0.000	0.000	0.000
444	A	622	LEU	0	0.013	0.007	73.110	0.000	0.000	0.000	0.000	0.000	0.000
445	A	623	GLY	0	0.033	0.024	70.773	0.000	0.000	0.000	0.000	0.000	0.000
446	A	624	LYS	1	0.828	0.903	71.572	-0.025	-0.025	0.000	0.000	0.000	0.000
447	A	625	LEU	0	-0.010	-0.010	74.069	0.000	0.000	0.000	0.000	0.000	0.000
448	A	626	GLU	-1	-0.870	-0.897	66.620	0.028	0.028	0.000	0.000	0.000	0.000
449	A	627	GLN	0	-0.023	-0.020	69.379	0.000	0.000	0.000	0.000	0.000	0.000
450	A	628	ILE	0	0.013	0.000	71.197	0.000	0.000	0.000	0.000	0.000	0.000
451	A	629	ALA	0	-0.030	0.001	72.461	0.000	0.000	0.000	0.000	0.000	0.000
452	A	630	ARG	1	0.873	0.917	65.895	-0.028	-0.028	0.000	0.000	0.000	0.000
453	A	631	GLU	-1	-0.868	-0.927	70.407	0.025	0.025	0.000	0.000	0.000	0.000
454	A	632	LYS	1	0.865	0.932	72.478	-0.019	-0.019	0.000	0.000	0.000	0.000
455	A	633	VAL	0	0.005	0.005	69.122	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	634	ARG	1	0.863	0.916	65.451	-0.027	-0.027	0.000	0.000	0.000	0.000
457	A	635	THR	0	-0.086	-0.045	71.149	0.000	0.000	0.000	0.000	0.000	0.000
458	A	636	LEU	0	-0.053	-0.012	73.613	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	637	ALA	0	0.056	0.026	72.785	0.001	0.001	0.000	0.000	0.000	0.000
460	A	638	LEU	0	-0.016	0.010	72.923	0.000	0.000	0.000	0.000	0.000	0.000
461	A	639	VAL	0	-0.007	-0.018	71.056	0.000	0.000	0.000	0.000	0.000	0.000
462	A	640	ASP	-1	-0.777	-0.879	71.503	0.020	0.020	0.000	0.000	0.000	0.000
463	A	641	GLU	-1	-0.847	-0.938	65.956	0.025	0.025	0.000	0.000	0.000	0.000
464	A	642	ILE	0	-0.017	-0.008	67.413	0.000	0.000	0.000	0.000	0.000	0.000
465	A	643	GLH	0	-0.030	-0.053	71.321	0.000	0.000	0.000	0.000	0.000	0.000
466	A	644	VAL	0	-0.008	0.011	73.470	0.000	0.000	0.000	0.000	0.000	0.000
467	A	645	TRP	0	-0.002	-0.009	67.156	0.000	0.000	0.000	0.000	0.000	0.000
468	A	646	LEU	0	-0.023	-0.013	73.868	0.000	0.000	0.000	0.000	0.000	0.000
469	A	647	ALA	0	0.006	-0.006	75.857	0.000	0.000	0.000	0.000	0.000	0.000
470	A	648	TYR	0	0.013	-0.005	76.326	0.000	0.000	0.000	0.000	0.000	0.000
471	A	649	GLN	0	0.011	0.017	72.789	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	650	ASN	0	0.021	-0.006	78.241	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	651	LYS	1	0.846	0.928	80.959	-0.016	-0.016	0.000	0.000	0.000	0.000
474	A	652	LEU	0	0.003	0.015	80.626	0.000	0.000	0.000	0.000	0.000	0.000
475	A	653	LYS	1	0.873	0.949	81.849	-0.018	-0.018	0.000	0.000	0.000	0.000
476	A	654	LYS	1	0.933	0.959	82.955	-0.015	-0.015	0.000	0.000	0.000	0.000
477	A	655	SER	0	-0.023	-0.010	85.966	0.000	0.000	0.000	0.000	0.000	0.000
478	A	656	LEU	0	0.000	-0.004	80.325	0.000	0.000	0.000	0.000	0.000	0.000
479	A	657	GLY	0	-0.001	0.008	82.235	0.000	0.000	0.000	0.000	0.000	0.000
480	A	658	LEU	0	-0.029	-0.007	78.213	0.000	0.000	0.000	0.000	0.000	0.000
481	A	659	THR	0	-0.075	-0.071	79.468	0.000	0.000	0.000	0.000	0.000	0.000
482	A	660	SER	0	-0.041	-0.038	75.317	0.000	0.000	0.000	0.000	0.000	0.000
483	A	661	VAL	0	-0.066	-0.019	76.823	0.000	0.000	0.000	0.000	0.000	0.000
484	A	662	THR	0	-0.033	-0.044	78.239	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	663	SER	0	0.006	-0.032	80.669	0.000	0.000	0.000	0.000	0.000	0.000
486	A	664	GLU	-1	-0.905	-0.911	82.663	0.014	0.014	0.000	0.000	0.000	0.000
487	A	665	MET	0	-0.058	-0.020	78.787	0.001	0.001	0.000	0.000	0.000	0.000
488	A	666	ARG	1	0.855	0.924	80.074	-0.014	-0.014	0.000	0.000	0.000	0.000
489	A	667	PHE	0	-0.006	-0.007	77.867	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	668	PHE	0	0.052	0.000	80.139	0.000	0.000	0.000	0.000	0.000	0.000
491	A	669	ASP	-1	-0.903	-0.948	81.958	0.014	0.014	0.000	0.000	0.000	0.000
492	A	670	VAL	0	-0.043	-0.030	77.853	0.000	0.000	0.000	0.000	0.000	0.000
493	A	671	SER	0	-0.046	-0.027	77.688	0.000	0.000	0.000	0.000	0.000	0.000
494	A	672	GLY	0	0.051	0.032	77.617	0.001	0.001	0.000	0.000	0.000	0.000
495	A	673	VAL	0	-0.070	-0.033	78.484	0.000	0.000	0.000	0.000	0.000	0.000
496	A	674	THR	0	-0.044	-0.050	81.064	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	675	VAL	0	0.034	-0.013	84.488	0.000	0.000	0.000	0.000	0.000	0.000
498	A	676	THR	0	0.040	0.015	85.985	0.000	0.000	0.000	0.000	0.000	0.000
499	A	677	ASP	-1	-0.748	-0.817	81.084	0.018	0.018	0.000	0.000	0.000	0.000
500	A	678	LEU	0	-0.018	-0.006	81.718	0.001	0.001	0.000	0.000	0.000	0.000
501	A	679	GLN	0	-0.017	-0.012	83.846	0.000	0.000	0.000	0.000	0.000	0.000
502	A	680	ASP	-1	-0.853	-0.926	82.964	0.018	0.018	0.000	0.000	0.000	0.000
503	A	681	ALA	0	-0.053	-0.021	79.939	0.001	0.001	0.000	0.000	0.000	0.000
504	A	682	GLU	-1	-0.823	-0.918	81.386	0.017	0.017	0.000	0.000	0.000	0.000
505	A	683	LEU	0	-0.041	-0.020	83.876	0.000	0.000	0.000	0.000	0.000	0.000
506	A	684	GLN	0	0.017	0.001	78.362	0.001	0.001	0.000	0.000	0.000	0.000
507	A	685	VAL	0	-0.004	0.012	77.967	0.001	0.001	0.000	0.000	0.000	0.000
508	A	686	LYS	1	0.854	0.920	80.162	-0.018	-0.018	0.000	0.000	0.000	0.000
509	A	687	ALA	0	-0.041	-0.012	82.361	0.000	0.000	0.000	0.000	0.000	0.000
510	A	688	ALA	0	0.022	0.010	77.292	0.000	0.000	0.000	0.000	0.000	0.000
511	A	689	GLU	-1	-0.750	-0.822	78.657	0.021	0.021	0.000	0.000	0.000	0.000
512	A	690	LYS	1	0.887	0.935	79.732	-0.018	-0.018	0.000	0.000	0.000	0.000
513	A	691	SER	0	-0.005	0.002	79.126	0.000	0.000	0.000	0.000	0.000	0.000
514	A	692	GLU	-1	-0.849	-0.930	74.826	0.025	0.025	0.000	0.000	0.000	0.000
515	A	693	PHE	0	-0.037	-0.005	75.683	0.001	0.001	0.000	0.000	0.000	0.000
516	A	694	ARG	1	0.858	0.899	75.805	-0.022	-0.022	0.000	0.000	0.000	0.000
517	A	695	GLU	-1	-0.758	-0.862	73.208	0.028	0.028	0.000	0.000	0.000	0.000
518	A	696	TRP	0	-0.022	-0.009	70.171	0.001	0.001	0.000	0.000	0.000	0.000
519	A	697	ILE	0	-0.025	-0.017	70.964	0.001	0.001	0.000	0.000	0.000	0.000
520	A	698	LEU	0	0.008	0.013	70.448	0.001	0.001	0.000	0.000	0.000	0.000
521	A	699	GLN	0	-0.009	-0.009	65.628	0.002	0.002	0.000	0.000	0.000	0.000
522	A	700	TRP	0	-0.004	0.021	66.588	0.001	0.001	0.000	0.000	0.000	0.000
523	A	701	GLY	0	0.057	0.023	65.201	0.000	0.000	0.000	0.000	0.000	0.000
524	A	702	PRO	0	0.064	0.012	65.922	0.000	0.000	0.000	0.000	0.000	0.000
525	A	703	LEU	0	0.007	0.015	68.263	0.000	0.000	0.000	0.000	0.000	0.000
526	A	704	HIS	0	-0.022	-0.012	64.674	0.001	0.001	0.000	0.000	0.000	0.000
527	A	705	ARG	1	0.864	0.930	63.103	-0.034	-0.034	0.000	0.000	0.000	0.000
528	A	706	VAL	0	0.000	-0.002	66.719	0.000	0.000	0.000	0.000	0.000	0.000
529	A	707	LEU	0	-0.037	-0.025	68.844	0.000	0.000	0.000	0.000	0.000	0.000
530	A	708	GLU	-1	-0.856	-0.918	63.318	0.036	0.036	0.000	0.000	0.000	0.000
531	A	709	ARG	1	0.848	0.918	67.057	-0.029	-0.029	0.000	0.000	0.000	0.000
532	A	710	LYS	1	0.830	0.911	69.035	-0.025	-0.025	0.000	0.000	0.000	0.000
533	A	711	ALA	0	-0.066	-0.039	70.259	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	712	PRO	0	0.056	0.043	65.951	0.001	0.001	0.000	0.000	0.000	0.000
535	A	713	GLU	-1	-0.923	-0.969	65.492	0.033	0.033	0.000	0.000	0.000	0.000
536	A	714	ARG	1	0.929	0.956	65.911	-0.028	-0.028	0.000	0.000	0.000	0.000
537	A	715	VAL	0	0.020	0.010	64.370	0.001	0.001	0.000	0.000	0.000	0.000
538	A	716	ASN	0	-0.048	-0.014	59.436	0.001	0.001	0.000	0.000	0.000	0.000
539	A	717	ALA	0	0.056	0.038	61.495	0.001	0.001	0.000	0.000	0.000	0.000
540	A	718	LEU	0	-0.026	-0.015	62.708	0.001	0.001	0.000	0.000	0.000	0.000
541	A	719	ARG	1	0.828	0.898	59.553	-0.038	-0.038	0.000	0.000	0.000	0.000
542	A	720	GLU	-1	-0.840	-0.934	57.543	0.046	0.046	0.000	0.000	0.000	0.000
543	A	721	LYS	1	0.789	0.878	58.281	-0.038	-0.038	0.000	0.000	0.000	0.000
544	A	722	GLN	0	-0.017	0.001	59.219	0.000	0.000	0.000	0.000	0.000	0.000
545	A	723	ILE	0	0.003	-0.004	53.632	0.001	0.001	0.000	0.000	0.000	0.000
546	A	724	SER	0	0.016	0.021	55.652	0.001	0.001	0.000	0.000	0.000	0.000
547	A	725	ASP	-1	-0.778	-0.887	56.833	0.042	0.042	0.000	0.000	0.000	0.000
548	A	726	TYR	0	-0.034	-0.002	50.710	0.000	0.000	0.000	0.000	0.000	0.000
549	A	727	GLU	-1	-0.903	-0.943	51.185	0.060	0.060	0.000	0.000	0.000	0.000
550	A	728	GLU	-1	-0.919	-0.976	54.030	0.054	0.054	0.000	0.000	0.000	0.000
551	A	729	THR	0	-0.070	-0.043	56.602	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	730	TYR	0	-0.058	-0.062	49.042	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	731	ARG	1	0.862	0.913	51.597	-0.058	-0.058	0.000	0.000	0.000	0.000
554	A	732	MET	0	0.014	0.021	54.054	0.000	0.000	0.000	0.000	0.000	0.000
555	A	733	LEU	0	0.026	0.029	56.512	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	734	SER	0	0.018	0.006	50.800	0.000	0.000	0.000	0.000	0.000	0.000
557	A	735	ASP	-1	-0.805	-0.883	53.412	0.057	0.057	0.000	0.000	0.000	0.000
558	A	736	THR	0	-0.075	-0.075	55.291	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	737	GLU	-1	-0.799	-0.848	57.369	0.042	0.042	0.000	0.000	0.000	0.000
560	A	738	LEU	0	-0.024	-0.017	51.469	0.000	0.000	0.000	0.000	0.000	0.000
561	A	739	ARG	1	0.823	0.900	52.058	-0.054	-0.054	0.000	0.000	0.000	0.000
562	A	740	PRO	0	-0.054	-0.019	53.441	0.000	0.000	0.000	0.000	0.000	0.000
563	A	741	SER	0	-0.041	0.005	54.785	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	742	GLY	0	-0.014	0.006	51.876	0.000	0.000	0.000	0.000	0.000	0.000
565	A	743	LEU	0	0.017	-0.041	49.980	0.001	0.001	0.000	0.000	0.000	0.000
566	A	744	VAL	0	-0.013	0.001	47.261	0.001	0.001	0.000	0.000	0.000	0.000
567	A	745	GLY	0	0.021	0.031	44.971	0.002	0.002	0.000	0.000	0.000	0.000
568	A	746	ASN	0	-0.029	-0.019	45.314	0.000	0.000	0.000	0.000	0.000	0.000
569	A	747	THR	0	0.130	0.056	43.570	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	748	ASP	-1	-0.846	-0.894	46.815	0.058	0.058	0.000	0.000	0.000	0.000
571	A	749	ALA	0	-0.004	-0.005	50.137	-0.003	-0.003	0.000	0.000	0.000	0.000
572	A	750	GLU	-1	-0.805	-0.897	46.738	0.068	0.068	0.000	0.000	0.000	0.000
573	A	751	ARG	1	0.813	0.899	47.940	-0.059	-0.059	0.000	0.000	0.000	0.000
574	A	752	THR	0	-0.038	-0.026	51.600	-0.002	-0.002	0.000	0.000	0.000	0.000
575	A	753	ILE	0	-0.024	-0.007	52.508	-0.002	-0.002	0.000	0.000	0.000	0.000
576	A	754	GLY	0	0.060	0.038	52.891	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	755	ALA	0	-0.025	-0.015	53.877	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	756	ARG	1	0.772	0.827	56.338	-0.045	-0.045	0.000	0.000	0.000	0.000
579	A	757	ALA	0	0.012	0.012	55.959	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	758	MET	0	-0.003	-0.003	55.334	0.000	0.000	0.000	0.000	0.000	0.000
581	A	759	GLU	-1	-0.857	-0.898	58.081	0.037	0.037	0.000	0.000	0.000	0.000
582	A	760	SER	0	-0.003	0.008	61.256	-0.002	-0.002	0.000	0.000	0.000	0.000
583	A	761	ALA	0	0.040	0.022	59.528	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	762	LYS	1	0.862	0.924	61.393	-0.038	-0.038	0.000	0.000	0.000	0.000
585	A	763	LYS	1	0.863	0.909	62.874	-0.033	-0.033	0.000	0.000	0.000	0.000
586	A	764	THR	0	-0.032	-0.020	64.505	-0.002	-0.002	0.000	0.000	0.000	0.000
587	A	765	PHE	0	0.002	0.003	63.299	-0.001	-0.001	0.000	0.000	0.000	0.000
588	A	766	LEU	0	-0.027	-0.022	65.430	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	767	ASP	-1	-0.812	-0.879	68.244	0.030	0.030	0.000	0.000	0.000	0.000
590	A	768	GLY	0	-0.026	0.003	68.841	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	769	LEU	0	0.003	-0.011	66.617	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	770	ARG	1	0.763	0.849	70.364	-0.030	-0.030	0.000	0.000	0.000	0.000
593	A	771	PRO	0	-0.006	-0.003	73.039	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	772	LEU	0	-0.014	0.000	70.341	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	773	VAL	0	0.009	0.001	72.552	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	774	GLU	-1	-0.856	-0.905	75.206	0.022	0.022	0.000	0.000	0.000	0.000
597	A	775	GLU	-1	-0.958	-0.973	77.701	0.022	0.022	0.000	0.000	0.000	0.000
598	A	776	MET	0	-0.057	-0.014	73.361	0.000	0.000	0.000	0.000	0.000	0.000
599	A	777	LEU	0	0.009	-0.027	75.929	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	778	GLY	0	0.075	0.056	79.426	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	779	SER	0	-0.076	-0.041	82.087	0.000	0.000	0.000	0.000	0.000	0.000
602	A	780	TYR	0	-0.034	-0.030	81.271	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	781	LEU	0	-0.034	-0.006	78.340	0.000	0.000	0.000	0.000	0.000	0.000
604	A	782	ASN	0	-0.065	-0.021	82.622	0.000	0.000	0.000	0.000	0.000	0.000
605	A	783	VAL	0	0.000	0.001	85.734	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:171:ALA)