FMO DATABASE

FMODB ID: YNYK2

Calculation Name: 4BOC-A-Xray372

Preferred Name: DNA-directed RNA polymerase, mitochondrial

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 4BOC

Chain ID: A

ChEMBL ID: CHEMBL3120041

UniProt ID: O00411

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	992
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-29959630.275387
FMO2-HF: Nuclear repulsion	29562277.780323
FMO2-HF: Total energy	-397352.495064
FMO2-MP2: Total energy	-398501.817457

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:218:GLN)

Summations of interaction energy for fragment #1(A:218:GLN)

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.
-4.125	-2.963	-0.015	-0.502	-0.645	0.003

Interaction energy analysis for fragmet #1(A:218:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.006 / q_NPA : -0.015

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	220	SER	0	0.067	0.012	3.869	1.586	2.776	-0.014	-0.494	-0.682	0.003
4	A	221	GLY	0	0.012	0.005	6.296	-0.522	-0.522	0.000	0.000	0.000	0.000
5	A	222	GLN	0	0.002	-0.006	9.669	-0.307	-0.307	0.000	0.000	0.000	0.000
6	A	223	GLN	0	0.055	0.026	5.108	0.071	0.043	-0.001	-0.008	0.037	0.000
7	A	224	GLN	0	-0.005	-0.006	7.859	-0.369	-0.369	0.000	0.000	0.000	0.000
8	A	225	ARG	1	0.835	0.918	10.676	-0.946	-0.946	0.000	0.000	0.000	0.000
9	A	226	LEU	0	0.028	0.012	11.878	-0.065	-0.065	0.000	0.000	0.000	0.000
10	A	227	LEU	0	0.031	0.018	9.488	-0.043	-0.043	0.000	0.000	0.000	0.000
11	A	228	ALA	0	-0.038	-0.017	12.683	-0.033	-0.033	0.000	0.000	0.000	0.000
12	A	229	PHE	0	0.020	-0.004	15.567	-0.035	-0.035	0.000	0.000	0.000	0.000
13	A	230	PHE	0	0.034	0.007	14.128	-0.029	-0.029	0.000	0.000	0.000	0.000
14	A	231	LYS	1	0.956	0.973	13.450	-0.509	-0.509	0.000	0.000	0.000	0.000
15	A	232	CYS	0	-0.044	0.008	18.063	-0.023	-0.023	0.000	0.000	0.000	0.000
16	A	233	CYS	0	0.000	0.011	20.733	-0.019	-0.019	0.000	0.000	0.000	0.000
17	A	234	LEU	0	-0.044	-0.005	19.514	-0.019	-0.019	0.000	0.000	0.000	0.000
18	A	235	LEU	0	-0.085	-0.031	22.541	-0.011	-0.011	0.000	0.000	0.000	0.000
19	A	236	THR	0	-0.052	-0.044	24.999	-0.010	-0.010	0.000	0.000	0.000	0.000
20	A	237	ASP	-1	-0.809	-0.882	26.012	0.081	0.081	0.000	0.000	0.000	0.000
21	A	238	GLN	0	-0.004	-0.004	25.495	0.002	0.002	0.000	0.000	0.000	0.000
22	A	239	LEU	0	0.021	0.013	22.661	0.008	0.008	0.000	0.000	0.000	0.000
23	A	240	PRO	0	0.034	0.014	24.394	-0.007	-0.007	0.000	0.000	0.000	0.000
24	A	241	LEU	0	0.001	0.015	24.040	-0.004	-0.004	0.000	0.000	0.000	0.000
25	A	242	ALA	0	0.019	-0.017	20.336	0.003	0.003	0.000	0.000	0.000	0.000
26	A	243	HIS	0	0.021	0.016	20.354	-0.006	-0.006	0.000	0.000	0.000	0.000
27	A	244	HIS	0	-0.022	-0.010	21.634	-0.032	-0.032	0.000	0.000	0.000	0.000
28	A	245	LEU	0	0.012	0.020	18.068	-0.009	-0.009	0.000	0.000	0.000	0.000
29	A	246	LEU	0	-0.019	-0.009	15.264	-0.015	-0.015	0.000	0.000	0.000	0.000
30	A	247	VAL	0	0.037	0.007	18.118	-0.043	-0.043	0.000	0.000	0.000	0.000
31	A	248	VAL	0	0.006	0.033	20.598	-0.023	-0.023	0.000	0.000	0.000	0.000
32	A	249	HIS	0	-0.103	-0.064	14.267	0.029	0.029	0.000	0.000	0.000	0.000
33	A	250	HIS	1	0.841	0.901	16.191	0.232	0.232	0.000	0.000	0.000	0.000
34	A	251	GLY	0	0.029	0.025	17.422	-0.039	-0.039	0.000	0.000	0.000	0.000
35	A	252	GLN	0	0.049	0.029	18.462	0.018	0.018	0.000	0.000	0.000	0.000
36	A	253	ARG	1	1.007	0.995	16.737	0.197	0.197	0.000	0.000	0.000	0.000
37	A	254	GLN	0	-0.007	-0.021	13.723	-0.100	-0.100	0.000	0.000	0.000	0.000
38	A	255	LYS	1	0.847	0.952	13.057	-0.082	-0.082	0.000	0.000	0.000	0.000
39	A	256	ARG	1	0.945	0.978	12.821	0.314	0.314	0.000	0.000	0.000	0.000
40	A	257	LYS	1	0.919	0.957	9.140	0.335	0.335	0.000	0.000	0.000	0.000
41	A	258	LEU	0	-0.022	-0.003	8.174	-0.175	-0.175	0.000	0.000	0.000	0.000
42	A	259	LEU	0	-0.022	-0.007	9.133	0.027	0.027	0.000	0.000	0.000	0.000
43	A	260	THR	0	-0.015	-0.018	6.168	-0.355	-0.355	0.000	0.000	0.000	0.000
44	A	261	LEU	0	0.074	0.040	8.717	0.157	0.157	0.000	0.000	0.000	0.000
45	A	262	ASP	-1	-0.857	-0.935	9.408	0.373	0.373	0.000	0.000	0.000	0.000
46	A	263	MET	0	-0.120	-0.044	8.691	0.057	0.057	0.000	0.000	0.000	0.000
47	A	264	TYR	0	0.079	0.038	12.372	0.058	0.058	0.000	0.000	0.000	0.000
48	A	265	ASN	0	0.056	0.024	14.092	-0.012	-0.012	0.000	0.000	0.000	0.000
49	A	266	ALA	0	-0.047	-0.002	15.245	0.022	0.022	0.000	0.000	0.000	0.000
50	A	267	VAL	0	0.018	0.006	17.012	0.006	0.006	0.000	0.000	0.000	0.000
51	A	268	MET	0	-0.003	-0.001	17.551	0.002	0.002	0.000	0.000	0.000	0.000
52	A	269	LEU	0	0.004	-0.003	19.643	0.000	0.000	0.000	0.000	0.000	0.000
53	A	270	GLY	0	-0.003	-0.015	21.366	0.006	0.006	0.000	0.000	0.000	0.000
54	A	271	TRP	0	0.032	-0.005	22.780	0.005	0.005	0.000	0.000	0.000	0.000
55	A	272	ALA	0	-0.024	-0.013	24.225	-0.003	-0.003	0.000	0.000	0.000	0.000
56	A	273	ARG	1	0.838	0.904	23.115	-0.126	-0.126	0.000	0.000	0.000	0.000
57	A	274	GLN	0	-0.051	-0.031	27.591	-0.008	-0.008	0.000	0.000	0.000	0.000
58	A	275	GLY	0	0.018	0.024	29.114	-0.003	-0.003	0.000	0.000	0.000	0.000
59	A	276	ALA	0	-0.001	0.004	27.966	-0.007	-0.007	0.000	0.000	0.000	0.000
60	A	277	PHE	0	0.023	-0.026	27.540	-0.007	-0.007	0.000	0.000	0.000	0.000
61	A	278	LYS	1	0.970	0.980	27.696	0.035	0.035	0.000	0.000	0.000	0.000
62	A	279	GLU	-1	-0.865	-0.937	25.605	-0.021	-0.021	0.000	0.000	0.000	0.000
63	A	280	LEU	0	-0.011	0.004	23.041	-0.011	-0.011	0.000	0.000	0.000	0.000
64	A	281	VAL	0	-0.001	-0.010	22.814	-0.021	-0.021	0.000	0.000	0.000	0.000
65	A	282	TYR	0	-0.014	-0.006	23.785	-0.025	-0.025	0.000	0.000	0.000	0.000
66	A	283	VAL	0	-0.001	-0.015	18.361	-0.022	-0.022	0.000	0.000	0.000	0.000
67	A	284	LEU	0	0.011	-0.005	18.965	-0.038	-0.038	0.000	0.000	0.000	0.000
68	A	285	PHE	0	-0.017	0.004	19.860	-0.037	-0.037	0.000	0.000	0.000	0.000
69	A	286	MET	0	-0.008	0.002	17.895	-0.032	-0.032	0.000	0.000	0.000	0.000
70	A	287	VAL	0	0.003	0.001	14.404	-0.053	-0.053	0.000	0.000	0.000	0.000
71	A	288	LYS	1	1.001	0.995	15.489	0.155	0.155	0.000	0.000	0.000	0.000
72	A	289	ASP	-1	-0.893	-0.924	18.088	-0.319	-0.319	0.000	0.000	0.000	0.000
73	A	290	ALA	0	-0.118	-0.050	13.145	-0.017	-0.017	0.000	0.000	0.000	0.000
74	A	291	GLY	0	-0.047	-0.011	13.891	-0.045	-0.045	0.000	0.000	0.000	0.000
75	A	292	LEU	0	-0.062	-0.040	8.992	-0.081	-0.081	0.000	0.000	0.000	0.000
76	A	293	THR	0	0.064	0.022	13.009	0.027	0.027	0.000	0.000	0.000	0.000
77	A	294	PRO	0	-0.066	-0.022	13.989	0.004	0.004	0.000	0.000	0.000	0.000
78	A	295	ASP	-1	-0.751	-0.889	13.737	-0.080	-0.080	0.000	0.000	0.000	0.000
79	A	296	LEU	0	0.020	-0.003	15.878	0.020	0.020	0.000	0.000	0.000	0.000
80	A	297	LEU	0	0.001	0.005	14.907	0.013	0.013	0.000	0.000	0.000	0.000
81	A	298	SER	0	-0.026	-0.024	16.226	-0.007	-0.007	0.000	0.000	0.000	0.000
82	A	299	TYR	0	0.022	-0.001	18.494	0.015	0.015	0.000	0.000	0.000	0.000
83	A	300	ALA	0	0.008	0.012	20.956	0.008	0.008	0.000	0.000	0.000	0.000
84	A	301	ALA	0	-0.011	-0.004	20.713	0.010	0.010	0.000	0.000	0.000	0.000
85	A	302	ALA	0	0.017	-0.009	22.651	0.005	0.005	0.000	0.000	0.000	0.000
86	A	303	LEU	0	0.036	0.010	24.818	0.005	0.005	0.000	0.000	0.000	0.000
87	A	304	GLN	0	0.022	0.037	24.772	0.006	0.006	0.000	0.000	0.000	0.000
88	A	305	CYS	0	-0.028	0.011	26.801	0.006	0.006	0.000	0.000	0.000	0.000
89	A	306	MET	0	-0.034	-0.011	27.662	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	307	GLY	0	0.025	0.034	30.681	0.000	0.000	0.000	0.000	0.000	0.000
91	A	308	ARG	1	0.830	0.899	28.721	-0.045	-0.045	0.000	0.000	0.000	0.000
92	A	309	GLN	0	-0.035	-0.019	32.426	0.008	0.008	0.000	0.000	0.000	0.000
93	A	310	ASP	-1	-0.997	-0.978	34.563	-0.010	-0.010	0.000	0.000	0.000	0.000
94	A	311	GLN	0	-0.020	-0.006	32.165	-0.007	-0.007	0.000	0.000	0.000	0.000
95	A	312	ASP	-1	-0.802	-0.877	35.353	-0.049	-0.049	0.000	0.000	0.000	0.000
96	A	313	ALA	0	-0.005	-0.033	35.344	-0.003	-0.003	0.000	0.000	0.000	0.000
97	A	314	GLY	0	0.037	0.029	35.215	-0.004	-0.004	0.000	0.000	0.000	0.000
98	A	315	THR	0	-0.077	-0.071	30.789	-0.012	-0.012	0.000	0.000	0.000	0.000
99	A	316	ILE	0	-0.020	-0.014	30.688	-0.008	-0.008	0.000	0.000	0.000	0.000
100	A	317	GLU	-1	-0.887	-0.956	30.395	-0.089	-0.089	0.000	0.000	0.000	0.000
101	A	318	ARG	1	0.979	1.006	29.772	0.086	0.086	0.000	0.000	0.000	0.000
102	A	319	CYS	0	-0.084	-0.032	26.024	-0.016	-0.016	0.000	0.000	0.000	0.000
103	A	320	LEU	0	-0.013	-0.024	26.059	-0.008	-0.008	0.000	0.000	0.000	0.000
104	A	321	GLU	-1	-0.867	-0.931	27.812	-0.108	-0.108	0.000	0.000	0.000	0.000
105	A	322	GLN	0	-0.067	-0.026	22.369	-0.005	-0.005	0.000	0.000	0.000	0.000
106	A	323	MET	0	-0.055	-0.031	22.561	-0.016	-0.016	0.000	0.000	0.000	0.000
107	A	324	SER	0	0.008	-0.006	23.054	-0.012	-0.012	0.000	0.000	0.000	0.000
108	A	325	GLN	0	-0.048	-0.017	24.976	-0.012	-0.012	0.000	0.000	0.000	0.000
109	A	326	GLU	-1	-0.952	-0.965	18.508	-0.362	-0.362	0.000	0.000	0.000	0.000
110	A	327	GLY	0	-0.009	0.011	19.896	-0.029	-0.029	0.000	0.000	0.000	0.000
111	A	328	LEU	0	-0.070	-0.027	17.267	0.025	0.025	0.000	0.000	0.000	0.000
112	A	329	LYS	1	0.962	0.971	21.402	0.139	0.139	0.000	0.000	0.000	0.000
113	A	330	LEU	0	0.086	0.026	23.452	0.012	0.012	0.000	0.000	0.000	0.000
114	A	331	GLN	0	0.004	-0.009	25.917	0.018	0.018	0.000	0.000	0.000	0.000
115	A	332	ALA	0	-0.010	0.004	21.222	0.013	0.013	0.000	0.000	0.000	0.000
116	A	333	LEU	0	0.000	0.015	21.255	0.018	0.018	0.000	0.000	0.000	0.000
117	A	334	PHE	0	-0.005	-0.027	22.082	0.021	0.021	0.000	0.000	0.000	0.000
118	A	335	THR	0	-0.043	-0.006	23.153	0.014	0.014	0.000	0.000	0.000	0.000
119	A	336	ALA	0	0.012	0.011	17.624	0.024	0.024	0.000	0.000	0.000	0.000
120	A	337	VAL	0	-0.038	-0.007	17.951	0.038	0.038	0.000	0.000	0.000	0.000
121	A	338	LEU	0	-0.024	-0.005	16.925	0.002	0.002	0.000	0.000	0.000	0.000
122	A	339	LEU	0	0.016	0.003	20.535	-0.006	-0.006	0.000	0.000	0.000	0.000
123	A	340	SER	0	0.032	0.021	23.620	0.002	0.002	0.000	0.000	0.000	0.000
124	A	341	GLU	-1	-0.912	-0.968	26.776	0.077	0.077	0.000	0.000	0.000	0.000
125	A	342	GLU	-1	-0.894	-0.937	29.905	0.065	0.065	0.000	0.000	0.000	0.000
126	A	343	ASP	-1	-0.827	-0.919	24.364	0.095	0.095	0.000	0.000	0.000	0.000
127	A	344	ARG	1	0.888	0.932	26.713	-0.124	-0.124	0.000	0.000	0.000	0.000
128	A	345	ALA	0	0.045	0.026	28.394	-0.012	-0.012	0.000	0.000	0.000	0.000
129	A	346	THR	0	-0.021	-0.031	29.838	-0.008	-0.008	0.000	0.000	0.000	0.000
130	A	347	VAL	0	-0.013	0.000	25.673	-0.010	-0.010	0.000	0.000	0.000	0.000
131	A	348	LEU	0	-0.016	-0.012	28.996	-0.010	-0.010	0.000	0.000	0.000	0.000
132	A	349	LYS	1	0.954	0.999	31.841	-0.015	-0.015	0.000	0.000	0.000	0.000
133	A	350	ALA	0	0.016	0.012	30.661	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	351	VAL	0	0.013	0.001	29.436	-0.008	-0.008	0.000	0.000	0.000	0.000
135	A	352	HIS	0	-0.034	-0.015	32.459	-0.004	-0.004	0.000	0.000	0.000	0.000
136	A	353	LYS	1	0.936	0.982	35.536	0.026	0.026	0.000	0.000	0.000	0.000
137	A	354	VAL	0	-0.018	-0.010	33.950	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	355	LYS	1	0.931	0.959	33.202	0.060	0.060	0.000	0.000	0.000	0.000
139	A	356	PRO	0	0.052	0.029	35.948	0.005	0.005	0.000	0.000	0.000	0.000
140	A	357	THR	0	-0.019	-0.013	38.653	0.004	0.004	0.000	0.000	0.000	0.000
141	A	358	PHE	0	-0.003	0.009	29.017	-0.004	-0.004	0.000	0.000	0.000	0.000
142	A	359	SER	0	0.008	-0.003	35.068	0.006	0.006	0.000	0.000	0.000	0.000
143	A	360	LEU	0	-0.024	-0.009	31.384	-0.004	-0.004	0.000	0.000	0.000	0.000
144	A	361	PRO	0	-0.001	-0.015	29.561	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	362	PRO	0	0.021	0.026	32.847	0.006	0.006	0.000	0.000	0.000	0.000
146	A	363	GLN	0	-0.043	-0.033	32.059	0.013	0.013	0.000	0.000	0.000	0.000
147	A	364	LEU	0	0.042	0.017	32.693	-0.004	-0.004	0.000	0.000	0.000	0.000
148	A	365	PRO	0	0.004	0.013	35.575	0.002	0.002	0.000	0.000	0.000	0.000
149	A	366	PRO	0	0.047	0.032	35.616	0.003	0.003	0.000	0.000	0.000	0.000
150	A	367	PRO	0	-0.007	0.003	33.446	-0.005	-0.005	0.000	0.000	0.000	0.000
151	A	368	VAL	0	0.011	-0.011	36.229	0.008	0.008	0.000	0.000	0.000	0.000
152	A	369	ASN	0	-0.006	-0.020	34.780	-0.010	-0.010	0.000	0.000	0.000	0.000
153	A	370	THR	0	0.026	0.006	37.118	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	371	SER	0	-0.006	0.007	36.481	-0.008	-0.008	0.000	0.000	0.000	0.000
155	A	372	LYS	1	0.963	0.973	38.293	-0.047	-0.047	0.000	0.000	0.000	0.000
156	A	373	LEU	0	-0.020	-0.006	39.372	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	374	LEU	0	0.029	0.004	36.532	0.001	0.001	0.000	0.000	0.000	0.000
158	A	375	ARG	1	0.984	1.007	40.783	-0.051	-0.051	0.000	0.000	0.000	0.000
159	A	376	ASP	-1	-0.749	-0.854	42.668	0.064	0.064	0.000	0.000	0.000	0.000
160	A	377	VAL	0	-0.060	-0.026	41.664	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	378	TYR	0	-0.063	-0.068	38.355	0.001	0.001	0.000	0.000	0.000	0.000
162	A	379	ALA	0	-0.058	-0.009	43.051	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	380	LYS	1	1.001	0.995	42.936	-0.055	-0.055	0.000	0.000	0.000	0.000
164	A	381	ASP	-1	-0.912	-0.939	48.353	0.040	0.040	0.000	0.000	0.000	0.000
165	A	382	GLY	0	-0.017	-0.024	50.559	0.002	0.002	0.000	0.000	0.000	0.000
166	A	383	ARG	1	0.925	0.966	52.625	-0.038	-0.038	0.000	0.000	0.000	0.000
167	A	384	VAL	0	-0.033	-0.005	48.954	0.001	0.001	0.000	0.000	0.000	0.000
168	A	385	SER	0	0.002	-0.009	52.349	-0.003	-0.003	0.000	0.000	0.000	0.000
169	A	386	TYR	0	-0.007	-0.009	46.168	0.002	0.002	0.000	0.000	0.000	0.000
170	A	387	PRO	0	-0.019	0.016	49.151	-0.002	-0.002	0.000	0.000	0.000	0.000
171	A	388	LYS	1	0.859	0.943	50.302	-0.064	-0.064	0.000	0.000	0.000	0.000
172	A	389	LEU	0	-0.015	-0.011	48.376	0.000	0.000	0.000	0.000	0.000	0.000
173	A	390	HIS	0	0.048	0.010	52.622	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	391	LEU	0	-0.060	-0.028	51.856	-0.002	-0.002	0.000	0.000	0.000	0.000
175	A	392	PRO	0	0.052	0.040	54.295	0.001	0.001	0.000	0.000	0.000	0.000
176	A	393	LEU	0	0.047	-0.009	50.544	0.004	0.004	0.000	0.000	0.000	0.000
177	A	394	LYS	1	0.975	0.971	52.276	-0.054	-0.054	0.000	0.000	0.000	0.000
178	A	395	THR	0	-0.010	0.004	53.689	0.002	0.002	0.000	0.000	0.000	0.000
179	A	396	LEU	0	0.050	0.015	49.064	0.004	0.004	0.000	0.000	0.000	0.000
180	A	397	GLN	0	0.018	0.010	48.633	0.003	0.003	0.000	0.000	0.000	0.000
181	A	398	CYS	0	-0.033	-0.010	48.710	0.003	0.003	0.000	0.000	0.000	0.000
182	A	399	LEU	0	-0.047	-0.016	48.452	0.003	0.003	0.000	0.000	0.000	0.000
183	A	400	PHE	0	0.046	0.012	41.215	0.005	0.005	0.000	0.000	0.000	0.000
184	A	401	GLU	-1	-0.820	-0.917	44.631	0.099	0.099	0.000	0.000	0.000	0.000
185	A	402	LYS	1	0.906	0.952	45.949	-0.085	-0.085	0.000	0.000	0.000	0.000
186	A	403	GLN	0	0.009	0.002	39.762	-0.002	-0.002	0.000	0.000	0.000	0.000
187	A	404	LEU	0	0.032	0.011	39.791	0.008	0.008	0.000	0.000	0.000	0.000
188	A	405	HIS	0	-0.035	-0.018	41.398	0.008	0.008	0.000	0.000	0.000	0.000
189	A	406	MET	0	-0.003	0.000	41.711	0.004	0.004	0.000	0.000	0.000	0.000
190	A	407	GLU	-1	-0.724	-0.873	36.517	0.175	0.175	0.000	0.000	0.000	0.000
191	A	408	LEU	0	-0.033	-0.006	37.704	0.008	0.008	0.000	0.000	0.000	0.000
192	A	409	ALA	0	-0.039	-0.010	38.843	0.004	0.004	0.000	0.000	0.000	0.000
193	A	410	SER	0	-0.034	-0.017	36.022	0.008	0.008	0.000	0.000	0.000	0.000
194	A	411	ARG	1	0.872	0.933	37.925	-0.154	-0.154	0.000	0.000	0.000	0.000
195	A	412	VAL	0	0.003	0.013	40.803	-0.007	-0.007	0.000	0.000	0.000	0.000
196	A	413	CYS	0	-0.064	-0.033	43.817	0.003	0.003	0.000	0.000	0.000	0.000
197	A	414	VAL	0	0.032	0.018	46.757	-0.004	-0.004	0.000	0.000	0.000	0.000
198	A	415	VAL	0	0.020	0.006	48.822	0.002	0.002	0.000	0.000	0.000	0.000
199	A	416	SER	0	-0.035	-0.017	50.997	0.000	0.000	0.000	0.000	0.000	0.000
200	A	417	VAL	0	0.008	0.008	52.020	-0.004	-0.004	0.000	0.000	0.000	0.000
201	A	418	GLU	-1	-0.817	-0.903	53.150	0.099	0.099	0.000	0.000	0.000	0.000
202	A	419	LYS	1	0.850	1.000	53.721	-0.100	-0.100	0.000	0.000	0.000	0.000
203	A	420	PRO	0	0.041	-0.022	58.434	0.000	0.000	0.000	0.000	0.000	0.000
204	A	421	THR	0	0.020	-0.017	60.278	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	422	LEU	0	0.045	0.016	58.110	0.001	0.001	0.000	0.000	0.000	0.000
206	A	423	PRO	0	0.031	0.037	62.209	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	424	SER	0	0.056	0.008	63.155	0.002	0.002	0.000	0.000	0.000	0.000
208	A	425	LYS	1	0.930	0.950	63.500	-0.064	-0.064	0.000	0.000	0.000	0.000
209	A	426	GLU	-1	-0.872	-0.921	60.031	0.081	0.081	0.000	0.000	0.000	0.000
210	A	427	VAL	0	0.054	0.029	58.207	0.002	0.002	0.000	0.000	0.000	0.000
211	A	428	LYS	1	0.915	0.944	58.689	-0.064	-0.064	0.000	0.000	0.000	0.000
212	A	429	HIS	0	-0.029	-0.007	59.707	0.001	0.001	0.000	0.000	0.000	0.000
213	A	430	ALA	0	0.039	0.044	55.862	0.002	0.002	0.000	0.000	0.000	0.000
214	A	431	ARG	1	0.868	0.917	54.900	-0.085	-0.085	0.000	0.000	0.000	0.000
215	A	432	LYS	1	0.954	0.982	54.905	-0.069	-0.069	0.000	0.000	0.000	0.000
216	A	433	THR	0	-0.015	-0.015	53.744	0.000	0.000	0.000	0.000	0.000	0.000
217	A	434	LEU	0	0.028	0.011	48.604	0.002	0.002	0.000	0.000	0.000	0.000
218	A	435	LYS	1	0.879	0.948	50.553	-0.085	-0.085	0.000	0.000	0.000	0.000
219	A	436	THR	0	-0.003	-0.007	51.335	0.001	0.001	0.000	0.000	0.000	0.000
220	A	437	LEU	0	-0.014	-0.008	48.695	0.001	0.001	0.000	0.000	0.000	0.000
221	A	438	ARG	1	0.834	0.890	46.319	-0.117	-0.117	0.000	0.000	0.000	0.000
222	A	439	ASP	-1	-0.836	-0.905	46.641	0.100	0.100	0.000	0.000	0.000	0.000
223	A	440	GLN	0	-0.078	-0.047	47.711	0.004	0.004	0.000	0.000	0.000	0.000
224	A	441	TRP	0	-0.008	-0.031	43.016	0.004	0.004	0.000	0.000	0.000	0.000
225	A	442	GLU	-1	-0.897	-0.932	42.623	0.124	0.124	0.000	0.000	0.000	0.000
226	A	443	LYS	1	0.953	0.970	42.556	-0.090	-0.090	0.000	0.000	0.000	0.000
227	A	444	ALA	0	-0.027	-0.013	42.296	0.001	0.001	0.000	0.000	0.000	0.000
228	A	445	LEU	0	0.028	0.011	37.202	0.005	0.005	0.000	0.000	0.000	0.000
229	A	446	CYS	0	-0.047	-0.011	38.033	0.005	0.005	0.000	0.000	0.000	0.000
230	A	447	ARG	1	0.952	0.989	38.740	-0.116	-0.116	0.000	0.000	0.000	0.000
231	A	448	ALA	0	0.068	0.036	36.334	0.001	0.001	0.000	0.000	0.000	0.000
232	A	449	LEU	0	0.002	0.010	32.204	0.009	0.009	0.000	0.000	0.000	0.000
233	A	450	ARG	1	0.931	0.954	33.745	-0.114	-0.114	0.000	0.000	0.000	0.000
234	A	451	GLU	-1	-0.922	-0.959	34.784	0.135	0.135	0.000	0.000	0.000	0.000
235	A	452	THR	0	-0.069	-0.051	29.820	0.006	0.006	0.000	0.000	0.000	0.000
236	A	453	LYS	1	0.865	0.921	30.202	-0.159	-0.159	0.000	0.000	0.000	0.000
237	A	454	ASN	0	0.019	0.008	30.404	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	455	ARG	1	0.917	0.965	28.256	-0.217	-0.217	0.000	0.000	0.000	0.000
239	A	456	LEU	0	-0.015	-0.010	25.025	0.005	0.005	0.000	0.000	0.000	0.000
240	A	457	GLU	-1	-0.933	-0.938	26.142	0.123	0.123	0.000	0.000	0.000	0.000
241	A	458	ARG	1	1.025	0.996	27.674	-0.132	-0.132	0.000	0.000	0.000	0.000
242	A	459	GLU	-1	-0.985	-0.988	23.889	0.251	0.251	0.000	0.000	0.000	0.000
243	A	460	VAL	0	-0.054	-0.029	22.371	0.003	0.003	0.000	0.000	0.000	0.000
244	A	461	TYR	0	0.019	0.025	24.294	-0.019	-0.019	0.000	0.000	0.000	0.000
245	A	462	GLU	-1	-0.842	-0.887	24.902	0.083	0.083	0.000	0.000	0.000	0.000
246	A	463	GLY	0	-0.010	-0.043	21.354	0.006	0.006	0.000	0.000	0.000	0.000
247	A	464	ARG	1	0.798	0.903	16.396	-0.322	-0.322	0.000	0.000	0.000	0.000
248	A	465	PHE	0	0.045	0.008	17.109	0.005	0.005	0.000	0.000	0.000	0.000
249	A	466	SER	0	0.034	-0.014	19.189	0.013	0.013	0.000	0.000	0.000	0.000
250	A	467	LEU	0	0.010	-0.013	20.795	0.000	0.000	0.000	0.000	0.000	0.000
251	A	468	TYR	0	0.069	0.033	23.026	-0.004	-0.004	0.000	0.000	0.000	0.000
252	A	469	PRO	0	0.044	0.024	21.781	-0.006	-0.006	0.000	0.000	0.000	0.000
253	A	470	PHE	0	0.003	-0.029	18.390	0.006	0.006	0.000	0.000	0.000	0.000
254	A	471	LEU	0	-0.007	-0.008	24.530	-0.006	-0.006	0.000	0.000	0.000	0.000
255	A	472	CYS	0	-0.143	-0.046	27.405	-0.021	-0.021	0.000	0.000	0.000	0.000
256	A	473	LEU	0	0.010	0.019	23.706	-0.008	-0.008	0.000	0.000	0.000	0.000
257	A	474	LEU	0	-0.063	-0.017	28.319	-0.005	-0.005	0.000	0.000	0.000	0.000
258	A	475	ASP	-1	-0.861	-0.932	31.603	0.131	0.131	0.000	0.000	0.000	0.000
259	A	476	GLU	-1	-0.774	-0.898	34.896	0.149	0.149	0.000	0.000	0.000	0.000
260	A	477	ARG	1	0.964	0.977	36.268	-0.114	-0.114	0.000	0.000	0.000	0.000
261	A	478	GLU	-1	-0.916	-0.975	35.490	0.163	0.163	0.000	0.000	0.000	0.000
262	A	479	VAL	0	0.033	0.031	32.168	0.006	0.006	0.000	0.000	0.000	0.000
263	A	480	VAL	0	0.018	0.001	34.868	0.005	0.005	0.000	0.000	0.000	0.000
264	A	481	ARG	1	0.929	0.959	38.084	-0.137	-0.137	0.000	0.000	0.000	0.000
265	A	482	MET	0	-0.050	-0.005	31.610	0.002	0.002	0.000	0.000	0.000	0.000
266	A	483	LEU	0	-0.003	-0.004	32.956	0.004	0.004	0.000	0.000	0.000	0.000
267	A	484	LEU	0	0.019	-0.004	36.687	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	485	GLN	0	-0.004	0.013	38.352	-0.002	-0.002	0.000	0.000	0.000	0.000
269	A	486	VAL	0	0.003	-0.008	34.344	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	487	LEU	0	-0.014	-0.003	37.671	0.000	0.000	0.000	0.000	0.000	0.000
271	A	488	GLN	0	-0.068	-0.034	40.181	0.000	0.000	0.000	0.000	0.000	0.000
272	A	489	ALA	0	0.000	-0.001	39.812	-0.005	-0.005	0.000	0.000	0.000	0.000
273	A	490	LEU	0	-0.015	0.015	36.426	0.005	0.005	0.000	0.000	0.000	0.000
274	A	491	PRO	0	0.002	0.014	38.156	-0.010	-0.010	0.000	0.000	0.000	0.000
275	A	492	ALA	0	0.071	0.022	41.063	0.004	0.004	0.000	0.000	0.000	0.000
276	A	493	GLN	0	-0.042	-0.032	39.418	-0.009	-0.009	0.000	0.000	0.000	0.000
277	A	494	GLY	0	-0.019	-0.009	38.765	0.003	0.003	0.000	0.000	0.000	0.000
278	A	495	GLU	-1	-0.886	-0.951	33.165	0.250	0.250	0.000	0.000	0.000	0.000
279	A	496	SER	0	-0.042	-0.012	29.880	0.011	0.011	0.000	0.000	0.000	0.000
280	A	497	PHE	0	0.091	0.030	27.823	0.012	0.012	0.000	0.000	0.000	0.000
281	A	498	THR	0	-0.026	-0.026	24.559	0.013	0.013	0.000	0.000	0.000	0.000
282	A	499	THR	0	-0.042	-0.017	26.673	0.031	0.031	0.000	0.000	0.000	0.000
283	A	500	LEU	0	0.117	0.072	28.916	0.007	0.007	0.000	0.000	0.000	0.000
284	A	501	ALA	0	-0.037	-0.012	25.694	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	502	ARG	1	0.940	0.945	22.969	-0.450	-0.450	0.000	0.000	0.000	0.000
286	A	503	GLU	-1	-0.817	-0.874	25.817	0.285	0.285	0.000	0.000	0.000	0.000
287	A	504	LEU	0	0.031	0.006	29.065	-0.007	-0.007	0.000	0.000	0.000	0.000
288	A	505	SER	0	-0.043	0.003	23.093	-0.012	-0.012	0.000	0.000	0.000	0.000
289	A	506	ALA	0	0.015	0.005	26.117	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	507	ARG	1	0.860	0.909	27.066	-0.244	-0.244	0.000	0.000	0.000	0.000
291	A	508	THR	0	0.010	-0.016	27.474	-0.021	-0.021	0.000	0.000	0.000	0.000
292	A	509	PHE	0	-0.015	-0.006	22.838	-0.011	-0.011	0.000	0.000	0.000	0.000
293	A	510	SER	0	-0.004	0.004	26.820	-0.015	-0.015	0.000	0.000	0.000	0.000
294	A	511	ARG	1	0.843	0.899	29.682	-0.216	-0.216	0.000	0.000	0.000	0.000
295	A	512	HIS	0	-0.037	-0.024	24.892	-0.030	-0.030	0.000	0.000	0.000	0.000
296	A	513	VAL	0	0.036	0.028	26.914	-0.014	-0.014	0.000	0.000	0.000	0.000
297	A	514	VAL	0	-0.003	0.006	29.364	-0.015	-0.015	0.000	0.000	0.000	0.000
298	A	515	GLN	0	0.036	0.014	32.292	-0.010	-0.010	0.000	0.000	0.000	0.000
299	A	516	ARG	1	0.981	0.988	24.701	-0.232	-0.232	0.000	0.000	0.000	0.000
300	A	517	GLN	0	-0.042	-0.013	31.351	-0.021	-0.021	0.000	0.000	0.000	0.000
301	A	518	ARG	1	0.922	0.950	33.495	-0.145	-0.145	0.000	0.000	0.000	0.000
302	A	519	VAL	0	-0.053	-0.025	33.519	-0.008	-0.008	0.000	0.000	0.000	0.000
303	A	520	SER	0	-0.017	-0.012	32.614	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	521	GLY	0	0.038	0.027	34.698	-0.004	-0.004	0.000	0.000	0.000	0.000
305	A	522	GLN	0	-0.001	-0.007	30.215	0.002	0.002	0.000	0.000	0.000	0.000
306	A	523	VAL	0	0.011	0.021	35.751	0.001	0.001	0.000	0.000	0.000	0.000
307	A	524	GLN	0	0.054	0.021	38.392	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	525	ALA	0	-0.018	0.005	37.267	-0.004	-0.004	0.000	0.000	0.000	0.000
309	A	526	LEU	0	0.021	0.011	36.883	-0.003	-0.003	0.000	0.000	0.000	0.000
310	A	527	GLN	0	-0.050	-0.049	39.104	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	528	ASN	0	-0.007	-0.011	42.677	-0.004	-0.004	0.000	0.000	0.000	0.000
312	A	529	HIS	0	-0.080	-0.030	37.299	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	530	TYR	0	0.034	-0.032	40.991	-0.005	-0.005	0.000	0.000	0.000	0.000
314	A	531	ARG	1	0.861	0.934	42.824	-0.084	-0.084	0.000	0.000	0.000	0.000
315	A	532	LYS	1	0.961	0.994	43.365	-0.081	-0.081	0.000	0.000	0.000	0.000
316	A	533	TYR	0	0.035	0.009	42.419	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	534	LEU	0	-0.004	-0.014	44.828	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	535	CYS	0	-0.030	0.000	47.579	-0.003	-0.003	0.000	0.000	0.000	0.000
319	A	536	LEU	0	0.011	0.025	44.888	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	537	LEU	0	-0.032	-0.017	45.120	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	538	ALA	0	0.001	0.001	49.369	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	539	SER	0	-0.019	-0.005	52.544	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	540	ASP	-1	-0.841	-0.901	56.064	0.060	0.060	0.000	0.000	0.000	0.000
324	A	541	ALA	0	-0.003	-0.004	53.196	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	542	GLU	-1	-0.930	-0.959	54.040	0.050	0.050	0.000	0.000	0.000	0.000
326	A	543	VAL	0	-0.056	-0.029	48.424	0.002	0.002	0.000	0.000	0.000	0.000
327	A	544	PRO	0	0.001	-0.001	49.185	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	545	GLU	-1	-0.890	-0.933	48.564	0.046	0.046	0.000	0.000	0.000	0.000
329	A	546	PRO	0	-0.040	-0.027	49.114	0.004	0.004	0.000	0.000	0.000	0.000
330	A	547	CYS	0	-0.008	-0.005	44.218	0.001	0.001	0.000	0.000	0.000	0.000
331	A	548	LEU	0	-0.007	-0.003	41.504	0.002	0.002	0.000	0.000	0.000	0.000
332	A	549	PRO	0	0.029	-0.013	41.442	0.001	0.001	0.000	0.000	0.000	0.000
333	A	550	ARG	1	0.910	0.946	34.938	-0.121	-0.121	0.000	0.000	0.000	0.000
334	A	551	GLN	0	0.001	-0.001	38.430	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	552	TYR	0	0.134	0.059	40.369	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	553	TRP	0	-0.038	-0.015	35.768	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	554	GLU	-1	-0.894	-0.978	34.259	0.125	0.125	0.000	0.000	0.000	0.000
338	A	555	GLU	-1	-0.990	-0.979	37.715	0.067	0.067	0.000	0.000	0.000	0.000
339	A	556	LEU	0	-0.095	-0.030	40.873	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	557	GLY	0	-0.053	0.005	37.907	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	558	ALA	0	0.088	0.029	34.986	-0.006	-0.006	0.000	0.000	0.000	0.000
342	A	559	PRO	0	-0.062	-0.034	32.977	0.004	0.004	0.000	0.000	0.000	0.000
343	A	560	GLU	-1	-0.931	-0.972	29.692	0.152	0.152	0.000	0.000	0.000	0.000
344	A	561	ALA	0	-0.046	-0.010	29.288	0.016	0.016	0.000	0.000	0.000	0.000
345	A	562	LEU	0	0.013	-0.013	23.942	-0.004	-0.004	0.000	0.000	0.000	0.000
346	A	563	ARG	1	0.955	1.009	18.900	-0.417	-0.417	0.000	0.000	0.000	0.000
347	A	564	GLU	-1	-0.852	-0.932	21.735	0.309	0.309	0.000	0.000	0.000	0.000
348	A	565	GLN	0	-0.067	-0.037	16.476	-0.012	-0.012	0.000	0.000	0.000	0.000
349	A	566	PRO	0	0.021	0.015	18.227	-0.006	-0.006	0.000	0.000	0.000	0.000
350	A	567	TRP	0	0.041	0.020	17.324	0.070	0.070	0.000	0.000	0.000	0.000
351	A	568	PRO	0	0.037	0.027	13.000	0.041	0.041	0.000	0.000	0.000	0.000
352	A	569	LEU	0	0.068	0.018	15.008	-0.074	-0.074	0.000	0.000	0.000	0.000
353	A	570	PRO	0	-0.056	-0.028	13.394	-0.084	-0.084	0.000	0.000	0.000	0.000
354	A	571	VAL	0	0.068	0.037	16.014	-0.065	-0.065	0.000	0.000	0.000	0.000
355	A	572	GLN	0	-0.056	-0.027	18.509	-0.084	-0.084	0.000	0.000	0.000	0.000
356	A	573	MET	0	-0.016	-0.019	19.976	-0.062	-0.062	0.000	0.000	0.000	0.000
357	A	574	GLU	-1	-0.857	-0.921	17.788	0.594	0.594	0.000	0.000	0.000	0.000
358	A	575	LEU	0	0.038	0.024	22.189	-0.042	-0.042	0.000	0.000	0.000	0.000
359	A	576	GLY	0	0.029	0.017	24.402	-0.033	-0.033	0.000	0.000	0.000	0.000
360	A	577	LYS	1	0.917	0.942	22.367	-0.519	-0.519	0.000	0.000	0.000	0.000
361	A	578	LEU	0	-0.008	0.011	25.968	-0.024	-0.024	0.000	0.000	0.000	0.000
362	A	579	LEU	0	0.016	0.007	27.795	-0.024	-0.024	0.000	0.000	0.000	0.000
363	A	580	ALA	0	-0.001	0.009	29.964	-0.018	-0.018	0.000	0.000	0.000	0.000
364	A	581	GLU	-1	-0.885	-0.958	30.222	0.236	0.236	0.000	0.000	0.000	0.000
365	A	582	MET	0	-0.021	0.005	31.921	-0.015	-0.015	0.000	0.000	0.000	0.000
366	A	583	LEU	0	-0.001	-0.003	33.706	-0.016	-0.016	0.000	0.000	0.000	0.000
367	A	584	VAL	0	-0.048	-0.016	34.713	-0.014	-0.014	0.000	0.000	0.000	0.000
368	A	585	GLN	0	-0.024	-0.014	32.982	-0.012	-0.012	0.000	0.000	0.000	0.000
369	A	586	ALA	0	-0.010	0.011	37.426	-0.011	-0.011	0.000	0.000	0.000	0.000
370	A	587	THR	0	-0.052	-0.040	39.650	-0.011	-0.011	0.000	0.000	0.000	0.000
371	A	588	GLN	0	-0.007	0.005	42.013	-0.003	-0.003	0.000	0.000	0.000	0.000
372	A	589	MET	0	0.019	0.012	44.986	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	590	PRO	0	0.045	0.033	48.335	0.001	0.001	0.000	0.000	0.000	0.000
374	A	591	CYS	0	-0.031	-0.012	50.204	0.000	0.000	0.000	0.000	0.000	0.000
375	A	592	SER	0	-0.061	-0.038	51.850	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	593	LEU	0	0.012	0.011	54.460	-0.003	-0.003	0.000	0.000	0.000	0.000
377	A	594	ASP	-1	-0.831	-0.898	55.803	0.074	0.074	0.000	0.000	0.000	0.000
378	A	595	LYS	1	0.920	0.943	58.548	-0.078	-0.078	0.000	0.000	0.000	0.000
379	A	596	PRO	0	0.068	0.029	61.502	-0.002	-0.002	0.000	0.000	0.000	0.000
380	A	597	HIS	0	-0.046	-0.027	61.836	0.000	0.000	0.000	0.000	0.000	0.000
381	A	598	ARG	1	0.959	0.980	60.127	-0.066	-0.066	0.000	0.000	0.000	0.000
382	A	599	SER	0	-0.026	0.008	55.477	0.000	0.000	0.000	0.000	0.000	0.000
383	A	600	SER	0	0.007	-0.011	55.009	0.002	0.002	0.000	0.000	0.000	0.000
384	A	601	ARG	1	0.981	0.999	48.803	-0.103	-0.103	0.000	0.000	0.000	0.000
385	A	602	LEU	0	0.032	0.022	47.681	0.001	0.001	0.000	0.000	0.000	0.000
386	A	603	VAL	0	-0.046	-0.040	46.132	0.001	0.001	0.000	0.000	0.000	0.000
387	A	604	PRO	0	0.065	0.033	41.044	-0.002	-0.002	0.000	0.000	0.000	0.000
388	A	605	VAL	0	-0.016	-0.001	42.622	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	606	LEU	0	0.002	0.003	37.559	0.001	0.001	0.000	0.000	0.000	0.000
390	A	607	TYR	0	-0.002	-0.009	38.624	-0.003	-0.003	0.000	0.000	0.000	0.000
391	A	608	HIS	0	0.006	0.007	31.722	0.005	0.005	0.000	0.000	0.000	0.000
392	A	609	VAL	0	-0.036	-0.015	36.129	-0.011	-0.011	0.000	0.000	0.000	0.000
393	A	610	TYR	0	0.027	0.011	30.565	0.021	0.021	0.000	0.000	0.000	0.000
394	A	611	SER	0	-0.012	0.007	34.439	-0.016	-0.016	0.000	0.000	0.000	0.000
395	A	612	PHE	0	0.062	0.000	34.027	0.015	0.015	0.000	0.000	0.000	0.000
396	A	613	ARG	1	0.966	0.986	35.735	-0.190	-0.190	0.000	0.000	0.000	0.000
397	A	614	ASN	0	-0.077	-0.048	28.976	-0.012	-0.012	0.000	0.000	0.000	0.000
398	A	615	VAL	0	0.023	0.034	31.318	0.010	0.010	0.000	0.000	0.000	0.000
399	A	616	GLN	0	0.026	0.010	24.940	-0.014	-0.014	0.000	0.000	0.000	0.000
400	A	617	GLN	0	0.006	0.006	28.152	-0.013	-0.013	0.000	0.000	0.000	0.000
401	A	618	ILE	0	-0.038	-0.006	28.722	0.023	0.023	0.000	0.000	0.000	0.000
402	A	619	GLY	0	0.051	0.017	29.762	-0.021	-0.021	0.000	0.000	0.000	0.000
403	A	620	ILE	0	-0.087	-0.049	31.498	0.013	0.013	0.000	0.000	0.000	0.000
404	A	621	LEU	0	0.055	0.032	34.040	-0.007	-0.007	0.000	0.000	0.000	0.000
405	A	622	LYS	1	0.929	0.960	35.798	-0.157	-0.157	0.000	0.000	0.000	0.000
406	A	623	PRO	0	0.045	0.031	39.554	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	624	HIS	0	0.036	0.013	42.471	-0.004	-0.004	0.000	0.000	0.000	0.000
408	A	625	PRO	0	0.022	-0.010	45.413	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	626	ALA	0	0.011	0.010	48.277	-0.003	-0.003	0.000	0.000	0.000	0.000
410	A	627	TYR	0	-0.008	-0.016	43.953	-0.006	-0.006	0.000	0.000	0.000	0.000
411	A	628	VAL	0	0.012	0.007	45.924	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	629	GLN	0	0.040	0.024	48.495	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	630	LEU	0	-0.048	-0.011	50.059	-0.004	-0.004	0.000	0.000	0.000	0.000
414	A	631	LEU	0	0.015	-0.011	46.493	-0.004	-0.004	0.000	0.000	0.000	0.000
415	A	632	GLU	-1	-0.951	-0.962	50.834	0.111	0.111	0.000	0.000	0.000	0.000
416	A	633	LYS	1	0.936	0.966	52.900	-0.089	-0.089	0.000	0.000	0.000	0.000
417	A	634	ALA	0	-0.031	-0.019	52.844	-0.004	-0.004	0.000	0.000	0.000	0.000
418	A	635	ALA	0	0.046	0.026	54.175	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	636	GLU	-1	-0.802	-0.882	48.864	0.115	0.115	0.000	0.000	0.000	0.000
420	A	637	PRO	0	-0.046	-0.034	52.235	0.002	0.002	0.000	0.000	0.000	0.000
421	A	638	THR	0	-0.008	0.005	49.141	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	639	LEU	0	0.004	0.010	45.844	0.003	0.003	0.000	0.000	0.000	0.000
423	A	640	THR	0	0.006	-0.002	41.500	-0.004	-0.004	0.000	0.000	0.000	0.000
424	A	641	PHE	0	-0.023	-0.003	40.404	0.005	0.005	0.000	0.000	0.000	0.000
425	A	642	GLU	-1	-0.738	-0.864	34.546	0.203	0.203	0.000	0.000	0.000	0.000
426	A	643	ALA	0	-0.009	-0.014	37.588	-0.003	-0.003	0.000	0.000	0.000	0.000
427	A	644	VAL	0	0.010	0.004	32.881	-0.005	-0.005	0.000	0.000	0.000	0.000
428	A	645	ASP	-1	-0.935	-0.969	35.758	0.215	0.215	0.000	0.000	0.000	0.000
429	A	646	VAL	0	-0.062	-0.033	37.736	-0.007	-0.007	0.000	0.000	0.000	0.000
430	A	647	PRO	0	-0.030	-0.027	40.400	0.004	0.004	0.000	0.000	0.000	0.000
431	A	648	MET	0	-0.026	0.030	39.263	0.001	0.001	0.000	0.000	0.000	0.000
432	A	649	LEU	0	-0.003	-0.025	42.630	-0.007	-0.007	0.000	0.000	0.000	0.000
433	A	650	CYS	0	-0.042	-0.007	42.916	-0.005	-0.005	0.000	0.000	0.000	0.000
434	A	651	PRO	0	0.012	0.025	43.556	0.006	0.006	0.000	0.000	0.000	0.000
435	A	652	PRO	0	0.008	0.002	38.681	0.002	0.002	0.000	0.000	0.000	0.000
436	A	653	LEU	0	-0.007	0.013	35.178	-0.009	-0.009	0.000	0.000	0.000	0.000
437	A	654	PRO	0	-0.039	-0.025	36.875	0.008	0.008	0.000	0.000	0.000	0.000
438	A	655	TRP	0	-0.052	-0.025	29.455	0.010	0.010	0.000	0.000	0.000	0.000
439	A	656	THR	0	0.048	0.011	32.609	-0.003	-0.003	0.000	0.000	0.000	0.000
440	A	657	SER	0	0.026	0.020	27.407	0.002	0.002	0.000	0.000	0.000	0.000
441	A	658	PRO	0	-0.038	-0.036	24.631	-0.003	-0.003	0.000	0.000	0.000	0.000
442	A	659	HIS	0	-0.092	-0.054	24.196	0.008	0.008	0.000	0.000	0.000	0.000
443	A	660	SER	0	0.016	0.024	26.607	0.001	0.001	0.000	0.000	0.000	0.000
444	A	661	GLY	0	0.067	0.023	30.251	-0.007	-0.007	0.000	0.000	0.000	0.000
445	A	662	ALA	0	-0.066	-0.023	32.885	0.011	0.011	0.000	0.000	0.000	0.000
446	A	663	PHE	0	0.012	-0.004	34.053	-0.011	-0.011	0.000	0.000	0.000	0.000
447	A	664	LEU	0	-0.023	-0.012	35.029	0.002	0.002	0.000	0.000	0.000	0.000
448	A	665	LEU	0	-0.015	-0.003	34.174	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	666	SER	0	-0.018	-0.019	31.918	0.011	0.011	0.000	0.000	0.000	0.000
450	A	667	PRO	0	-0.007	0.009	27.070	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	668	THR	0	0.026	0.001	29.225	0.003	0.003	0.000	0.000	0.000	0.000
452	A	669	LYS	1	0.877	0.956	22.319	-0.437	-0.437	0.000	0.000	0.000	0.000
453	A	670	LEU	0	0.094	0.065	26.731	-0.013	-0.013	0.000	0.000	0.000	0.000
454	A	671	MET	0	-0.024	-0.005	25.121	-0.004	-0.004	0.000	0.000	0.000	0.000
455	A	672	ARG	1	0.910	0.955	25.652	-0.202	-0.202	0.000	0.000	0.000	0.000
456	A	673	THR	0	-0.039	-0.033	23.853	0.008	0.008	0.000	0.000	0.000	0.000
457	A	674	VAL	0	0.030	0.022	22.203	0.028	0.028	0.000	0.000	0.000	0.000
458	A	675	GLU	-1	-0.953	-0.981	20.665	0.527	0.527	0.000	0.000	0.000	0.000
459	A	676	GLY	0	0.020	-0.003	17.761	-0.034	-0.034	0.000	0.000	0.000	0.000
460	A	677	ALA	0	-0.005	0.002	18.818	-0.022	-0.022	0.000	0.000	0.000	0.000
461	A	678	THR	0	-0.014	-0.012	12.726	-0.080	-0.080	0.000	0.000	0.000	0.000
462	A	679	GLN	0	0.024	0.010	14.887	-0.064	-0.064	0.000	0.000	0.000	0.000
463	A	680	HIS	0	0.040	0.027	16.879	-0.063	-0.063	0.000	0.000	0.000	0.000
464	A	681	GLN	0	-0.049	-0.025	17.997	-0.060	-0.060	0.000	0.000	0.000	0.000
465	A	682	GLU	-1	-0.856	-0.932	14.065	0.861	0.861	0.000	0.000	0.000	0.000
466	A	683	LEU	0	0.023	0.008	18.102	-0.053	-0.053	0.000	0.000	0.000	0.000
467	A	684	LEU	0	-0.056	-0.034	20.524	-0.045	-0.045	0.000	0.000	0.000	0.000
468	A	685	GLU	-1	-0.856	-0.941	20.221	0.312	0.312	0.000	0.000	0.000	0.000
469	A	686	THR	0	-0.085	-0.034	18.927	-0.013	-0.013	0.000	0.000	0.000	0.000
470	A	687	CYS	0	-0.081	-0.017	21.102	-0.036	-0.036	0.000	0.000	0.000	0.000
471	A	688	PRO	0	0.043	0.009	24.705	0.000	0.000	0.000	0.000	0.000	0.000
472	A	689	PRO	0	0.085	0.034	26.933	0.004	0.004	0.000	0.000	0.000	0.000
473	A	690	THR	0	0.005	-0.004	28.787	0.006	0.006	0.000	0.000	0.000	0.000
474	A	691	ALA	0	-0.051	-0.016	28.972	-0.005	-0.005	0.000	0.000	0.000	0.000
475	A	692	LEU	0	0.039	0.015	26.568	0.002	0.002	0.000	0.000	0.000	0.000
476	A	693	HIS	0	0.006	0.018	31.060	0.006	0.006	0.000	0.000	0.000	0.000
477	A	694	GLY	0	0.054	0.033	34.552	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	695	ALA	0	0.034	-0.010	32.427	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	696	LEU	0	-0.016	-0.002	30.394	0.003	0.003	0.000	0.000	0.000	0.000
480	A	697	ASP	-1	-0.738	-0.849	34.289	0.115	0.115	0.000	0.000	0.000	0.000
481	A	698	ALA	0	-0.010	-0.008	37.501	-0.004	-0.004	0.000	0.000	0.000	0.000
482	A	699	LEU	0	-0.021	-0.020	32.833	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	700	THR	0	-0.020	-0.008	36.858	0.001	0.001	0.000	0.000	0.000	0.000
484	A	701	GLN	0	-0.037	-0.024	38.814	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	702	LEU	0	-0.043	-0.023	38.744	-0.003	-0.003	0.000	0.000	0.000	0.000
486	A	703	GLY	0	-0.037	-0.012	40.044	-0.002	-0.002	0.000	0.000	0.000	0.000
487	A	704	ASN	0	0.043	0.001	40.931	-0.002	-0.002	0.000	0.000	0.000	0.000
488	A	705	CYS	0	-0.048	-0.002	43.948	-0.007	-0.007	0.000	0.000	0.000	0.000
489	A	706	ALA	0	-0.017	0.012	46.204	0.004	0.004	0.000	0.000	0.000	0.000
490	A	707	TRP	0	0.000	-0.009	45.224	-0.004	-0.004	0.000	0.000	0.000	0.000
491	A	708	ARG	1	0.890	0.939	49.716	-0.075	-0.075	0.000	0.000	0.000	0.000
492	A	709	VAL	0	-0.001	-0.004	51.531	0.002	0.002	0.000	0.000	0.000	0.000
493	A	710	ASN	0	0.049	0.037	53.791	-0.005	-0.005	0.000	0.000	0.000	0.000
494	A	711	GLY	0	0.024	-0.010	56.899	0.001	0.001	0.000	0.000	0.000	0.000
495	A	712	ARG	1	0.954	0.960	58.885	-0.062	-0.062	0.000	0.000	0.000	0.000
496	A	713	VAL	0	0.007	0.013	56.391	0.000	0.000	0.000	0.000	0.000	0.000
497	A	714	LEU	0	0.005	-0.002	54.004	0.001	0.001	0.000	0.000	0.000	0.000
498	A	715	ASP	-1	-0.839	-0.910	57.185	0.075	0.075	0.000	0.000	0.000	0.000
499	A	716	LEU	0	-0.021	-0.002	60.587	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	717	VAL	0	0.001	-0.004	54.659	0.001	0.001	0.000	0.000	0.000	0.000
501	A	718	LEU	0	-0.026	-0.025	54.920	0.002	0.002	0.000	0.000	0.000	0.000
502	A	719	GLN	0	0.012	0.013	58.243	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	720	LEU	0	-0.011	0.003	59.447	0.000	0.000	0.000	0.000	0.000	0.000
504	A	721	PHE	0	-0.029	-0.018	52.340	0.001	0.001	0.000	0.000	0.000	0.000
505	A	722	GLN	0	-0.051	-0.040	57.469	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	723	ALA	0	0.027	0.036	59.581	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	724	LYS	1	0.921	0.952	60.844	-0.067	-0.067	0.000	0.000	0.000	0.000
508	A	725	GLY	0	0.016	0.009	58.245	0.002	0.002	0.000	0.000	0.000	0.000
509	A	726	CYS	0	-0.033	-0.020	58.029	-0.003	-0.003	0.000	0.000	0.000	0.000
510	A	727	PRO	0	0.022	0.010	56.181	0.001	0.001	0.000	0.000	0.000	0.000
511	A	728	GLN	0	0.010	0.000	56.425	0.002	0.002	0.000	0.000	0.000	0.000
512	A	729	LEU	0	0.026	0.021	57.994	0.000	0.000	0.000	0.000	0.000	0.000
513	A	730	GLY	0	0.014	0.013	53.888	0.002	0.002	0.000	0.000	0.000	0.000
514	A	731	VAL	0	-0.023	-0.003	53.184	0.005	0.005	0.000	0.000	0.000	0.000
515	A	732	PRO	0	-0.029	-0.026	51.077	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	733	ALA	0	0.064	0.035	54.007	-0.002	-0.002	0.000	0.000	0.000	0.000
517	A	734	PRO	0	-0.009	0.009	55.106	0.004	0.004	0.000	0.000	0.000	0.000
518	A	735	PRO	0	0.008	-0.020	54.163	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	736	SER	0	-0.034	-0.015	56.219	0.000	0.000	0.000	0.000	0.000	0.000
520	A	737	GLU	-1	-0.879	-0.945	58.994	0.074	0.074	0.000	0.000	0.000	0.000
521	A	738	ALA	0	-0.066	-0.028	56.179	0.001	0.001	0.000	0.000	0.000	0.000
522	A	739	PRO	0	-0.028	-0.008	56.497	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	740	GLN	0	0.017	0.004	58.547	0.002	0.002	0.000	0.000	0.000	0.000
524	A	741	PRO	0	-0.024	-0.026	59.515	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	742	PRO	0	0.006	0.031	61.767	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	743	GLU	-1	-0.886	-0.959	65.516	0.066	0.066	0.000	0.000	0.000	0.000
527	A	744	ALA	0	-0.042	-0.027	63.103	0.001	0.001	0.000	0.000	0.000	0.000
528	A	745	HIS	0	-0.034	-0.030	61.260	-0.001	-0.001	0.000	0.000	0.000	0.000
529	A	746	LEU	0	0.071	0.052	64.354	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	747	PRO	0	-0.077	-0.013	64.554	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	748	HIS	0	0.078	0.001	65.675	0.000	0.000	0.000	0.000	0.000	0.000
532	A	749	SER	0	0.009	0.012	67.826	0.001	0.001	0.000	0.000	0.000	0.000
533	A	750	ALA	0	0.068	0.042	69.328	0.000	0.000	0.000	0.000	0.000	0.000
534	A	751	ALA	0	0.053	0.010	66.972	0.001	0.001	0.000	0.000	0.000	0.000
535	A	752	PRO	0	0.002	-0.004	63.218	0.002	0.002	0.000	0.000	0.000	0.000
536	A	753	ALA	0	0.025	0.012	62.039	0.003	0.003	0.000	0.000	0.000	0.000
537	A	754	ARG	1	0.949	0.970	62.567	-0.059	-0.059	0.000	0.000	0.000	0.000
538	A	755	LYS	1	0.882	0.949	61.437	-0.062	-0.062	0.000	0.000	0.000	0.000
539	A	756	ALA	0	-0.019	-0.014	58.140	0.003	0.003	0.000	0.000	0.000	0.000
540	A	757	GLU	-1	-0.940	-0.991	58.272	0.068	0.068	0.000	0.000	0.000	0.000
541	A	758	LEU	0	0.109	0.076	59.965	0.002	0.002	0.000	0.000	0.000	0.000
542	A	759	ARG	1	0.946	0.967	52.163	-0.092	-0.092	0.000	0.000	0.000	0.000
543	A	760	ARG	1	0.909	0.956	54.867	-0.075	-0.075	0.000	0.000	0.000	0.000
544	A	761	GLU	-1	-0.871	-0.918	55.575	0.077	0.077	0.000	0.000	0.000	0.000
545	A	762	LEU	0	0.056	0.010	55.721	0.002	0.002	0.000	0.000	0.000	0.000
546	A	763	ALA	0	-0.058	-0.025	51.519	0.004	0.004	0.000	0.000	0.000	0.000
547	A	764	HIS	0	-0.008	-0.001	51.784	0.008	0.008	0.000	0.000	0.000	0.000
548	A	765	CYS	0	0.048	0.033	53.579	0.002	0.002	0.000	0.000	0.000	0.000
549	A	766	GLN	0	-0.014	-0.010	50.619	0.000	0.000	0.000	0.000	0.000	0.000
550	A	767	LYS	1	0.789	0.884	47.258	-0.113	-0.113	0.000	0.000	0.000	0.000
551	A	768	VAL	0	0.060	0.028	49.806	0.004	0.004	0.000	0.000	0.000	0.000
552	A	769	ALA	0	0.065	0.038	52.053	0.002	0.002	0.000	0.000	0.000	0.000
553	A	770	ARG	1	0.899	0.944	46.000	-0.125	-0.125	0.000	0.000	0.000	0.000
554	A	771	GLU	-1	-0.887	-0.934	47.243	0.126	0.126	0.000	0.000	0.000	0.000
555	A	772	MET	0	0.011	0.011	48.727	0.002	0.002	0.000	0.000	0.000	0.000
556	A	773	HIS	0	0.015	0.010	47.635	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	774	SER	0	-0.053	-0.026	44.819	0.005	0.005	0.000	0.000	0.000	0.000
558	A	775	LEU	0	0.013	0.003	46.204	0.002	0.002	0.000	0.000	0.000	0.000
559	A	776	ARG	1	0.795	0.893	48.281	-0.098	-0.098	0.000	0.000	0.000	0.000
560	A	777	ALA	0	-0.004	-0.002	45.728	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	778	GLU	-1	-0.945	-0.974	43.535	0.145	0.145	0.000	0.000	0.000	0.000
562	A	779	ALA	0	-0.022	-0.014	45.618	0.000	0.000	0.000	0.000	0.000	0.000
563	A	780	LEU	0	-0.003	0.017	48.474	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	781	TYR	0	-0.008	-0.001	43.438	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	782	ARG	1	0.954	0.986	45.965	-0.124	-0.124	0.000	0.000	0.000	0.000
566	A	783	LEU	0	0.022	-0.002	47.078	-0.002	-0.002	0.000	0.000	0.000	0.000
567	A	784	SER	0	0.002	-0.010	48.565	-0.005	-0.005	0.000	0.000	0.000	0.000
568	A	785	LEU	0	-0.018	-0.008	43.462	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	786	ALA	0	-0.002	0.016	48.060	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	787	GLN	0	0.053	0.027	50.678	-0.004	-0.004	0.000	0.000	0.000	0.000
571	A	788	HIS	0	-0.049	-0.022	47.895	-0.005	-0.005	0.000	0.000	0.000	0.000
572	A	789	LEU	0	-0.065	-0.054	46.365	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	790	ARG	1	0.862	0.924	50.936	-0.081	-0.081	0.000	0.000	0.000	0.000
574	A	791	ASP	-1	-0.906	-0.945	54.584	0.076	0.076	0.000	0.000	0.000	0.000
575	A	792	ARG	1	0.818	0.921	49.856	-0.101	-0.101	0.000	0.000	0.000	0.000
576	A	793	VAL	0	0.011	0.016	49.774	0.000	0.000	0.000	0.000	0.000	0.000
577	A	794	PHE	0	-0.031	-0.016	46.036	0.003	0.003	0.000	0.000	0.000	0.000
578	A	795	TRP	0	0.035	0.025	43.238	-0.004	-0.004	0.000	0.000	0.000	0.000
579	A	796	LEU	0	-0.012	-0.007	41.291	0.007	0.007	0.000	0.000	0.000	0.000
580	A	797	PRO	0	0.086	0.052	36.483	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	798	HIS	0	-0.026	-0.021	36.456	0.002	0.002	0.000	0.000	0.000	0.000
582	A	799	ASN	0	-0.007	-0.025	29.973	0.016	0.016	0.000	0.000	0.000	0.000
583	A	800	MET	0	0.049	0.042	29.341	-0.018	-0.018	0.000	0.000	0.000	0.000
584	A	801	ASP	-1	-0.834	-0.907	28.979	0.246	0.246	0.000	0.000	0.000	0.000
585	A	802	PHE	0	0.001	-0.043	25.403	-0.007	-0.007	0.000	0.000	0.000	0.000
586	A	803	ARG	1	0.815	0.899	27.141	-0.235	-0.235	0.000	0.000	0.000	0.000
587	A	804	GLY	0	0.074	0.028	30.274	-0.017	-0.017	0.000	0.000	0.000	0.000
588	A	805	ARG	1	0.846	0.946	31.873	-0.161	-0.161	0.000	0.000	0.000	0.000
589	A	806	THR	0	-0.014	-0.003	33.430	0.014	0.014	0.000	0.000	0.000	0.000
590	A	807	TYR	0	-0.057	-0.032	33.113	-0.008	-0.008	0.000	0.000	0.000	0.000
591	A	808	PRO	0	0.052	0.036	35.849	0.007	0.007	0.000	0.000	0.000	0.000
592	A	809	CYS	0	-0.060	-0.018	34.113	0.013	0.013	0.000	0.000	0.000	0.000
593	A	810	PRO	0	0.056	0.043	35.824	0.007	0.007	0.000	0.000	0.000	0.000
594	A	811	PRO	0	-0.036	-0.008	36.288	-0.007	-0.007	0.000	0.000	0.000	0.000
595	A	812	HIS	0	-0.017	-0.004	38.756	-0.010	-0.010	0.000	0.000	0.000	0.000
596	A	813	PHE	0	0.016	-0.003	41.977	-0.005	-0.005	0.000	0.000	0.000	0.000
597	A	814	ASN	0	0.011	-0.011	40.456	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	815	HIS	0	0.080	0.039	42.622	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	816	LEU	0	0.005	-0.001	39.324	-0.002	-0.002	0.000	0.000	0.000	0.000
600	A	817	GLY	0	-0.035	-0.005	43.541	0.002	0.002	0.000	0.000	0.000	0.000
601	A	818	SER	0	0.001	-0.011	45.261	-0.004	-0.004	0.000	0.000	0.000	0.000
602	A	819	ASP	-1	-0.693	-0.848	48.391	0.088	0.088	0.000	0.000	0.000	0.000
603	A	820	VAL	0	0.037	0.017	51.791	0.000	0.000	0.000	0.000	0.000	0.000
604	A	821	ALA	0	-0.062	-0.038	47.612	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	822	ARG	1	0.872	0.932	45.488	-0.113	-0.113	0.000	0.000	0.000	0.000
606	A	823	ALA	0	0.016	0.030	50.478	-0.002	-0.002	0.000	0.000	0.000	0.000
607	A	824	LEU	0	-0.036	-0.012	50.814	-0.003	-0.003	0.000	0.000	0.000	0.000
608	A	825	LEU	0	-0.063	-0.010	47.323	0.000	0.000	0.000	0.000	0.000	0.000
609	A	826	GLU	-1	-0.847	-0.913	51.910	0.075	0.075	0.000	0.000	0.000	0.000
610	A	827	PHE	0	0.021	0.007	49.230	0.004	0.004	0.000	0.000	0.000	0.000
611	A	828	ALA	0	-0.003	-0.025	52.022	-0.003	-0.003	0.000	0.000	0.000	0.000
612	A	829	GLN	0	-0.061	-0.019	53.401	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	830	GLY	0	0.060	0.033	55.282	0.002	0.002	0.000	0.000	0.000	0.000
614	A	831	ARG	1	0.893	0.931	55.833	-0.064	-0.064	0.000	0.000	0.000	0.000
615	A	832	PRO	0	-0.009	-0.004	59.458	0.000	0.000	0.000	0.000	0.000	0.000
616	A	833	LEU	0	-0.047	-0.012	62.130	0.000	0.000	0.000	0.000	0.000	0.000
617	A	834	GLY	0	0.032	0.019	63.604	0.000	0.000	0.000	0.000	0.000	0.000
618	A	835	PRO	0	-0.025	-0.029	65.386	0.000	0.000	0.000	0.000	0.000	0.000
619	A	836	HIS	0	0.044	0.014	63.883	0.000	0.000	0.000	0.000	0.000	0.000
620	A	837	GLY	0	0.028	0.023	62.365	0.001	0.001	0.000	0.000	0.000	0.000
621	A	838	LEU	0	0.038	0.006	63.036	0.002	0.002	0.000	0.000	0.000	0.000
622	A	839	ASP	-1	-0.817	-0.915	65.373	0.048	0.048	0.000	0.000	0.000	0.000
623	A	840	TRP	0	-0.031	-0.025	59.001	0.002	0.002	0.000	0.000	0.000	0.000
624	A	841	LEU	0	-0.026	-0.008	60.155	0.003	0.003	0.000	0.000	0.000	0.000
625	A	842	LYS	1	0.889	0.934	62.154	-0.046	-0.046	0.000	0.000	0.000	0.000
626	A	843	ILE	0	-0.017	-0.010	60.140	0.001	0.001	0.000	0.000	0.000	0.000
627	A	844	HIS	0	-0.030	-0.017	55.583	0.004	0.004	0.000	0.000	0.000	0.000
628	A	845	LEU	0	0.071	0.023	59.119	0.002	0.002	0.000	0.000	0.000	0.000
629	A	846	VAL	0	0.016	0.011	61.280	0.001	0.001	0.000	0.000	0.000	0.000
630	A	847	ASN	0	-0.047	-0.026	57.168	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	848	LEU	0	-0.041	-0.011	54.918	0.002	0.002	0.000	0.000	0.000	0.000
632	A	849	THR	0	0.011	-0.001	58.053	0.001	0.001	0.000	0.000	0.000	0.000
633	A	850	GLY	0	0.012	0.013	59.168	0.001	0.001	0.000	0.000	0.000	0.000
634	A	851	LEU	0	0.000	-0.008	59.776	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	852	LYS	1	0.934	0.976	62.712	-0.052	-0.052	0.000	0.000	0.000	0.000
636	A	853	LYS	1	0.812	0.907	55.490	-0.075	-0.075	0.000	0.000	0.000	0.000
637	A	854	ARG	1	0.930	0.954	60.065	-0.055	-0.055	0.000	0.000	0.000	0.000
638	A	855	GLU	-1	-0.867	-0.923	62.239	0.046	0.046	0.000	0.000	0.000	0.000
639	A	856	PRO	0	0.016	0.013	63.004	0.002	0.002	0.000	0.000	0.000	0.000
640	A	857	LEU	0	0.028	-0.011	59.839	0.000	0.000	0.000	0.000	0.000	0.000
641	A	858	ARG	1	0.899	0.927	63.930	-0.042	-0.042	0.000	0.000	0.000	0.000
642	A	859	LYS	1	0.977	0.993	67.188	-0.043	-0.043	0.000	0.000	0.000	0.000
643	A	860	ARG	1	0.819	0.925	58.602	-0.060	-0.060	0.000	0.000	0.000	0.000
644	A	861	LEU	0	0.014	0.014	65.763	0.001	0.001	0.000	0.000	0.000	0.000
645	A	862	ALA	0	0.018	0.002	67.493	0.000	0.000	0.000	0.000	0.000	0.000
646	A	863	PHE	0	0.009	-0.003	66.394	0.000	0.000	0.000	0.000	0.000	0.000
647	A	864	ALA	0	-0.003	-0.012	66.840	0.000	0.000	0.000	0.000	0.000	0.000
648	A	865	GLU	-1	-0.825	-0.906	68.709	0.046	0.046	0.000	0.000	0.000	0.000
649	A	866	GLU	-1	-0.964	-0.967	72.298	0.043	0.043	0.000	0.000	0.000	0.000
650	A	867	VAL	0	-0.022	-0.010	68.477	0.000	0.000	0.000	0.000	0.000	0.000
651	A	868	MET	0	0.030	0.016	69.323	0.002	0.002	0.000	0.000	0.000	0.000
652	A	869	ASP	-1	-0.858	-0.933	72.071	0.044	0.044	0.000	0.000	0.000	0.000
653	A	870	ASP	-1	-0.916	-0.965	70.386	0.050	0.050	0.000	0.000	0.000	0.000
654	A	871	ILE	0	-0.023	-0.010	66.923	0.002	0.002	0.000	0.000	0.000	0.000
655	A	872	LEU	0	-0.004	-0.009	68.457	0.002	0.002	0.000	0.000	0.000	0.000
656	A	873	ASP	-1	-0.796	-0.890	70.849	0.052	0.052	0.000	0.000	0.000	0.000
657	A	874	SER	0	-0.031	-0.024	66.359	0.002	0.002	0.000	0.000	0.000	0.000
658	A	875	ALA	0	-0.018	-0.009	66.317	0.002	0.002	0.000	0.000	0.000	0.000
659	A	876	ASP	-1	-0.811	-0.873	67.385	0.053	0.053	0.000	0.000	0.000	0.000
660	A	877	GLN	0	-0.043	-0.013	70.407	0.000	0.000	0.000	0.000	0.000	0.000
661	A	878	PRO	0	-0.009	0.010	64.954	0.000	0.000	0.000	0.000	0.000	0.000
662	A	879	LEU	0	0.031	-0.002	63.590	0.001	0.001	0.000	0.000	0.000	0.000
663	A	880	THR	0	-0.059	-0.040	67.717	0.000	0.000	0.000	0.000	0.000	0.000
664	A	881	GLY	0	0.069	0.055	70.970	-0.002	-0.002	0.000	0.000	0.000	0.000
665	A	882	ARG	1	0.879	0.913	72.348	-0.047	-0.047	0.000	0.000	0.000	0.000
666	A	883	LYS	1	0.833	0.926	67.312	-0.056	-0.056	0.000	0.000	0.000	0.000
667	A	884	TRP	0	0.060	0.036	65.783	0.002	0.002	0.000	0.000	0.000	0.000
668	A	885	TRP	0	-0.020	-0.038	60.302	0.002	0.002	0.000	0.000	0.000	0.000
669	A	886	MET	0	-0.048	-0.017	62.518	0.002	0.002	0.000	0.000	0.000	0.000
670	A	887	GLY	0	-0.010	0.011	62.305	0.002	0.002	0.000	0.000	0.000	0.000
671	A	888	ALA	0	-0.050	-0.011	60.285	0.000	0.000	0.000	0.000	0.000	0.000
672	A	889	GLU	-1	-0.934	-0.973	55.728	0.080	0.080	0.000	0.000	0.000	0.000
673	A	890	GLU	-1	-0.954	-0.969	53.342	0.095	0.095	0.000	0.000	0.000	0.000
674	A	891	PRO	0	0.015	0.026	56.440	-0.002	-0.002	0.000	0.000	0.000	0.000
675	A	892	TRP	0	0.007	-0.029	55.602	-0.003	-0.003	0.000	0.000	0.000	0.000
676	A	893	GLN	0	-0.052	-0.040	52.464	0.000	0.000	0.000	0.000	0.000	0.000
677	A	894	THR	0	-0.003	-0.010	56.694	-0.003	-0.003	0.000	0.000	0.000	0.000
678	A	895	LEU	0	0.009	0.007	60.201	-0.002	-0.002	0.000	0.000	0.000	0.000
679	A	896	ALA	0	0.011	0.002	57.913	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	897	CYS	0	-0.046	-0.015	59.433	-0.002	-0.002	0.000	0.000	0.000	0.000
681	A	898	CYS	0	-0.036	0.009	61.022	-0.003	-0.003	0.000	0.000	0.000	0.000
682	A	899	MET	0	-0.049	-0.024	62.583	-0.002	-0.002	0.000	0.000	0.000	0.000
683	A	900	GLU	-1	-0.762	-0.858	60.555	0.065	0.065	0.000	0.000	0.000	0.000
684	A	901	VAL	0	-0.017	-0.018	63.392	-0.002	-0.002	0.000	0.000	0.000	0.000
685	A	902	ALA	0	0.023	0.011	66.089	-0.002	-0.002	0.000	0.000	0.000	0.000
686	A	903	ASN	0	-0.031	-0.025	64.288	-0.003	-0.003	0.000	0.000	0.000	0.000
687	A	904	ALA	0	-0.024	-0.005	65.895	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	905	VAL	0	-0.024	-0.031	67.856	-0.002	-0.002	0.000	0.000	0.000	0.000
689	A	906	ARG	1	0.805	0.879	71.020	-0.051	-0.051	0.000	0.000	0.000	0.000
690	A	907	ALA	0	-0.021	0.014	69.515	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	908	SER	0	-0.005	-0.016	71.663	0.000	0.000	0.000	0.000	0.000	0.000
692	A	909	ASP	-1	-0.871	-0.935	72.076	0.041	0.041	0.000	0.000	0.000	0.000
693	A	910	PRO	0	0.014	0.011	69.682	0.002	0.002	0.000	0.000	0.000	0.000
694	A	911	ALA	0	0.003	0.006	67.941	0.002	0.002	0.000	0.000	0.000	0.000
695	A	912	ALA	0	-0.007	0.001	67.122	0.001	0.001	0.000	0.000	0.000	0.000
696	A	913	TYR	0	-0.023	-0.002	63.210	0.001	0.001	0.000	0.000	0.000	0.000
697	A	914	VAL	0	-0.024	-0.012	61.065	0.001	0.001	0.000	0.000	0.000	0.000
698	A	915	SER	0	-0.029	-0.031	60.623	0.001	0.001	0.000	0.000	0.000	0.000
699	A	916	HIS	0	-0.024	-0.028	56.493	-0.002	-0.002	0.000	0.000	0.000	0.000
700	A	917	LEU	0	-0.004	0.005	55.540	0.004	0.004	0.000	0.000	0.000	0.000
701	A	918	PRO	0	-0.047	-0.013	51.827	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	919	VAL	0	-0.001	0.007	54.000	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	920	HIS	1	0.839	0.921	51.262	-0.087	-0.087	0.000	0.000	0.000	0.000
704	A	921	GLN	0	-0.015	0.002	51.426	-0.007	-0.007	0.000	0.000	0.000	0.000
705	A	922	ASP	-1	-0.812	-0.931	49.146	0.094	0.094	0.000	0.000	0.000	0.000
706	A	923	GLY	0	0.005	0.031	48.196	-0.005	-0.005	0.000	0.000	0.000	0.000
707	A	924	SER	0	-0.021	-0.011	48.107	0.003	0.003	0.000	0.000	0.000	0.000
708	A	925	CYS	0	-0.044	-0.032	46.868	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	926	ASN	0	0.080	0.033	42.990	0.003	0.003	0.000	0.000	0.000	0.000
710	A	927	GLY	0	0.063	0.028	41.826	0.000	0.000	0.000	0.000	0.000	0.000
711	A	928	LEU	0	-0.032	-0.031	42.675	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	929	GLN	0	-0.012	0.003	45.425	0.000	0.000	0.000	0.000	0.000	0.000
713	A	930	HIS	0	0.073	0.061	41.501	-0.008	-0.008	0.000	0.000	0.000	0.000
714	A	931	TYR	0	0.000	-0.020	37.962	-0.003	-0.003	0.000	0.000	0.000	0.000
715	A	932	ALA	0	0.010	0.013	43.595	-0.004	-0.004	0.000	0.000	0.000	0.000
716	A	933	ALA	0	0.021	0.014	45.149	-0.004	-0.004	0.000	0.000	0.000	0.000
717	A	934	LEU	0	-0.115	-0.062	39.688	-0.003	-0.003	0.000	0.000	0.000	0.000
718	A	935	GLY	0	0.039	0.014	43.594	-0.004	-0.004	0.000	0.000	0.000	0.000
719	A	936	ARG	1	0.887	0.969	45.455	-0.053	-0.053	0.000	0.000	0.000	0.000
720	A	937	ASP	-1	-0.828	-0.907	48.412	0.047	0.047	0.000	0.000	0.000	0.000
721	A	938	SER	0	0.051	0.007	50.243	0.002	0.002	0.000	0.000	0.000	0.000
722	A	939	VAL	0	0.041	0.032	53.185	0.001	0.001	0.000	0.000	0.000	0.000
723	A	940	GLY	0	0.003	-0.007	50.245	0.002	0.002	0.000	0.000	0.000	0.000
724	A	941	ALA	0	0.008	-0.013	51.258	0.003	0.003	0.000	0.000	0.000	0.000
725	A	942	ALA	0	0.047	0.036	52.273	0.001	0.001	0.000	0.000	0.000	0.000
726	A	943	SER	0	-0.043	-0.030	52.537	0.001	0.001	0.000	0.000	0.000	0.000
727	A	944	VAL	0	-0.061	-0.033	49.046	0.002	0.002	0.000	0.000	0.000	0.000
728	A	945	ASN	0	0.023	0.013	51.744	0.000	0.000	0.000	0.000	0.000	0.000
729	A	946	LEU	0	-0.039	0.001	48.529	0.001	0.001	0.000	0.000	0.000	0.000
730	A	947	GLU	-1	-0.886	-0.965	52.969	0.041	0.041	0.000	0.000	0.000	0.000
731	A	948	PRO	0	-0.087	-0.028	56.404	0.001	0.001	0.000	0.000	0.000	0.000
732	A	949	SER	0	0.046	0.020	59.210	-0.002	-0.002	0.000	0.000	0.000	0.000
733	A	950	ASP	-1	-0.826	-0.897	61.693	0.044	0.044	0.000	0.000	0.000	0.000
734	A	951	VAL	0	-0.012	-0.005	62.860	0.001	0.001	0.000	0.000	0.000	0.000
735	A	952	PRO	0	-0.025	0.001	58.258	0.000	0.000	0.000	0.000	0.000	0.000
736	A	953	GLN	0	-0.011	0.003	56.511	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	954	ASP	-1	-0.782	-0.894	55.549	0.072	0.072	0.000	0.000	0.000	0.000
738	A	955	VAL	0	0.089	0.030	50.599	-0.001	-0.001	0.000	0.000	0.000	0.000
739	A	956	TYR	0	-0.043	-0.028	49.077	0.001	0.001	0.000	0.000	0.000	0.000
740	A	957	SER	0	-0.044	-0.023	53.790	0.000	0.000	0.000	0.000	0.000	0.000
741	A	958	GLY	0	0.052	0.036	56.363	-0.002	-0.002	0.000	0.000	0.000	0.000
742	A	959	VAL	0	-0.011	-0.022	51.056	-0.001	-0.001	0.000	0.000	0.000	0.000
743	A	960	ALA	0	-0.025	-0.018	54.366	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	961	ALA	0	0.031	0.023	56.618	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	962	GLN	0	0.050	0.020	54.844	-0.003	-0.003	0.000	0.000	0.000	0.000
746	A	963	VAL	0	-0.045	-0.027	53.422	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	964	GLU	-1	-0.798	-0.880	56.489	0.051	0.051	0.000	0.000	0.000	0.000
748	A	965	VAL	0	0.023	0.020	59.678	-0.002	-0.002	0.000	0.000	0.000	0.000
749	A	966	PHE	0	-0.033	-0.020	53.611	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	967	ARG	1	0.814	0.885	58.669	-0.052	-0.052	0.000	0.000	0.000	0.000
751	A	968	ARG	1	0.985	0.993	59.748	-0.041	-0.041	0.000	0.000	0.000	0.000
752	A	969	GLN	0	-0.018	-0.012	59.889	0.000	0.000	0.000	0.000	0.000	0.000
753	A	970	ASP	-1	-0.840	-0.921	57.107	0.051	0.051	0.000	0.000	0.000	0.000
754	A	971	ALA	0	-0.034	-0.023	60.646	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	972	GLN	0	0.001	-0.001	63.370	0.000	0.000	0.000	0.000	0.000	0.000
756	A	973	ARG	1	0.903	0.972	59.384	-0.042	-0.042	0.000	0.000	0.000	0.000
757	A	974	GLY	0	0.052	0.028	63.707	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	975	MET	0	-0.106	-0.035	55.755	0.002	0.002	0.000	0.000	0.000	0.000
759	A	976	ARG	1	0.984	0.984	57.218	-0.058	-0.058	0.000	0.000	0.000	0.000
760	A	977	VAL	0	0.023	-0.005	55.257	0.000	0.000	0.000	0.000	0.000	0.000
761	A	978	ALA	0	-0.026	-0.005	58.535	0.001	0.001	0.000	0.000	0.000	0.000
762	A	979	GLN	0	-0.025	-0.011	59.944	0.000	0.000	0.000	0.000	0.000	0.000
763	A	980	VAL	0	0.004	0.025	59.705	0.000	0.000	0.000	0.000	0.000	0.000
764	A	981	LEU	0	-0.077	-0.039	55.883	0.001	0.001	0.000	0.000	0.000	0.000
765	A	982	GLU	-1	-0.950	-0.970	60.511	0.047	0.047	0.000	0.000	0.000	0.000
766	A	983	GLY	0	0.040	0.026	63.744	0.000	0.000	0.000	0.000	0.000	0.000
767	A	984	PHE	0	0.049	0.019	59.332	0.002	0.002	0.000	0.000	0.000	0.000
768	A	985	ILE	0	-0.061	-0.025	56.456	0.004	0.004	0.000	0.000	0.000	0.000
769	A	986	THR	0	0.057	0.028	57.562	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	987	ARG	1	0.899	0.919	54.327	-0.070	-0.070	0.000	0.000	0.000	0.000
771	A	988	LYS	1	0.922	0.952	54.289	-0.074	-0.074	0.000	0.000	0.000	0.000
772	A	989	VAL	0	0.035	0.031	53.094	0.005	0.005	0.000	0.000	0.000	0.000
773	A	990	VAL	0	0.039	0.019	51.085	0.004	0.004	0.000	0.000	0.000	0.000
774	A	991	LYS	1	0.934	0.969	49.859	-0.082	-0.082	0.000	0.000	0.000	0.000
775	A	992	GLN	0	0.024	0.006	43.662	-0.002	-0.002	0.000	0.000	0.000	0.000
776	A	993	THR	0	0.018	0.013	45.000	0.003	0.003	0.000	0.000	0.000	0.000
777	A	994	VAL	0	-0.019	-0.014	45.272	0.002	0.002	0.000	0.000	0.000	0.000
778	A	995	MET	0	-0.022	-0.010	43.958	0.000	0.000	0.000	0.000	0.000	0.000
779	A	996	THR	0	0.001	-0.025	41.248	0.005	0.005	0.000	0.000	0.000	0.000
780	A	997	VAL	0	-0.003	0.007	40.554	0.007	0.007	0.000	0.000	0.000	0.000
781	A	998	VAL	0	-0.028	0.000	40.128	0.003	0.003	0.000	0.000	0.000	0.000
782	A	999	TYR	0	-0.019	-0.017	37.809	0.002	0.002	0.000	0.000	0.000	0.000
783	A	1000	GLY	0	0.037	0.017	35.817	0.012	0.012	0.000	0.000	0.000	0.000
784	A	1001	VAL	0	-0.081	-0.015	36.746	0.004	0.004	0.000	0.000	0.000	0.000
785	A	1002	THR	0	0.015	0.002	36.049	-0.009	-0.009	0.000	0.000	0.000	0.000
786	A	1003	ARG	1	1.005	0.985	39.341	-0.085	-0.085	0.000	0.000	0.000	0.000
787	A	1004	TYR	0	-0.001	0.010	38.340	-0.004	-0.004	0.000	0.000	0.000	0.000
788	A	1005	GLY	0	0.015	-0.001	39.837	0.000	0.000	0.000	0.000	0.000	0.000
789	A	1006	GLY	0	0.059	0.013	40.679	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	1007	ARG	1	0.871	0.948	43.954	-0.110	-0.110	0.000	0.000	0.000	0.000
791	A	1008	LEU	0	-0.013	-0.004	41.006	-0.002	-0.002	0.000	0.000	0.000	0.000
792	A	1009	GLN	0	-0.030	-0.005	42.475	-0.006	-0.006	0.000	0.000	0.000	0.000
793	A	1010	ILE	0	0.038	0.019	46.341	-0.003	-0.003	0.000	0.000	0.000	0.000
794	A	1011	GLU	-1	-0.865	-0.943	47.162	0.106	0.106	0.000	0.000	0.000	0.000
795	A	1012	LYS	1	0.912	0.947	45.888	-0.125	-0.125	0.000	0.000	0.000	0.000
796	A	1013	ARG	1	0.844	0.932	49.005	-0.099	-0.099	0.000	0.000	0.000	0.000
797	A	1014	LEU	0	0.003	0.008	52.813	-0.003	-0.003	0.000	0.000	0.000	0.000
798	A	1015	ARG	1	0.920	0.946	50.310	-0.097	-0.097	0.000	0.000	0.000	0.000
799	A	1016	GLU	-1	-0.909	-0.935	53.987	0.089	0.089	0.000	0.000	0.000	0.000
800	A	1017	LEU	0	0.003	0.004	56.634	-0.002	-0.002	0.000	0.000	0.000	0.000
801	A	1018	SER	0	-0.072	-0.011	59.547	-0.003	-0.003	0.000	0.000	0.000	0.000
802	A	1019	ASP	-1	-0.818	-0.914	61.941	0.058	0.058	0.000	0.000	0.000	0.000
803	A	1020	PHE	0	-0.085	-0.047	56.415	0.000	0.000	0.000	0.000	0.000	0.000
804	A	1021	PRO	0	0.072	0.054	60.410	0.003	0.003	0.000	0.000	0.000	0.000
805	A	1022	GLN	0	-0.007	-0.044	56.402	0.005	0.005	0.000	0.000	0.000	0.000
806	A	1023	GLU	-1	-0.907	-0.950	56.425	0.067	0.067	0.000	0.000	0.000	0.000
807	A	1024	PHE	0	0.018	0.002	56.301	0.002	0.002	0.000	0.000	0.000	0.000
808	A	1025	VAL	0	-0.026	0.019	51.638	0.002	0.002	0.000	0.000	0.000	0.000
809	A	1026	TRP	0	0.011	0.009	46.046	0.002	0.002	0.000	0.000	0.000	0.000
810	A	1027	GLU	-1	-0.813	-0.923	50.606	0.068	0.068	0.000	0.000	0.000	0.000
811	A	1028	ALA	0	0.054	0.027	52.836	-0.001	-0.001	0.000	0.000	0.000	0.000
812	A	1029	SER	0	0.001	-0.015	49.138	0.001	0.001	0.000	0.000	0.000	0.000
813	A	1030	HIS	0	-0.058	-0.029	46.388	0.000	0.000	0.000	0.000	0.000	0.000
814	A	1031	TYR	0	-0.060	-0.059	49.098	0.001	0.001	0.000	0.000	0.000	0.000
815	A	1032	LEU	0	0.047	0.017	51.614	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	1033	VAL	0	-0.013	0.008	44.969	0.000	0.000	0.000	0.000	0.000	0.000
817	A	1034	ARG	1	0.873	0.937	46.989	-0.068	-0.068	0.000	0.000	0.000	0.000
818	A	1035	GLN	0	0.025	0.024	48.442	-0.003	-0.003	0.000	0.000	0.000	0.000
819	A	1036	VAL	0	0.047	0.036	47.748	-0.002	-0.002	0.000	0.000	0.000	0.000
820	A	1037	PHE	0	-0.049	-0.043	41.431	0.000	0.000	0.000	0.000	0.000	0.000
821	A	1038	LYS	1	0.888	0.965	47.065	-0.053	-0.053	0.000	0.000	0.000	0.000
822	A	1039	SER	0	0.051	0.011	49.690	-0.003	-0.003	0.000	0.000	0.000	0.000
823	A	1040	LEU	0	-0.002	0.001	45.984	-0.002	-0.002	0.000	0.000	0.000	0.000
824	A	1041	GLN	0	-0.066	-0.050	44.498	0.004	0.004	0.000	0.000	0.000	0.000
825	A	1042	GLU	-1	-0.882	-0.928	47.695	0.049	0.049	0.000	0.000	0.000	0.000
826	A	1043	MET	0	-0.030	-0.016	51.094	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	1044	PHE	0	-0.012	-0.002	47.036	0.000	0.000	0.000	0.000	0.000	0.000
828	A	1045	SER	0	0.034	0.010	46.658	0.002	0.002	0.000	0.000	0.000	0.000
829	A	1046	GLY	0	0.060	0.040	46.330	0.000	0.000	0.000	0.000	0.000	0.000
830	A	1047	THR	0	-0.014	-0.017	42.735	0.000	0.000	0.000	0.000	0.000	0.000
831	A	1048	ARG	1	0.945	0.986	42.169	-0.063	-0.063	0.000	0.000	0.000	0.000
832	A	1049	ALA	0	0.033	0.027	41.250	0.002	0.002	0.000	0.000	0.000	0.000
833	A	1050	ILE	0	0.033	0.018	38.701	0.001	0.001	0.000	0.000	0.000	0.000
834	A	1051	GLN	0	-0.037	-0.023	37.725	0.001	0.001	0.000	0.000	0.000	0.000
835	A	1052	HIS	0	0.005	-0.002	36.415	0.011	0.011	0.000	0.000	0.000	0.000
836	A	1053	TRP	0	-0.004	0.001	34.873	0.007	0.007	0.000	0.000	0.000	0.000
837	A	1054	LEU	0	-0.001	0.008	33.340	0.001	0.001	0.000	0.000	0.000	0.000
838	A	1055	THR	0	-0.037	-0.032	31.719	0.012	0.012	0.000	0.000	0.000	0.000
839	A	1056	GLU	-1	-0.850	-0.917	30.994	0.064	0.064	0.000	0.000	0.000	0.000
840	A	1057	SER	0	0.009	-0.001	30.314	-0.005	-0.005	0.000	0.000	0.000	0.000
841	A	1058	ALA	0	-0.008	0.001	27.309	0.001	0.001	0.000	0.000	0.000	0.000
842	A	1059	ARG	1	0.822	0.900	26.083	-0.056	-0.056	0.000	0.000	0.000	0.000
843	A	1060	LEU	0	-0.003	0.000	25.879	0.006	0.006	0.000	0.000	0.000	0.000
844	A	1061	ILE	0	0.024	0.028	22.849	-0.007	-0.007	0.000	0.000	0.000	0.000
845	A	1062	SER	0	0.006	-0.018	21.673	0.016	0.016	0.000	0.000	0.000	0.000
846	A	1063	HIS	0	-0.127	-0.054	20.901	0.028	0.028	0.000	0.000	0.000	0.000
847	A	1064	MET	0	0.001	0.029	20.460	-0.019	-0.019	0.000	0.000	0.000	0.000
848	A	1065	GLY	0	-0.045	-0.018	16.877	-0.020	-0.020	0.000	0.000	0.000	0.000
849	A	1066	SER	0	-0.019	-0.014	16.312	0.031	0.031	0.000	0.000	0.000	0.000
850	A	1067	VAL	0	-0.065	-0.041	18.542	-0.002	-0.002	0.000	0.000	0.000	0.000
851	A	1068	VAL	0	0.014	0.010	20.614	-0.016	-0.016	0.000	0.000	0.000	0.000
852	A	1069	GLU	-1	-0.844	-0.919	20.298	0.285	0.285	0.000	0.000	0.000	0.000
853	A	1070	TRP	0	-0.021	-0.029	24.543	-0.022	-0.022	0.000	0.000	0.000	0.000
854	A	1071	VAL	0	0.015	0.015	27.182	0.019	0.019	0.000	0.000	0.000	0.000
855	A	1072	THR	0	-0.006	0.006	29.480	-0.015	-0.015	0.000	0.000	0.000	0.000
856	A	1073	PRO	0	0.042	0.012	32.705	-0.002	-0.002	0.000	0.000	0.000	0.000
857	A	1074	LEU	0	-0.063	-0.034	34.811	-0.007	-0.007	0.000	0.000	0.000	0.000
858	A	1075	GLY	0	-0.002	0.010	31.626	0.001	0.001	0.000	0.000	0.000	0.000
859	A	1076	VAL	0	0.026	0.015	28.749	0.011	0.011	0.000	0.000	0.000	0.000
860	A	1077	PRO	0	0.002	0.013	24.456	-0.010	-0.010	0.000	0.000	0.000	0.000
861	A	1078	VAL	0	-0.017	-0.014	25.961	0.023	0.023	0.000	0.000	0.000	0.000
862	A	1079	ILE	0	0.040	0.014	19.860	-0.010	-0.010	0.000	0.000	0.000	0.000
863	A	1080	GLN	0	-0.028	-0.006	23.313	0.008	0.008	0.000	0.000	0.000	0.000
864	A	1081	PRO	0	0.033	0.005	20.598	0.021	0.021	0.000	0.000	0.000	0.000
865	A	1082	TYR	0	-0.027	-0.013	20.365	0.037	0.037	0.000	0.000	0.000	0.000
866	A	1083	ARG	1	0.981	0.990	14.959	-0.569	-0.569	0.000	0.000	0.000	0.000
867	A	1084	LEU	0	-0.036	-0.028	17.761	-0.011	-0.011	0.000	0.000	0.000	0.000
868	A	1085	ASP	-1	-0.887	-0.910	15.011	1.013	1.013	0.000	0.000	0.000	0.000
869	A	1107	SER	0	0.069	0.033	8.294	0.067	0.067	0.000	0.000	0.000	0.000
870	A	1108	ARG	1	0.856	0.917	9.530	-0.994	-0.994	0.000	0.000	0.000	0.000
871	A	1109	LYS	1	1.052	1.023	13.321	-0.291	-0.291	0.000	0.000	0.000	0.000
872	A	1110	PRO	0	0.024	0.026	15.490	0.045	0.045	0.000	0.000	0.000	0.000
873	A	1111	ASN	0	-0.018	-0.002	18.793	-0.061	-0.061	0.000	0.000	0.000	0.000
874	A	1112	THR	0	0.107	0.037	21.848	-0.010	-0.010	0.000	0.000	0.000	0.000
875	A	1113	ARG	1	0.955	0.985	24.069	-0.199	-0.199	0.000	0.000	0.000	0.000
876	A	1114	LYS	1	0.890	0.936	25.217	-0.293	-0.293	0.000	0.000	0.000	0.000
877	A	1115	GLN	0	0.023	0.020	22.086	-0.032	-0.032	0.000	0.000	0.000	0.000
878	A	1116	LYS	1	0.961	0.993	25.833	-0.143	-0.143	0.000	0.000	0.000	0.000
879	A	1117	ASN	0	-0.045	-0.046	28.879	-0.018	-0.018	0.000	0.000	0.000	0.000
880	A	1118	GLY	0	-0.002	0.009	29.454	-0.006	-0.006	0.000	0.000	0.000	0.000
881	A	1119	PHE	0	0.036	0.035	28.762	0.002	0.002	0.000	0.000	0.000	0.000
882	A	1120	PRO	0	0.015	0.012	30.425	-0.001	-0.001	0.000	0.000	0.000	0.000
883	A	1121	PRO	0	-0.013	-0.001	33.057	-0.003	-0.003	0.000	0.000	0.000	0.000
884	A	1122	ASN	0	0.013	-0.001	28.900	-0.001	-0.001	0.000	0.000	0.000	0.000
885	A	1123	PHE	0	0.048	0.028	32.296	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	1124	ILE	0	0.011	0.014	33.492	-0.005	-0.005	0.000	0.000	0.000	0.000
887	A	1125	HIS	0	-0.081	-0.044	34.159	0.003	0.003	0.000	0.000	0.000	0.000
888	A	1126	SER	0	-0.013	-0.003	32.101	-0.002	-0.002	0.000	0.000	0.000	0.000
889	A	1127	LEU	0	-0.029	-0.002	34.199	-0.005	-0.005	0.000	0.000	0.000	0.000
890	A	1128	ASP	-1	-0.798	-0.900	37.609	0.131	0.131	0.000	0.000	0.000	0.000
891	A	1129	SER	0	0.020	-0.005	34.617	-0.005	-0.005	0.000	0.000	0.000	0.000
892	A	1130	SER	0	0.010	-0.018	35.958	-0.002	-0.002	0.000	0.000	0.000	0.000
893	A	1131	HIS	0	-0.055	-0.031	37.981	-0.002	-0.002	0.000	0.000	0.000	0.000
894	A	1132	MET	0	-0.005	0.044	38.621	-0.006	-0.006	0.000	0.000	0.000	0.000
895	A	1133	MET	0	-0.003	0.000	34.266	-0.004	-0.004	0.000	0.000	0.000	0.000
896	A	1134	LEU	0	0.006	0.012	40.140	-0.004	-0.004	0.000	0.000	0.000	0.000
897	A	1135	THR	0	-0.017	-0.012	42.510	-0.007	-0.007	0.000	0.000	0.000	0.000
898	A	1136	ALA	0	0.041	0.030	42.333	-0.004	-0.004	0.000	0.000	0.000	0.000
899	A	1137	LEU	0	0.037	0.022	39.413	-0.005	-0.005	0.000	0.000	0.000	0.000
900	A	1138	HIS	1	0.756	0.848	43.930	-0.081	-0.081	0.000	0.000	0.000	0.000
901	A	1139	CYS	0	-0.058	-0.017	47.230	-0.005	-0.005	0.000	0.000	0.000	0.000
902	A	1140	TYR	0	0.063	0.044	45.990	-0.002	-0.002	0.000	0.000	0.000	0.000
903	A	1141	ARG	1	0.927	0.974	46.704	-0.067	-0.067	0.000	0.000	0.000	0.000
904	A	1142	LYS	1	0.906	0.949	49.748	-0.062	-0.062	0.000	0.000	0.000	0.000
905	A	1143	GLY	0	0.081	0.052	51.667	-0.002	-0.002	0.000	0.000	0.000	0.000
906	A	1144	LEU	0	-0.074	-0.032	50.766	0.000	0.000	0.000	0.000	0.000	0.000
907	A	1145	THR	0	0.012	0.019	49.204	0.004	0.004	0.000	0.000	0.000	0.000
908	A	1146	PHE	0	0.006	-0.019	43.851	-0.002	-0.002	0.000	0.000	0.000	0.000
909	A	1147	VAL	0	0.019	0.011	44.748	0.005	0.005	0.000	0.000	0.000	0.000
910	A	1148	SER	0	-0.008	-0.027	42.208	-0.003	-0.003	0.000	0.000	0.000	0.000
911	A	1149	VAL	0	-0.020	-0.012	42.562	0.007	0.007	0.000	0.000	0.000	0.000
912	A	1150	HIS	0	-0.038	-0.019	37.540	-0.006	-0.006	0.000	0.000	0.000	0.000
913	A	1151	ASP	-1	-0.858	-0.940	41.454	0.113	0.113	0.000	0.000	0.000	0.000
914	A	1152	CYS	0	-0.054	0.004	44.446	-0.007	-0.007	0.000	0.000	0.000	0.000
915	A	1153	TYR	0	-0.026	-0.032	43.958	0.007	0.007	0.000	0.000	0.000	0.000
916	A	1154	TRP	0	0.008	-0.021	48.023	-0.003	-0.003	0.000	0.000	0.000	0.000
917	A	1155	THR	0	0.042	0.008	49.565	0.001	0.001	0.000	0.000	0.000	0.000
918	A	1156	HIS	0	0.022	0.015	52.358	0.000	0.000	0.000	0.000	0.000	0.000
919	A	1157	ALA	0	0.027	0.002	55.810	-0.001	-0.001	0.000	0.000	0.000	0.000
920	A	1158	ALA	0	-0.003	0.009	58.880	-0.002	-0.002	0.000	0.000	0.000	0.000
921	A	1159	ASP	-1	-0.906	-0.955	55.475	0.062	0.062	0.000	0.000	0.000	0.000
922	A	1160	VAL	0	0.008	0.003	55.522	0.002	0.002	0.000	0.000	0.000	0.000
923	A	1161	SER	0	-0.006	-0.011	55.791	0.001	0.001	0.000	0.000	0.000	0.000
924	A	1162	VAL	0	0.050	0.029	53.754	0.000	0.000	0.000	0.000	0.000	0.000
925	A	1163	MET	0	0.035	0.027	50.321	0.002	0.002	0.000	0.000	0.000	0.000
926	A	1164	ASN	0	0.000	-0.009	51.544	0.005	0.005	0.000	0.000	0.000	0.000
927	A	1165	GLN	0	0.014	0.006	53.135	0.000	0.000	0.000	0.000	0.000	0.000
928	A	1166	VAL	0	-0.030	-0.013	48.423	-0.001	-0.001	0.000	0.000	0.000	0.000
929	A	1167	CYS	0	-0.006	0.002	48.222	0.001	0.001	0.000	0.000	0.000	0.000
930	A	1168	ARG	1	0.804	0.910	48.357	-0.061	-0.061	0.000	0.000	0.000	0.000
931	A	1169	GLU	-1	-0.906	-0.957	49.704	0.053	0.053	0.000	0.000	0.000	0.000
932	A	1170	GLN	0	0.015	-0.021	45.118	0.001	0.001	0.000	0.000	0.000	0.000
933	A	1171	PHE	0	-0.026	0.012	45.087	0.003	0.003	0.000	0.000	0.000	0.000
934	A	1172	VAL	0	0.012	0.001	45.775	0.001	0.001	0.000	0.000	0.000	0.000
935	A	1173	ARG	1	0.823	0.906	44.404	-0.066	-0.066	0.000	0.000	0.000	0.000
936	A	1174	LEU	0	-0.021	0.004	39.223	-0.001	-0.001	0.000	0.000	0.000	0.000
937	A	1175	HIS	1	0.837	0.877	41.945	-0.080	-0.080	0.000	0.000	0.000	0.000
938	A	1176	SER	0	-0.008	-0.009	44.199	-0.004	-0.004	0.000	0.000	0.000	0.000
939	A	1177	GLU	-1	-0.928	-0.943	40.065	0.062	0.062	0.000	0.000	0.000	0.000
940	A	1178	PRO	0	-0.010	0.010	40.741	0.001	0.001	0.000	0.000	0.000	0.000
941	A	1179	ILE	0	0.040	0.008	37.175	0.001	0.001	0.000	0.000	0.000	0.000
942	A	1180	LEU	0	-0.003	-0.001	37.044	0.004	0.004	0.000	0.000	0.000	0.000
943	A	1181	GLN	0	0.036	0.013	36.563	0.000	0.000	0.000	0.000	0.000	0.000
944	A	1182	ASP	-1	-0.842	-0.929	35.591	0.048	0.048	0.000	0.000	0.000	0.000
945	A	1183	LEU	0	-0.021	-0.003	31.177	0.002	0.002	0.000	0.000	0.000	0.000
946	A	1184	SER	0	-0.037	-0.037	31.826	0.000	0.000	0.000	0.000	0.000	0.000
947	A	1185	ARG	1	0.909	0.935	32.120	-0.039	-0.039	0.000	0.000	0.000	0.000
948	A	1186	PHE	0	-0.032	-0.002	25.640	-0.008	-0.008	0.000	0.000	0.000	0.000
949	A	1187	LEU	0	-0.022	-0.019	27.366	-0.001	-0.001	0.000	0.000	0.000	0.000
950	A	1188	VAL	0	0.030	0.017	27.246	-0.007	-0.007	0.000	0.000	0.000	0.000
951	A	1189	LYS	1	0.966	0.985	26.556	-0.033	-0.033	0.000	0.000	0.000	0.000
952	A	1190	ARG	1	0.797	0.896	18.480	-0.168	-0.168	0.000	0.000	0.000	0.000
953	A	1191	PHE	0	0.011	-0.008	21.045	0.006	0.006	0.000	0.000	0.000	0.000
954	A	1192	CYS	0	-0.060	-0.010	23.674	-0.014	-0.014	0.000	0.000	0.000	0.000
955	A	1193	SER	0	0.007	-0.009	22.798	-0.008	-0.008	0.000	0.000	0.000	0.000
956	A	1194	GLU	-1	-0.946	-0.969	18.673	-0.098	-0.098	0.000	0.000	0.000	0.000
957	A	1195	PRO	0	-0.008	0.014	19.411	0.007	0.007	0.000	0.000	0.000	0.000
958	A	1196	GLN	0	-0.035	-0.020	19.743	0.010	0.010	0.000	0.000	0.000	0.000
959	A	1197	LYS	1	0.883	0.963	18.743	0.118	0.118	0.000	0.000	0.000	0.000
960	A	1198	ILE	0	0.114	0.041	22.678	0.017	0.017	0.000	0.000	0.000	0.000
961	A	1199	LEU	0	0.051	0.017	25.408	0.017	0.017	0.000	0.000	0.000	0.000
962	A	1200	GLU	-1	-0.846	-0.944	22.162	-0.029	-0.029	0.000	0.000	0.000	0.000
963	A	1201	ALA	0	0.049	0.023	24.910	0.019	0.019	0.000	0.000	0.000	0.000
964	A	1202	SER	0	-0.075	-0.034	26.633	0.012	0.012	0.000	0.000	0.000	0.000
965	A	1203	GLN	0	0.069	0.033	29.327	0.007	0.007	0.000	0.000	0.000	0.000
966	A	1204	LEU	0	-0.009	-0.005	25.479	0.013	0.013	0.000	0.000	0.000	0.000
967	A	1205	LYS	1	0.971	0.971	29.338	0.050	0.050	0.000	0.000	0.000	0.000
968	A	1206	GLU	-1	-0.941	-0.962	31.449	-0.013	-0.013	0.000	0.000	0.000	0.000
969	A	1207	THR	0	-0.035	-0.017	31.573	0.009	0.009	0.000	0.000	0.000	0.000
970	A	1208	LEU	0	0.008	0.007	28.583	0.008	0.008	0.000	0.000	0.000	0.000
971	A	1209	GLN	0	0.030	0.010	33.202	0.002	0.002	0.000	0.000	0.000	0.000
972	A	1210	ALA	0	-0.018	0.022	36.250	-0.001	-0.001	0.000	0.000	0.000	0.000
973	A	1211	VAL	0	-0.046	-0.018	37.247	0.006	0.006	0.000	0.000	0.000	0.000
974	A	1212	PRO	0	-0.039	-0.032	39.045	-0.004	-0.004	0.000	0.000	0.000	0.000
975	A	1213	LYS	1	0.948	0.972	42.307	-0.022	-0.022	0.000	0.000	0.000	0.000
976	A	1214	PRO	0	-0.031	-0.007	45.350	0.002	0.002	0.000	0.000	0.000	0.000
977	A	1215	GLY	0	0.014	0.004	47.319	-0.003	-0.003	0.000	0.000	0.000	0.000
978	A	1216	ALA	0	0.006	-0.006	50.700	-0.001	-0.001	0.000	0.000	0.000	0.000
979	A	1217	PHE	0	-0.038	-0.016	51.126	0.000	0.000	0.000	0.000	0.000	0.000
980	A	1218	ASP	-1	-0.815	-0.906	52.576	0.038	0.038	0.000	0.000	0.000	0.000
981	A	1219	LEU	0	-0.054	-0.045	47.591	0.002	0.002	0.000	0.000	0.000	0.000
982	A	1220	GLU	-1	-0.864	-0.944	51.720	0.047	0.047	0.000	0.000	0.000	0.000
983	A	1221	GLN	0	-0.013	-0.005	54.101	0.000	0.000	0.000	0.000	0.000	0.000
984	A	1222	VAL	0	0.005	0.011	50.396	0.001	0.001	0.000	0.000	0.000	0.000
985	A	1223	LYS	1	0.840	0.921	52.750	-0.046	-0.046	0.000	0.000	0.000	0.000
986	A	1224	ARG	1	0.941	0.971	55.182	-0.041	-0.041	0.000	0.000	0.000	0.000
987	A	1225	SER	0	-0.038	0.003	55.220	-0.001	-0.001	0.000	0.000	0.000	0.000
988	A	1226	THR	0	0.050	0.012	56.255	0.003	0.003	0.000	0.000	0.000	0.000
989	A	1227	TYR	0	0.019	0.004	56.641	0.003	0.003	0.000	0.000	0.000	0.000
990	A	1228	PHE	0	-0.014	0.018	47.784	0.003	0.003	0.000	0.000	0.000	0.000
991	A	1229	PHE	0	0.033	-0.012	45.983	0.004	0.004	0.000	0.000	0.000	0.000
992	A	1230	SER	0	0.003	0.025	52.209	-0.002	-0.002	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:218:GLN)