FMO DATABASE

FMODB ID: VKR11

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	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	992
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-29970979.717856
FMO2-HF: Nuclear repulsion	29573622.797704
FMO2-HF: Total energy	-397356.920152
FMO2-MP2: Total energy	-398506.535131

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.
-3.18	-1.184	-0.018	-1.012	-0.965	0.007

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 : 0.049 / q_NPA : 0.026

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	0.070	0.012	3.869	1.573	3.574	-0.017	-1.007	-0.976	0.007
4	A	221	GLY	0	0.045	0.020	6.332	-0.558	-0.558	0.000	0.000	0.000	0.000
5	A	222	GLN	0	0.017	0.013	9.724	-0.287	-0.287	0.000	0.000	0.000	0.000
6	A	223	GLN	0	0.049	0.022	5.185	0.062	0.057	-0.001	-0.005	0.011	0.000
7	A	224	GLN	0	-0.013	-0.008	7.717	-0.280	-0.280	0.000	0.000	0.000	0.000
8	A	225	ARG	1	0.795	0.878	10.676	-0.606	-0.606	0.000	0.000	0.000	0.000
9	A	226	LEU	0	0.033	0.016	11.873	-0.032	-0.032	0.000	0.000	0.000	0.000
10	A	227	LEU	0	0.022	0.011	9.410	0.005	0.005	0.000	0.000	0.000	0.000
11	A	228	ALA	0	-0.032	-0.015	12.875	0.014	0.014	0.000	0.000	0.000	0.000
12	A	229	PHE	0	0.023	0.002	15.534	0.003	0.003	0.000	0.000	0.000	0.000
13	A	230	PHE	0	0.034	0.006	14.059	-0.003	-0.003	0.000	0.000	0.000	0.000
14	A	231	LYS	1	0.960	0.973	12.285	0.222	0.222	0.000	0.000	0.000	0.000
15	A	232	CYS	0	-0.016	0.012	18.101	0.016	0.016	0.000	0.000	0.000	0.000
16	A	233	CYS	0	-0.030	-0.004	20.922	0.008	0.008	0.000	0.000	0.000	0.000
17	A	234	LEU	0	-0.040	-0.007	19.213	-0.003	-0.003	0.000	0.000	0.000	0.000
18	A	235	LEU	0	-0.072	-0.023	21.965	0.005	0.005	0.000	0.000	0.000	0.000
19	A	236	THR	0	-0.058	-0.054	24.985	0.001	0.001	0.000	0.000	0.000	0.000
20	A	237	ASP	-1	-0.801	-0.876	26.168	-0.046	-0.046	0.000	0.000	0.000	0.000
21	A	238	GLN	0	0.001	0.014	25.714	0.002	0.002	0.000	0.000	0.000	0.000
22	A	239	LEU	0	0.017	0.014	22.929	-0.006	-0.006	0.000	0.000	0.000	0.000
23	A	240	PRO	0	0.030	0.008	24.534	-0.012	-0.012	0.000	0.000	0.000	0.000
24	A	241	LEU	0	-0.015	0.009	24.219	-0.004	-0.004	0.000	0.000	0.000	0.000
25	A	242	ALA	0	0.019	-0.011	20.580	-0.004	-0.004	0.000	0.000	0.000	0.000
26	A	243	HIS	0	0.021	0.014	20.480	-0.029	-0.029	0.000	0.000	0.000	0.000
27	A	244	HIS	0	-0.021	-0.003	21.729	-0.030	-0.030	0.000	0.000	0.000	0.000
28	A	245	LEU	0	0.016	0.022	18.434	-0.008	-0.008	0.000	0.000	0.000	0.000
29	A	246	LEU	0	-0.015	-0.003	15.367	-0.020	-0.020	0.000	0.000	0.000	0.000
30	A	247	VAL	0	0.035	0.008	18.176	-0.033	-0.033	0.000	0.000	0.000	0.000
31	A	248	VAL	0	0.016	0.018	20.645	-0.011	-0.011	0.000	0.000	0.000	0.000
32	A	249	HIS	0	-0.107	-0.070	14.371	0.022	0.022	0.000	0.000	0.000	0.000
33	A	250	HIS	1	0.822	0.882	15.917	0.330	0.330	0.000	0.000	0.000	0.000
34	A	251	GLY	0	0.025	0.017	17.339	-0.016	-0.016	0.000	0.000	0.000	0.000
35	A	252	GLN	0	0.018	0.021	18.331	0.026	0.026	0.000	0.000	0.000	0.000
36	A	253	ARG	1	1.020	0.999	16.666	0.162	0.162	0.000	0.000	0.000	0.000
37	A	254	GLN	0	0.026	0.005	13.725	-0.106	-0.106	0.000	0.000	0.000	0.000
38	A	255	LYS	1	0.848	0.948	12.996	0.048	0.048	0.000	0.000	0.000	0.000
39	A	256	ARG	1	0.874	0.946	12.742	0.302	0.302	0.000	0.000	0.000	0.000
40	A	257	LYS	1	0.904	0.943	9.117	0.289	0.289	0.000	0.000	0.000	0.000
41	A	258	LEU	0	-0.028	-0.005	8.097	-0.193	-0.193	0.000	0.000	0.000	0.000
42	A	259	LEU	0	-0.010	0.001	9.044	-0.102	-0.102	0.000	0.000	0.000	0.000
43	A	260	THR	0	0.005	-0.010	6.170	-0.263	-0.263	0.000	0.000	0.000	0.000
44	A	261	LEU	0	0.074	0.039	8.801	0.177	0.177	0.000	0.000	0.000	0.000
45	A	262	ASP	-1	-0.878	-0.938	9.138	-0.666	-0.666	0.000	0.000	0.000	0.000
46	A	263	MET	0	-0.116	-0.045	8.800	0.174	0.174	0.000	0.000	0.000	0.000
47	A	264	TYR	0	0.071	0.036	12.107	0.118	0.118	0.000	0.000	0.000	0.000
48	A	265	ASN	0	0.047	0.017	13.772	0.082	0.082	0.000	0.000	0.000	0.000
49	A	266	ALA	0	-0.039	0.001	15.407	0.048	0.048	0.000	0.000	0.000	0.000
50	A	267	VAL	0	0.023	0.009	17.183	0.034	0.034	0.000	0.000	0.000	0.000
51	A	268	MET	0	-0.025	0.001	17.634	0.027	0.027	0.000	0.000	0.000	0.000
52	A	269	LEU	0	0.008	-0.004	19.797	0.019	0.019	0.000	0.000	0.000	0.000
53	A	270	GLY	0	0.000	-0.009	21.531	0.019	0.019	0.000	0.000	0.000	0.000
54	A	271	TRP	0	0.024	-0.010	22.955	0.019	0.019	0.000	0.000	0.000	0.000
55	A	272	ALA	0	-0.017	-0.011	24.401	0.010	0.010	0.000	0.000	0.000	0.000
56	A	273	ARG	1	0.854	0.889	22.737	0.085	0.085	0.000	0.000	0.000	0.000
57	A	274	GLN	0	-0.040	-0.030	27.760	0.003	0.003	0.000	0.000	0.000	0.000
58	A	275	GLY	0	0.015	0.020	29.270	0.005	0.005	0.000	0.000	0.000	0.000
59	A	276	ALA	0	-0.014	-0.003	28.069	0.001	0.001	0.000	0.000	0.000	0.000
60	A	277	PHE	0	0.037	-0.020	27.654	-0.013	-0.013	0.000	0.000	0.000	0.000
61	A	278	LYS	1	0.959	0.980	27.784	0.088	0.088	0.000	0.000	0.000	0.000
62	A	279	GLU	-1	-0.849	-0.931	25.846	-0.112	-0.112	0.000	0.000	0.000	0.000
63	A	280	LEU	0	-0.003	0.004	23.137	-0.019	-0.019	0.000	0.000	0.000	0.000
64	A	281	VAL	0	0.006	-0.006	22.895	-0.024	-0.024	0.000	0.000	0.000	0.000
65	A	282	TYR	0	-0.006	-0.003	23.474	-0.019	-0.019	0.000	0.000	0.000	0.000
66	A	283	VAL	0	-0.017	-0.016	18.433	-0.020	-0.020	0.000	0.000	0.000	0.000
67	A	284	LEU	0	0.006	-0.009	19.017	-0.041	-0.041	0.000	0.000	0.000	0.000
68	A	285	PHE	0	-0.006	0.010	19.881	-0.027	-0.027	0.000	0.000	0.000	0.000
69	A	286	MET	0	-0.006	-0.002	17.965	-0.020	-0.020	0.000	0.000	0.000	0.000
70	A	287	VAL	0	-0.008	0.000	14.530	-0.048	-0.048	0.000	0.000	0.000	0.000
71	A	288	LYS	1	1.010	0.998	15.471	0.218	0.218	0.000	0.000	0.000	0.000
72	A	289	ASP	-1	-0.822	-0.880	18.032	-0.318	-0.318	0.000	0.000	0.000	0.000
73	A	290	ALA	0	-0.116	-0.044	13.124	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	291	GLY	0	-0.036	-0.008	13.830	-0.032	-0.032	0.000	0.000	0.000	0.000
75	A	292	LEU	0	-0.062	-0.038	9.188	-0.056	-0.056	0.000	0.000	0.000	0.000
76	A	293	THR	0	0.057	0.019	12.989	0.053	0.053	0.000	0.000	0.000	0.000
77	A	294	PRO	0	-0.060	-0.020	14.009	-0.039	-0.039	0.000	0.000	0.000	0.000
78	A	295	ASP	-1	-0.732	-0.870	13.772	-0.367	-0.367	0.000	0.000	0.000	0.000
79	A	296	LEU	0	0.013	-0.003	15.948	0.029	0.029	0.000	0.000	0.000	0.000
80	A	297	LEU	0	-0.016	-0.012	15.003	0.027	0.027	0.000	0.000	0.000	0.000
81	A	298	SER	0	-0.019	-0.032	16.352	0.010	0.010	0.000	0.000	0.000	0.000
82	A	299	TYR	0	-0.014	-0.028	18.598	0.029	0.029	0.000	0.000	0.000	0.000
83	A	300	ALA	0	0.001	0.010	21.070	0.020	0.020	0.000	0.000	0.000	0.000
84	A	301	ALA	0	-0.011	-0.005	20.861	0.020	0.020	0.000	0.000	0.000	0.000
85	A	302	ALA	0	0.021	-0.007	22.786	0.016	0.016	0.000	0.000	0.000	0.000
86	A	303	LEU	0	0.036	0.007	24.926	0.013	0.013	0.000	0.000	0.000	0.000
87	A	304	GLN	0	0.000	0.012	24.934	0.017	0.017	0.000	0.000	0.000	0.000
88	A	305	CYS	0	-0.031	0.013	26.880	0.013	0.013	0.000	0.000	0.000	0.000
89	A	306	MET	0	-0.032	-0.010	27.593	0.006	0.006	0.000	0.000	0.000	0.000
90	A	307	GLY	0	0.025	0.034	30.809	0.006	0.006	0.000	0.000	0.000	0.000
91	A	308	ARG	1	0.759	0.853	28.504	0.076	0.076	0.000	0.000	0.000	0.000
92	A	309	GLN	0	-0.025	-0.012	32.289	0.007	0.007	0.000	0.000	0.000	0.000
93	A	310	ASP	-1	-0.938	-0.954	34.693	-0.059	-0.059	0.000	0.000	0.000	0.000
94	A	311	GLN	0	-0.019	-0.004	31.967	0.004	0.004	0.000	0.000	0.000	0.000
95	A	312	ASP	-1	-0.790	-0.862	35.454	-0.091	-0.091	0.000	0.000	0.000	0.000
96	A	313	ALA	0	0.018	-0.020	35.426	-0.005	-0.005	0.000	0.000	0.000	0.000
97	A	314	GLY	0	0.046	0.031	35.283	-0.004	-0.004	0.000	0.000	0.000	0.000
98	A	315	THR	0	-0.081	-0.091	31.141	-0.010	-0.010	0.000	0.000	0.000	0.000
99	A	316	ILE	0	-0.020	-0.005	30.782	-0.011	-0.011	0.000	0.000	0.000	0.000
100	A	317	GLU	-1	-0.802	-0.900	30.462	-0.114	-0.114	0.000	0.000	0.000	0.000
101	A	318	ARG	1	0.907	0.967	29.705	0.118	0.118	0.000	0.000	0.000	0.000
102	A	319	CYS	0	-0.070	-0.024	26.084	-0.017	-0.017	0.000	0.000	0.000	0.000
103	A	320	LEU	0	-0.006	-0.023	26.111	-0.012	-0.012	0.000	0.000	0.000	0.000
104	A	321	GLU	-1	-0.791	-0.870	27.857	-0.132	-0.132	0.000	0.000	0.000	0.000
105	A	322	GLN	0	-0.089	-0.045	22.413	0.005	0.005	0.000	0.000	0.000	0.000
106	A	323	MET	0	-0.053	-0.022	22.371	-0.016	-0.016	0.000	0.000	0.000	0.000
107	A	324	SER	0	-0.009	-0.025	23.079	-0.012	-0.012	0.000	0.000	0.000	0.000
108	A	325	GLN	0	-0.047	-0.022	24.960	-0.007	-0.007	0.000	0.000	0.000	0.000
109	A	326	GLU	-1	-0.871	-0.906	19.245	-0.316	-0.316	0.000	0.000	0.000	0.000
110	A	327	GLY	0	-0.018	0.002	19.881	-0.018	-0.018	0.000	0.000	0.000	0.000
111	A	328	LEU	0	-0.077	-0.028	17.327	0.012	0.012	0.000	0.000	0.000	0.000
112	A	329	LYS	1	0.956	0.968	21.440	0.171	0.171	0.000	0.000	0.000	0.000
113	A	330	LEU	0	0.084	0.026	23.364	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	331	GLN	0	0.031	-0.001	25.771	0.003	0.003	0.000	0.000	0.000	0.000
115	A	332	ALA	0	-0.013	0.002	20.911	0.007	0.007	0.000	0.000	0.000	0.000
116	A	333	LEU	0	0.003	0.014	20.961	-0.004	-0.004	0.000	0.000	0.000	0.000
117	A	334	PHE	0	0.003	-0.022	21.782	0.001	0.001	0.000	0.000	0.000	0.000
118	A	335	THR	0	-0.036	-0.005	22.575	0.007	0.007	0.000	0.000	0.000	0.000
119	A	336	ALA	0	0.002	0.006	17.167	0.011	0.011	0.000	0.000	0.000	0.000
120	A	337	VAL	0	-0.033	-0.007	17.443	-0.014	-0.014	0.000	0.000	0.000	0.000
121	A	338	LEU	0	-0.023	-0.001	16.476	0.020	0.020	0.000	0.000	0.000	0.000
122	A	339	LEU	0	-0.003	-0.001	20.064	-0.011	-0.011	0.000	0.000	0.000	0.000
123	A	340	SER	0	0.021	-0.016	23.285	0.015	0.015	0.000	0.000	0.000	0.000
124	A	341	GLU	-1	-0.908	-0.969	26.422	-0.023	-0.023	0.000	0.000	0.000	0.000
125	A	342	GLU	-1	-0.814	-0.885	29.642	-0.047	-0.047	0.000	0.000	0.000	0.000
126	A	343	ASP	-1	-0.800	-0.839	24.947	-0.081	-0.081	0.000	0.000	0.000	0.000
127	A	344	ARG	1	0.877	0.924	26.012	0.027	0.027	0.000	0.000	0.000	0.000
128	A	345	ALA	0	0.038	0.022	28.173	-0.005	-0.005	0.000	0.000	0.000	0.000
129	A	346	THR	0	-0.010	-0.023	29.768	-0.004	-0.004	0.000	0.000	0.000	0.000
130	A	347	VAL	0	-0.016	-0.001	25.665	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	348	LEU	0	-0.015	-0.008	29.033	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	349	LYS	1	0.892	0.965	31.781	0.061	0.061	0.000	0.000	0.000	0.000
133	A	350	ALA	0	0.012	0.010	30.772	0.001	0.001	0.000	0.000	0.000	0.000
134	A	351	VAL	0	0.015	-0.001	29.520	-0.002	-0.002	0.000	0.000	0.000	0.000
135	A	352	HIS	0	-0.037	-0.021	32.559	0.001	0.001	0.000	0.000	0.000	0.000
136	A	353	LYS	1	0.892	0.953	35.642	0.071	0.071	0.000	0.000	0.000	0.000
137	A	354	VAL	0	-0.020	-0.006	33.833	0.002	0.002	0.000	0.000	0.000	0.000
138	A	355	LYS	1	0.792	0.873	32.605	0.106	0.106	0.000	0.000	0.000	0.000
139	A	356	PRO	0	0.054	0.028	35.954	0.001	0.001	0.000	0.000	0.000	0.000
140	A	357	THR	0	-0.020	-0.006	38.656	0.002	0.002	0.000	0.000	0.000	0.000
141	A	358	PHE	0	0.002	0.009	28.884	-0.003	-0.003	0.000	0.000	0.000	0.000
142	A	359	SER	0	0.020	0.007	34.823	0.004	0.004	0.000	0.000	0.000	0.000
143	A	360	LEU	0	-0.041	-0.008	31.144	-0.005	-0.005	0.000	0.000	0.000	0.000
144	A	361	PRO	0	0.014	-0.011	28.947	0.003	0.003	0.000	0.000	0.000	0.000
145	A	362	PRO	0	0.021	0.026	32.281	0.003	0.003	0.000	0.000	0.000	0.000
146	A	363	GLN	0	-0.033	-0.034	31.324	0.006	0.006	0.000	0.000	0.000	0.000
147	A	364	LEU	0	0.027	0.017	31.894	-0.002	-0.002	0.000	0.000	0.000	0.000
148	A	365	PRO	0	0.007	0.015	34.771	0.003	0.003	0.000	0.000	0.000	0.000
149	A	366	PRO	0	0.045	0.027	34.644	0.000	0.000	0.000	0.000	0.000	0.000
150	A	367	PRO	0	-0.016	-0.002	32.195	0.001	0.001	0.000	0.000	0.000	0.000
151	A	368	VAL	0	0.025	-0.003	35.254	0.005	0.005	0.000	0.000	0.000	0.000
152	A	369	ASN	0	-0.016	-0.025	33.634	-0.004	-0.004	0.000	0.000	0.000	0.000
153	A	370	THR	0	0.039	0.019	36.184	0.001	0.001	0.000	0.000	0.000	0.000
154	A	371	SER	0	0.027	0.013	35.526	-0.003	-0.003	0.000	0.000	0.000	0.000
155	A	372	LYS	1	0.847	0.899	37.392	-0.035	-0.035	0.000	0.000	0.000	0.000
156	A	373	LEU	0	-0.016	-0.002	38.801	-0.002	-0.002	0.000	0.000	0.000	0.000
157	A	374	LEU	0	0.021	-0.003	35.703	0.001	0.001	0.000	0.000	0.000	0.000
158	A	375	ARG	1	0.929	0.980	39.936	-0.026	-0.026	0.000	0.000	0.000	0.000
159	A	376	ASP	-1	-0.761	-0.846	41.735	0.033	0.033	0.000	0.000	0.000	0.000
160	A	377	VAL	0	-0.043	-0.013	41.065	0.000	0.000	0.000	0.000	0.000	0.000
161	A	378	TYR	0	-0.062	-0.072	37.444	0.000	0.000	0.000	0.000	0.000	0.000
162	A	379	ALA	0	-0.048	-0.007	42.074	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	380	LYS	1	1.005	0.993	42.356	-0.013	-0.013	0.000	0.000	0.000	0.000
164	A	381	ASP	-1	-0.903	-0.936	47.378	0.013	0.013	0.000	0.000	0.000	0.000
165	A	382	GLY	0	-0.018	-0.025	49.598	0.002	0.002	0.000	0.000	0.000	0.000
166	A	383	ARG	1	0.925	0.966	51.653	-0.017	-0.017	0.000	0.000	0.000	0.000
167	A	384	VAL	0	-0.034	-0.004	48.064	0.002	0.002	0.000	0.000	0.000	0.000
168	A	385	SER	0	0.004	-0.008	51.355	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	386	TYR	0	0.004	-0.005	45.205	0.002	0.002	0.000	0.000	0.000	0.000
170	A	387	PRO	0	-0.026	0.012	48.259	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	388	LYS	1	0.833	0.919	49.387	-0.025	-0.025	0.000	0.000	0.000	0.000
172	A	389	LEU	0	-0.011	-0.005	47.575	0.001	0.001	0.000	0.000	0.000	0.000
173	A	390	HIS	0	0.051	0.011	51.797	-0.002	-0.002	0.000	0.000	0.000	0.000
174	A	391	LEU	0	-0.059	-0.028	50.975	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	392	PRO	0	0.050	0.035	53.362	0.000	0.000	0.000	0.000	0.000	0.000
176	A	393	LEU	0	0.037	-0.008	49.642	0.002	0.002	0.000	0.000	0.000	0.000
177	A	394	LYS	1	0.983	0.974	51.364	-0.019	-0.019	0.000	0.000	0.000	0.000
178	A	395	THR	0	0.008	0.012	52.826	0.000	0.000	0.000	0.000	0.000	0.000
179	A	396	LEU	0	0.037	0.012	48.137	0.002	0.002	0.000	0.000	0.000	0.000
180	A	397	GLN	0	0.009	0.009	47.772	0.001	0.001	0.000	0.000	0.000	0.000
181	A	398	CYS	0	-0.041	-0.016	47.887	0.001	0.001	0.000	0.000	0.000	0.000
182	A	399	LEU	0	-0.051	-0.018	47.693	0.001	0.001	0.000	0.000	0.000	0.000
183	A	400	PHE	0	0.048	0.013	40.431	0.003	0.003	0.000	0.000	0.000	0.000
184	A	401	GLU	-1	-0.754	-0.856	43.813	0.033	0.033	0.000	0.000	0.000	0.000
185	A	402	LYS	1	0.909	0.953	45.208	-0.037	-0.037	0.000	0.000	0.000	0.000
186	A	403	GLN	0	0.008	0.010	39.116	0.001	0.001	0.000	0.000	0.000	0.000
187	A	404	LEU	0	0.030	0.010	39.145	0.004	0.004	0.000	0.000	0.000	0.000
188	A	405	HIS	0	-0.035	-0.017	40.697	0.003	0.003	0.000	0.000	0.000	0.000
189	A	406	MET	0	0.002	0.005	41.449	0.003	0.003	0.000	0.000	0.000	0.000
190	A	407	GLU	-1	-0.698	-0.853	35.640	0.077	0.077	0.000	0.000	0.000	0.000
191	A	408	LEU	0	-0.033	-0.008	37.126	0.003	0.003	0.000	0.000	0.000	0.000
192	A	409	ALA	0	-0.015	0.009	38.287	0.001	0.001	0.000	0.000	0.000	0.000
193	A	410	SER	0	-0.030	-0.015	35.700	0.004	0.004	0.000	0.000	0.000	0.000
194	A	411	ARG	1	0.783	0.879	37.620	-0.071	-0.071	0.000	0.000	0.000	0.000
195	A	412	VAL	0	0.009	0.014	40.600	-0.005	-0.005	0.000	0.000	0.000	0.000
196	A	413	CYS	0	-0.055	-0.025	43.644	0.003	0.003	0.000	0.000	0.000	0.000
197	A	414	VAL	0	0.024	0.018	46.432	-0.003	-0.003	0.000	0.000	0.000	0.000
198	A	415	VAL	0	0.021	0.005	48.832	0.001	0.001	0.000	0.000	0.000	0.000
199	A	416	SER	0	-0.026	-0.016	51.110	0.001	0.001	0.000	0.000	0.000	0.000
200	A	417	VAL	0	0.024	0.011	52.039	-0.002	-0.002	0.000	0.000	0.000	0.000
201	A	418	GLU	-1	-0.818	-0.889	53.153	0.064	0.064	0.000	0.000	0.000	0.000
202	A	419	LYS	1	0.831	0.952	53.528	-0.063	-0.063	0.000	0.000	0.000	0.000
203	A	420	PRO	0	0.036	0.021	58.453	0.000	0.000	0.000	0.000	0.000	0.000
204	A	421	THR	0	0.022	-0.015	60.296	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	422	LEU	0	0.036	0.012	58.206	0.001	0.001	0.000	0.000	0.000	0.000
206	A	423	PRO	0	0.031	0.034	62.230	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	424	SER	0	0.054	0.006	63.176	0.001	0.001	0.000	0.000	0.000	0.000
208	A	425	LYS	1	0.960	0.962	63.521	-0.037	-0.037	0.000	0.000	0.000	0.000
209	A	426	GLU	-1	-0.824	-0.876	59.984	0.053	0.053	0.000	0.000	0.000	0.000
210	A	427	VAL	0	0.043	0.025	58.333	0.001	0.001	0.000	0.000	0.000	0.000
211	A	428	LYS	1	0.917	0.949	58.711	-0.037	-0.037	0.000	0.000	0.000	0.000
212	A	429	HIS	0	-0.033	-0.017	59.729	0.000	0.000	0.000	0.000	0.000	0.000
213	A	430	ALA	0	0.045	0.035	55.908	0.001	0.001	0.000	0.000	0.000	0.000
214	A	431	ARG	1	0.872	0.911	54.919	-0.050	-0.050	0.000	0.000	0.000	0.000
215	A	432	LYS	1	0.963	0.986	54.927	-0.039	-0.039	0.000	0.000	0.000	0.000
216	A	433	THR	0	-0.009	0.002	53.720	0.000	0.000	0.000	0.000	0.000	0.000
217	A	434	LEU	0	0.025	0.012	48.656	0.001	0.001	0.000	0.000	0.000	0.000
218	A	435	LYS	1	0.812	0.892	50.575	-0.045	-0.045	0.000	0.000	0.000	0.000
219	A	436	THR	0	-0.005	-0.014	51.352	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	437	LEU	0	-0.011	-0.006	48.788	0.000	0.000	0.000	0.000	0.000	0.000
221	A	438	ARG	1	0.853	0.891	46.491	-0.067	-0.067	0.000	0.000	0.000	0.000
222	A	439	ASP	-1	-0.813	-0.874	46.641	0.049	0.049	0.000	0.000	0.000	0.000
223	A	440	GLN	0	-0.067	-0.041	47.711	0.001	0.001	0.000	0.000	0.000	0.000
224	A	441	TRP	0	-0.003	-0.025	43.123	0.002	0.002	0.000	0.000	0.000	0.000
225	A	442	GLU	-1	-0.780	-0.852	42.623	0.056	0.056	0.000	0.000	0.000	0.000
226	A	443	LYS	1	0.985	0.993	42.556	-0.045	-0.045	0.000	0.000	0.000	0.000
227	A	444	ALA	0	-0.026	-0.006	42.393	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	445	LEU	0	0.026	0.009	37.378	0.002	0.002	0.000	0.000	0.000	0.000
229	A	446	CYS	0	-0.063	-0.021	38.033	0.001	0.001	0.000	0.000	0.000	0.000
230	A	447	ARG	1	0.925	0.972	38.740	-0.061	-0.061	0.000	0.000	0.000	0.000
231	A	448	ALA	0	0.068	0.037	36.428	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	449	LEU	0	0.005	0.002	32.272	0.004	0.004	0.000	0.000	0.000	0.000
233	A	450	ARG	1	0.910	0.929	33.784	-0.039	-0.039	0.000	0.000	0.000	0.000
234	A	451	GLU	-1	-0.893	-0.953	34.824	0.061	0.061	0.000	0.000	0.000	0.000
235	A	452	THR	0	-0.061	-0.039	29.822	0.004	0.004	0.000	0.000	0.000	0.000
236	A	453	LYS	1	0.851	0.899	30.232	-0.051	-0.051	0.000	0.000	0.000	0.000
237	A	454	ASN	0	-0.004	0.005	30.444	-0.008	-0.008	0.000	0.000	0.000	0.000
238	A	455	ARG	1	0.910	0.964	27.838	-0.113	-0.113	0.000	0.000	0.000	0.000
239	A	456	LEU	0	-0.038	-0.018	25.327	0.001	0.001	0.000	0.000	0.000	0.000
240	A	457	GLU	-1	-0.930	-0.946	26.182	0.009	0.009	0.000	0.000	0.000	0.000
241	A	458	ARG	1	1.036	1.003	27.713	-0.047	-0.047	0.000	0.000	0.000	0.000
242	A	459	GLU	-1	-0.936	-0.981	23.941	0.107	0.107	0.000	0.000	0.000	0.000
243	A	460	VAL	0	-0.051	-0.026	22.555	-0.005	-0.005	0.000	0.000	0.000	0.000
244	A	461	TYR	0	0.015	0.024	24.333	-0.019	-0.019	0.000	0.000	0.000	0.000
245	A	462	GLU	-1	-0.841	-0.886	25.065	-0.003	-0.003	0.000	0.000	0.000	0.000
246	A	463	GLY	0	-0.012	-0.037	21.403	-0.005	-0.005	0.000	0.000	0.000	0.000
247	A	464	ARG	1	0.801	0.892	15.911	-0.150	-0.150	0.000	0.000	0.000	0.000
248	A	465	PHE	0	0.030	0.012	17.220	0.002	0.002	0.000	0.000	0.000	0.000
249	A	466	SER	0	0.007	-0.018	19.229	0.023	0.023	0.000	0.000	0.000	0.000
250	A	467	LEU	0	0.023	-0.005	20.528	-0.013	-0.013	0.000	0.000	0.000	0.000
251	A	468	TYR	0	0.068	0.032	23.055	0.000	0.000	0.000	0.000	0.000	0.000
252	A	469	PRO	0	0.039	0.025	21.988	0.002	0.002	0.000	0.000	0.000	0.000
253	A	470	PHE	0	0.023	-0.014	18.329	0.004	0.004	0.000	0.000	0.000	0.000
254	A	471	LEU	0	-0.016	-0.010	24.491	0.003	0.003	0.000	0.000	0.000	0.000
255	A	472	CYS	0	-0.137	-0.052	27.452	-0.004	-0.004	0.000	0.000	0.000	0.000
256	A	473	LEU	0	0.012	0.020	23.527	-0.007	-0.007	0.000	0.000	0.000	0.000
257	A	474	LEU	0	-0.069	-0.024	28.181	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	475	ASP	-1	-0.770	-0.896	31.391	0.049	0.049	0.000	0.000	0.000	0.000
259	A	476	GLU	-1	-0.776	-0.870	34.811	0.053	0.053	0.000	0.000	0.000	0.000
260	A	477	ARG	1	0.855	0.898	36.180	-0.045	-0.045	0.000	0.000	0.000	0.000
261	A	478	GLU	-1	-0.833	-0.902	35.122	0.075	0.075	0.000	0.000	0.000	0.000
262	A	479	VAL	0	0.015	0.021	32.102	0.007	0.007	0.000	0.000	0.000	0.000
263	A	480	VAL	0	0.011	-0.003	34.802	0.007	0.007	0.000	0.000	0.000	0.000
264	A	481	ARG	1	0.855	0.920	38.084	-0.055	-0.055	0.000	0.000	0.000	0.000
265	A	482	MET	0	-0.033	-0.005	31.307	0.003	0.003	0.000	0.000	0.000	0.000
266	A	483	LEU	0	-0.003	-0.005	33.081	0.006	0.006	0.000	0.000	0.000	0.000
267	A	484	LEU	0	0.003	-0.011	36.708	0.002	0.002	0.000	0.000	0.000	0.000
268	A	485	GLN	0	-0.040	-0.028	37.971	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	486	VAL	0	0.011	-0.006	34.374	0.001	0.001	0.000	0.000	0.000	0.000
270	A	487	LEU	0	-0.017	-0.005	37.692	0.003	0.003	0.000	0.000	0.000	0.000
271	A	488	GLN	0	-0.098	-0.048	40.203	0.002	0.002	0.000	0.000	0.000	0.000
272	A	489	ALA	0	0.018	0.009	39.816	-0.002	-0.002	0.000	0.000	0.000	0.000
273	A	490	LEU	0	-0.024	0.013	36.566	0.005	0.005	0.000	0.000	0.000	0.000
274	A	491	PRO	0	0.005	0.009	38.200	-0.006	-0.006	0.000	0.000	0.000	0.000
275	A	492	ALA	0	0.071	0.028	41.085	0.004	0.004	0.000	0.000	0.000	0.000
276	A	493	GLN	0	-0.027	-0.022	40.169	-0.006	-0.006	0.000	0.000	0.000	0.000
277	A	494	GLY	0	-0.014	-0.005	38.842	0.004	0.004	0.000	0.000	0.000	0.000
278	A	495	GLU	-1	-0.873	-0.950	32.930	0.172	0.172	0.000	0.000	0.000	0.000
279	A	496	SER	0	-0.053	-0.013	30.102	0.010	0.010	0.000	0.000	0.000	0.000
280	A	497	PHE	0	0.090	0.030	27.905	0.006	0.006	0.000	0.000	0.000	0.000
281	A	498	THR	0	-0.013	-0.013	24.499	0.001	0.001	0.000	0.000	0.000	0.000
282	A	499	THR	0	-0.032	-0.022	26.695	0.021	0.021	0.000	0.000	0.000	0.000
283	A	500	LEU	0	0.113	0.078	28.937	0.001	0.001	0.000	0.000	0.000	0.000
284	A	501	ALA	0	-0.032	-0.009	25.736	-0.006	-0.006	0.000	0.000	0.000	0.000
285	A	502	ARG	1	0.912	0.931	23.322	-0.319	-0.319	0.000	0.000	0.000	0.000
286	A	503	GLU	-1	-0.784	-0.851	25.838	0.160	0.160	0.000	0.000	0.000	0.000
287	A	504	LEU	0	0.020	0.002	29.067	-0.011	-0.011	0.000	0.000	0.000	0.000
288	A	505	SER	0	-0.036	-0.017	23.372	-0.019	-0.019	0.000	0.000	0.000	0.000
289	A	506	ALA	0	-0.003	0.000	26.128	-0.011	-0.011	0.000	0.000	0.000	0.000
290	A	507	ARG	1	0.814	0.884	27.085	-0.145	-0.145	0.000	0.000	0.000	0.000
291	A	508	THR	0	-0.001	-0.018	27.281	-0.015	-0.015	0.000	0.000	0.000	0.000
292	A	509	PHE	0	-0.012	-0.007	22.602	-0.009	-0.009	0.000	0.000	0.000	0.000
293	A	510	SER	0	0.001	0.005	26.442	-0.015	-0.015	0.000	0.000	0.000	0.000
294	A	511	ARG	1	0.843	0.884	29.244	-0.108	-0.108	0.000	0.000	0.000	0.000
295	A	512	HIS	0	-0.058	-0.044	24.413	-0.012	-0.012	0.000	0.000	0.000	0.000
296	A	513	VAL	0	0.027	0.024	26.255	-0.011	-0.011	0.000	0.000	0.000	0.000
297	A	514	VAL	0	0.005	0.008	28.805	-0.010	-0.010	0.000	0.000	0.000	0.000
298	A	515	GLN	0	0.013	0.001	31.850	-0.004	-0.004	0.000	0.000	0.000	0.000
299	A	516	ARG	1	0.951	0.956	24.252	-0.027	-0.027	0.000	0.000	0.000	0.000
300	A	517	GLN	0	-0.020	0.013	30.518	-0.010	-0.010	0.000	0.000	0.000	0.000
301	A	518	ARG	1	0.880	0.925	32.992	-0.051	-0.051	0.000	0.000	0.000	0.000
302	A	519	VAL	0	-0.046	-0.020	33.253	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	520	SER	0	-0.011	-0.021	32.324	-0.004	-0.004	0.000	0.000	0.000	0.000
304	A	521	GLY	0	0.034	0.026	34.364	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	522	GLN	0	-0.009	-0.018	29.752	0.003	0.003	0.000	0.000	0.000	0.000
306	A	523	VAL	0	0.013	0.021	35.197	0.003	0.003	0.000	0.000	0.000	0.000
307	A	524	GLN	0	0.065	0.025	37.789	0.001	0.001	0.000	0.000	0.000	0.000
308	A	525	ALA	0	0.000	0.021	36.648	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	526	LEU	0	0.022	0.011	35.802	0.000	0.000	0.000	0.000	0.000	0.000
310	A	527	GLN	0	-0.058	-0.062	38.367	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	528	ASN	0	-0.045	-0.033	41.936	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	529	HIS	0	-0.049	-0.010	36.653	-0.002	-0.002	0.000	0.000	0.000	0.000
313	A	530	TYR	0	0.015	-0.046	39.899	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	531	ARG	1	0.809	0.886	41.948	-0.025	-0.025	0.000	0.000	0.000	0.000
315	A	532	LYS	1	0.937	0.988	42.284	-0.013	-0.013	0.000	0.000	0.000	0.000
316	A	533	TYR	0	0.049	0.009	41.439	0.000	0.000	0.000	0.000	0.000	0.000
317	A	534	LEU	0	0.009	-0.008	43.871	0.001	0.001	0.000	0.000	0.000	0.000
318	A	535	CYS	0	-0.044	-0.005	46.598	0.001	0.001	0.000	0.000	0.000	0.000
319	A	536	LEU	0	0.048	0.038	44.133	0.000	0.000	0.000	0.000	0.000	0.000
320	A	537	LEU	0	-0.037	-0.014	44.235	0.001	0.001	0.000	0.000	0.000	0.000
321	A	538	ALA	0	-0.009	-0.002	48.369	0.001	0.001	0.000	0.000	0.000	0.000
322	A	539	SER	0	-0.006	0.009	51.550	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	540	ASP	-1	-0.840	-0.904	55.067	0.023	0.023	0.000	0.000	0.000	0.000
324	A	541	ALA	0	-0.009	-0.008	52.212	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	542	GLU	-1	-0.920	-0.956	53.046	0.017	0.017	0.000	0.000	0.000	0.000
326	A	543	VAL	0	-0.047	-0.022	47.538	0.000	0.000	0.000	0.000	0.000	0.000
327	A	544	PRO	0	-0.009	-0.009	48.234	0.000	0.000	0.000	0.000	0.000	0.000
328	A	545	GLU	-1	-0.901	-0.941	47.714	0.009	0.009	0.000	0.000	0.000	0.000
329	A	546	PRO	0	-0.037	-0.024	48.108	0.002	0.002	0.000	0.000	0.000	0.000
330	A	547	CYS	0	-0.058	-0.028	43.234	0.000	0.000	0.000	0.000	0.000	0.000
331	A	548	LEU	0	-0.005	-0.006	40.483	0.002	0.002	0.000	0.000	0.000	0.000
332	A	549	PRO	0	0.037	-0.007	40.464	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	550	ARG	1	0.764	0.854	33.622	-0.044	-0.044	0.000	0.000	0.000	0.000
334	A	551	GLN	0	0.015	0.012	37.420	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	552	TYR	0	0.113	0.058	39.361	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	553	TRP	0	-0.036	-0.021	34.742	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	554	GLU	-1	-0.798	-0.901	33.750	0.034	0.034	0.000	0.000	0.000	0.000
338	A	555	GLU	-1	-0.911	-0.940	36.725	0.014	0.014	0.000	0.000	0.000	0.000
339	A	556	LEU	0	-0.080	-0.024	39.919	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	557	GLY	0	-0.035	0.008	37.082	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	558	ALA	0	0.073	0.019	34.151	-0.002	-0.002	0.000	0.000	0.000	0.000
342	A	559	PRO	0	-0.057	-0.032	32.258	0.000	0.000	0.000	0.000	0.000	0.000
343	A	560	GLU	-1	-0.858	-0.915	28.911	0.032	0.032	0.000	0.000	0.000	0.000
344	A	561	ALA	0	-0.048	-0.012	28.488	0.005	0.005	0.000	0.000	0.000	0.000
345	A	562	LEU	0	0.004	-0.011	23.270	-0.010	-0.010	0.000	0.000	0.000	0.000
346	A	563	ARG	1	0.855	0.944	17.622	-0.094	-0.094	0.000	0.000	0.000	0.000
347	A	564	GLU	-1	-0.828	-0.892	21.170	0.046	0.046	0.000	0.000	0.000	0.000
348	A	565	GLN	0	0.002	0.013	15.611	0.034	0.034	0.000	0.000	0.000	0.000
349	A	566	PRO	0	0.022	0.015	17.716	-0.006	-0.006	0.000	0.000	0.000	0.000
350	A	567	TRP	0	0.042	0.016	16.749	0.017	0.017	0.000	0.000	0.000	0.000
351	A	568	PRO	0	0.038	0.027	13.018	0.053	0.053	0.000	0.000	0.000	0.000
352	A	569	LEU	0	0.067	0.022	15.028	-0.024	-0.024	0.000	0.000	0.000	0.000
353	A	570	PRO	0	-0.039	-0.023	13.402	-0.045	-0.045	0.000	0.000	0.000	0.000
354	A	571	VAL	0	0.053	0.034	16.044	-0.041	-0.041	0.000	0.000	0.000	0.000
355	A	572	GLN	0	-0.041	-0.021	18.477	-0.032	-0.032	0.000	0.000	0.000	0.000
356	A	573	MET	0	-0.033	-0.013	19.998	-0.032	-0.032	0.000	0.000	0.000	0.000
357	A	574	GLU	-1	-0.851	-0.911	17.833	0.369	0.369	0.000	0.000	0.000	0.000
358	A	575	LEU	0	0.041	0.021	22.224	-0.025	-0.025	0.000	0.000	0.000	0.000
359	A	576	GLY	0	0.032	0.020	24.416	-0.019	-0.019	0.000	0.000	0.000	0.000
360	A	577	LYS	1	0.924	0.945	22.429	-0.366	-0.366	0.000	0.000	0.000	0.000
361	A	578	LEU	0	-0.022	0.012	25.973	-0.013	-0.013	0.000	0.000	0.000	0.000
362	A	579	LEU	0	0.023	0.007	27.831	-0.014	-0.014	0.000	0.000	0.000	0.000
363	A	580	ALA	0	0.004	0.010	29.987	-0.010	-0.010	0.000	0.000	0.000	0.000
364	A	581	GLU	-1	-0.857	-0.933	30.305	0.159	0.159	0.000	0.000	0.000	0.000
365	A	582	MET	0	-0.019	0.011	31.962	-0.011	-0.011	0.000	0.000	0.000	0.000
366	A	583	LEU	0	0.008	0.001	33.743	-0.010	-0.010	0.000	0.000	0.000	0.000
367	A	584	VAL	0	-0.042	-0.013	34.927	-0.008	-0.008	0.000	0.000	0.000	0.000
368	A	585	GLN	0	-0.032	-0.018	32.650	-0.012	-0.012	0.000	0.000	0.000	0.000
369	A	586	ALA	0	-0.004	0.017	37.462	-0.007	-0.007	0.000	0.000	0.000	0.000
370	A	587	THR	0	-0.045	-0.032	39.687	-0.007	-0.007	0.000	0.000	0.000	0.000
371	A	588	GLN	0	-0.031	-0.013	42.049	0.001	0.001	0.000	0.000	0.000	0.000
372	A	589	MET	0	0.025	0.016	45.022	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	590	PRO	0	0.043	0.025	48.370	0.002	0.002	0.000	0.000	0.000	0.000
374	A	591	CYS	0	-0.024	-0.006	50.215	0.000	0.000	0.000	0.000	0.000	0.000
375	A	592	SER	0	-0.056	-0.035	51.884	-0.001	-0.001	0.000	0.000	0.000	0.000
376	A	593	LEU	0	0.009	0.008	54.494	-0.002	-0.002	0.000	0.000	0.000	0.000
377	A	594	ASP	-1	-0.817	-0.889	55.837	0.046	0.046	0.000	0.000	0.000	0.000
378	A	595	LYS	1	0.915	0.950	58.318	-0.051	-0.051	0.000	0.000	0.000	0.000
379	A	596	PRO	0	0.053	0.020	61.397	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	597	HIS	0	-0.046	-0.028	61.813	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	598	ARG	1	0.980	0.989	60.056	-0.042	-0.042	0.000	0.000	0.000	0.000
382	A	599	SER	0	-0.041	0.004	55.588	0.000	0.000	0.000	0.000	0.000	0.000
383	A	600	SER	0	0.007	-0.013	55.046	0.001	0.001	0.000	0.000	0.000	0.000
384	A	601	ARG	1	0.975	0.995	49.747	-0.069	-0.069	0.000	0.000	0.000	0.000
385	A	602	LEU	0	0.030	0.023	47.765	0.001	0.001	0.000	0.000	0.000	0.000
386	A	603	VAL	0	-0.043	-0.037	46.186	0.001	0.001	0.000	0.000	0.000	0.000
387	A	604	PRO	0	0.068	0.033	41.037	-0.003	-0.003	0.000	0.000	0.000	0.000
388	A	605	VAL	0	-0.012	0.000	42.586	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	606	LEU	0	-0.002	0.004	37.658	0.002	0.002	0.000	0.000	0.000	0.000
390	A	607	TYR	0	-0.012	-0.012	38.700	-0.002	-0.002	0.000	0.000	0.000	0.000
391	A	608	HIS	0	-0.031	-0.022	31.980	0.008	0.008	0.000	0.000	0.000	0.000
392	A	609	VAL	0	-0.028	-0.010	36.328	-0.007	-0.007	0.000	0.000	0.000	0.000
393	A	610	TYR	0	0.030	0.010	30.579	0.017	0.017	0.000	0.000	0.000	0.000
394	A	611	SER	0	-0.017	0.007	34.599	-0.011	-0.011	0.000	0.000	0.000	0.000
395	A	612	PHE	0	0.068	0.003	34.198	0.014	0.014	0.000	0.000	0.000	0.000
396	A	613	ARG	1	0.964	0.982	35.664	-0.159	-0.159	0.000	0.000	0.000	0.000
397	A	614	ASN	0	-0.088	-0.051	29.144	-0.009	-0.009	0.000	0.000	0.000	0.000
398	A	615	VAL	0	0.020	0.033	31.583	0.011	0.011	0.000	0.000	0.000	0.000
399	A	616	GLN	0	0.027	0.015	24.813	-0.012	-0.012	0.000	0.000	0.000	0.000
400	A	617	GLN	0	0.011	0.007	28.203	-0.012	-0.012	0.000	0.000	0.000	0.000
401	A	618	ILE	0	-0.034	-0.005	28.729	0.017	0.017	0.000	0.000	0.000	0.000
402	A	619	GLY	0	0.047	0.017	29.926	-0.017	-0.017	0.000	0.000	0.000	0.000
403	A	620	ILE	0	-0.086	-0.053	31.625	0.009	0.009	0.000	0.000	0.000	0.000
404	A	621	LEU	0	0.057	0.036	34.146	-0.005	-0.005	0.000	0.000	0.000	0.000
405	A	622	LYS	1	0.902	0.939	35.928	-0.115	-0.115	0.000	0.000	0.000	0.000
406	A	623	PRO	0	0.047	0.031	39.672	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	624	HIS	0	0.051	0.021	42.497	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	625	PRO	0	0.021	-0.010	45.536	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	626	ALA	0	0.006	0.005	48.411	-0.003	-0.003	0.000	0.000	0.000	0.000
410	A	627	TYR	0	-0.005	-0.021	43.665	-0.005	-0.005	0.000	0.000	0.000	0.000
411	A	628	VAL	0	0.003	0.002	45.991	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	629	GLN	0	0.051	0.030	48.517	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	630	LEU	0	-0.041	-0.009	50.492	-0.003	-0.003	0.000	0.000	0.000	0.000
414	A	631	LEU	0	0.014	-0.008	46.513	-0.004	-0.004	0.000	0.000	0.000	0.000
415	A	632	GLU	-1	-0.939	-0.959	50.733	0.076	0.076	0.000	0.000	0.000	0.000
416	A	633	LYS	1	0.835	0.901	52.921	-0.058	-0.058	0.000	0.000	0.000	0.000
417	A	634	ALA	0	-0.026	-0.015	52.858	-0.003	-0.003	0.000	0.000	0.000	0.000
418	A	635	ALA	0	0.047	0.026	54.187	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	636	GLU	-1	-0.782	-0.856	48.629	0.067	0.067	0.000	0.000	0.000	0.000
420	A	637	PRO	0	-0.036	-0.022	52.255	0.002	0.002	0.000	0.000	0.000	0.000
421	A	638	THR	0	0.011	0.017	49.077	-0.002	-0.002	0.000	0.000	0.000	0.000
422	A	639	LEU	0	-0.025	-0.009	45.962	0.002	0.002	0.000	0.000	0.000	0.000
423	A	640	THR	0	0.016	-0.002	41.586	-0.004	-0.004	0.000	0.000	0.000	0.000
424	A	641	PHE	0	-0.004	0.005	40.425	0.004	0.004	0.000	0.000	0.000	0.000
425	A	642	GLU	-1	-0.696	-0.816	34.657	0.103	0.103	0.000	0.000	0.000	0.000
426	A	643	ALA	0	-0.003	-0.011	37.182	0.000	0.000	0.000	0.000	0.000	0.000
427	A	644	VAL	0	0.016	0.005	32.739	-0.003	-0.003	0.000	0.000	0.000	0.000
428	A	645	ASP	-1	-0.890	-0.941	35.921	0.127	0.127	0.000	0.000	0.000	0.000
429	A	646	VAL	0	-0.045	-0.027	37.714	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	647	PRO	0	-0.031	-0.025	40.157	0.001	0.001	0.000	0.000	0.000	0.000
431	A	648	MET	0	-0.027	0.031	38.509	0.000	0.000	0.000	0.000	0.000	0.000
432	A	649	LEU	0	0.002	-0.020	42.158	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	650	CYS	0	-0.044	-0.013	42.175	-0.003	-0.003	0.000	0.000	0.000	0.000
434	A	651	PRO	0	0.019	0.029	42.878	0.004	0.004	0.000	0.000	0.000	0.000
435	A	652	PRO	0	0.007	0.005	37.987	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	653	LEU	0	-0.005	0.014	34.147	-0.005	-0.005	0.000	0.000	0.000	0.000
437	A	654	PRO	0	-0.039	-0.023	36.018	0.006	0.006	0.000	0.000	0.000	0.000
438	A	655	TRP	0	-0.057	-0.030	28.693	0.004	0.004	0.000	0.000	0.000	0.000
439	A	656	THR	0	0.000	-0.009	31.219	0.000	0.000	0.000	0.000	0.000	0.000
440	A	657	SER	0	0.030	0.012	26.357	0.000	0.000	0.000	0.000	0.000	0.000
441	A	658	PRO	0	-0.041	-0.045	23.763	0.005	0.005	0.000	0.000	0.000	0.000
442	A	659	HIS	0	-0.086	-0.069	23.119	0.005	0.005	0.000	0.000	0.000	0.000
443	A	660	SER	0	0.006	0.019	25.674	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	661	GLY	0	0.076	0.022	29.263	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	662	ALA	0	-0.057	-0.022	32.134	0.006	0.006	0.000	0.000	0.000	0.000
446	A	663	PHE	0	0.009	-0.001	33.631	-0.005	-0.005	0.000	0.000	0.000	0.000
447	A	664	LEU	0	-0.031	-0.014	34.228	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	665	LEU	0	-0.019	-0.008	33.403	-0.004	-0.004	0.000	0.000	0.000	0.000
449	A	666	SER	0	-0.018	-0.025	31.299	0.002	0.002	0.000	0.000	0.000	0.000
450	A	667	PRO	0	-0.007	0.007	26.440	0.000	0.000	0.000	0.000	0.000	0.000
451	A	668	THR	0	0.000	-0.007	28.570	0.010	0.010	0.000	0.000	0.000	0.000
452	A	669	LYS	1	0.860	0.934	22.322	-0.256	-0.256	0.000	0.000	0.000	0.000
453	A	670	LEU	0	0.096	0.072	26.211	-0.003	-0.003	0.000	0.000	0.000	0.000
454	A	671	MET	0	-0.016	0.011	24.922	0.007	0.007	0.000	0.000	0.000	0.000
455	A	672	ARG	1	0.915	0.944	25.564	-0.126	-0.126	0.000	0.000	0.000	0.000
456	A	673	THR	0	-0.046	-0.032	23.964	0.006	0.006	0.000	0.000	0.000	0.000
457	A	674	VAL	0	0.037	0.025	22.111	0.014	0.014	0.000	0.000	0.000	0.000
458	A	675	GLU	-1	-0.889	-0.952	20.785	0.415	0.415	0.000	0.000	0.000	0.000
459	A	676	GLY	0	0.019	-0.010	17.773	-0.026	-0.026	0.000	0.000	0.000	0.000
460	A	677	ALA	0	0.007	0.008	18.828	-0.024	-0.024	0.000	0.000	0.000	0.000
461	A	678	THR	0	-0.009	-0.013	12.721	-0.055	-0.055	0.000	0.000	0.000	0.000
462	A	679	GLN	0	-0.018	-0.020	14.805	-0.021	-0.021	0.000	0.000	0.000	0.000
463	A	680	HIS	0	0.042	0.028	16.884	-0.041	-0.041	0.000	0.000	0.000	0.000
464	A	681	GLN	0	-0.045	-0.022	17.308	-0.035	-0.035	0.000	0.000	0.000	0.000
465	A	682	GLU	-1	-0.824	-0.906	13.528	0.455	0.455	0.000	0.000	0.000	0.000
466	A	683	LEU	0	0.023	0.016	17.375	-0.039	-0.039	0.000	0.000	0.000	0.000
467	A	684	LEU	0	-0.047	-0.030	19.882	-0.025	-0.025	0.000	0.000	0.000	0.000
468	A	685	GLU	-1	-0.803	-0.903	19.227	0.092	0.092	0.000	0.000	0.000	0.000
469	A	686	THR	0	-0.082	-0.042	18.085	-0.013	-0.013	0.000	0.000	0.000	0.000
470	A	687	CYS	0	-0.086	-0.019	20.147	-0.017	-0.017	0.000	0.000	0.000	0.000
471	A	688	PRO	0	0.048	0.010	23.771	-0.006	-0.006	0.000	0.000	0.000	0.000
472	A	689	PRO	0	0.078	0.030	25.848	0.006	0.006	0.000	0.000	0.000	0.000
473	A	690	THR	0	0.015	0.008	27.806	0.006	0.006	0.000	0.000	0.000	0.000
474	A	691	ALA	0	-0.060	-0.018	28.015	0.001	0.001	0.000	0.000	0.000	0.000
475	A	692	LEU	0	0.041	0.019	25.706	0.006	0.006	0.000	0.000	0.000	0.000
476	A	693	HIS	0	0.018	0.015	30.184	0.006	0.006	0.000	0.000	0.000	0.000
477	A	694	GLY	0	0.050	0.032	33.570	0.000	0.000	0.000	0.000	0.000	0.000
478	A	695	ALA	0	0.032	-0.009	31.788	0.000	0.000	0.000	0.000	0.000	0.000
479	A	696	LEU	0	-0.014	0.001	29.478	0.003	0.003	0.000	0.000	0.000	0.000
480	A	697	ASP	-1	-0.743	-0.846	33.497	0.049	0.049	0.000	0.000	0.000	0.000
481	A	698	ALA	0	-0.003	-0.005	36.966	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	699	LEU	0	-0.029	-0.018	32.136	0.001	0.001	0.000	0.000	0.000	0.000
483	A	700	THR	0	-0.012	-0.009	36.103	0.000	0.000	0.000	0.000	0.000	0.000
484	A	701	GLN	0	-0.022	-0.012	38.080	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	702	LEU	0	-0.038	-0.016	38.437	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	703	GLY	0	-0.042	-0.016	39.489	0.000	0.000	0.000	0.000	0.000	0.000
487	A	704	ASN	0	-0.011	-0.034	40.408	-0.004	-0.004	0.000	0.000	0.000	0.000
488	A	705	CYS	0	-0.026	0.008	43.288	-0.004	-0.004	0.000	0.000	0.000	0.000
489	A	706	ALA	0	-0.015	0.010	45.733	0.002	0.002	0.000	0.000	0.000	0.000
490	A	707	TRP	0	-0.009	-0.013	45.021	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	708	ARG	1	0.876	0.916	49.374	-0.043	-0.043	0.000	0.000	0.000	0.000
492	A	709	VAL	0	-0.005	-0.004	51.495	0.002	0.002	0.000	0.000	0.000	0.000
493	A	710	ASN	0	0.006	0.014	53.663	-0.003	-0.003	0.000	0.000	0.000	0.000
494	A	711	GLY	0	0.025	-0.008	56.836	0.001	0.001	0.000	0.000	0.000	0.000
495	A	712	ARG	1	0.947	0.962	58.834	-0.038	-0.038	0.000	0.000	0.000	0.000
496	A	713	VAL	0	0.004	0.007	56.344	0.000	0.000	0.000	0.000	0.000	0.000
497	A	714	LEU	0	0.008	-0.004	54.026	0.001	0.001	0.000	0.000	0.000	0.000
498	A	715	ASP	-1	-0.805	-0.879	57.200	0.046	0.046	0.000	0.000	0.000	0.000
499	A	716	LEU	0	-0.022	0.001	60.603	0.000	0.000	0.000	0.000	0.000	0.000
500	A	717	VAL	0	-0.004	-0.004	54.627	0.001	0.001	0.000	0.000	0.000	0.000
501	A	718	LEU	0	-0.019	-0.022	54.947	0.002	0.002	0.000	0.000	0.000	0.000
502	A	719	GLN	0	0.003	0.005	58.260	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	720	LEU	0	-0.013	0.003	59.501	0.000	0.000	0.000	0.000	0.000	0.000
504	A	721	PHE	0	-0.021	-0.017	52.342	0.001	0.001	0.000	0.000	0.000	0.000
505	A	722	GLN	0	-0.044	-0.032	57.643	0.000	0.000	0.000	0.000	0.000	0.000
506	A	723	ALA	0	0.026	0.033	59.599	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	724	LYS	1	0.809	0.876	60.863	-0.049	-0.049	0.000	0.000	0.000	0.000
508	A	725	GLY	0	0.018	0.006	58.263	0.002	0.002	0.000	0.000	0.000	0.000
509	A	726	CYS	0	-0.042	-0.024	58.049	-0.002	-0.002	0.000	0.000	0.000	0.000
510	A	727	PRO	0	0.024	0.010	56.167	0.001	0.001	0.000	0.000	0.000	0.000
511	A	728	GLN	0	0.025	0.006	56.440	0.002	0.002	0.000	0.000	0.000	0.000
512	A	729	LEU	0	0.026	0.022	58.036	0.000	0.000	0.000	0.000	0.000	0.000
513	A	730	GLY	0	0.012	0.012	53.901	0.001	0.001	0.000	0.000	0.000	0.000
514	A	731	VAL	0	-0.018	0.000	53.199	0.003	0.003	0.000	0.000	0.000	0.000
515	A	732	PRO	0	-0.037	-0.030	51.080	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	733	ALA	0	0.051	0.028	54.024	-0.002	-0.002	0.000	0.000	0.000	0.000
517	A	734	PRO	0	-0.005	0.017	55.125	0.003	0.003	0.000	0.000	0.000	0.000
518	A	735	PRO	0	0.009	-0.020	54.254	0.000	0.000	0.000	0.000	0.000	0.000
519	A	736	SER	0	-0.024	-0.008	56.238	0.001	0.001	0.000	0.000	0.000	0.000
520	A	737	GLU	-1	-0.801	-0.884	58.988	0.052	0.052	0.000	0.000	0.000	0.000
521	A	738	ALA	0	-0.056	-0.022	56.128	0.001	0.001	0.000	0.000	0.000	0.000
522	A	739	PRO	0	-0.021	-0.003	56.433	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	740	GLN	0	0.025	0.005	58.533	0.002	0.002	0.000	0.000	0.000	0.000
524	A	741	PRO	0	-0.022	-0.023	59.623	0.000	0.000	0.000	0.000	0.000	0.000
525	A	742	PRO	0	-0.010	0.028	61.795	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	743	GLU	-1	-0.847	-0.933	65.543	0.051	0.051	0.000	0.000	0.000	0.000
527	A	744	ALA	0	-0.054	-0.044	63.192	0.001	0.001	0.000	0.000	0.000	0.000
528	A	745	HIS	0	-0.050	-0.039	60.851	0.000	0.000	0.000	0.000	0.000	0.000
529	A	746	LEU	0	0.052	0.040	64.478	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	747	PRO	0	-0.066	-0.006	65.065	0.000	0.000	0.000	0.000	0.000	0.000
531	A	748	HIS	0	0.075	0.006	65.165	0.000	0.000	0.000	0.000	0.000	0.000
532	A	749	SER	0	0.024	0.021	68.026	0.001	0.001	0.000	0.000	0.000	0.000
533	A	750	ALA	0	0.054	0.035	69.522	0.000	0.000	0.000	0.000	0.000	0.000
534	A	751	ALA	0	0.056	0.011	67.105	0.000	0.000	0.000	0.000	0.000	0.000
535	A	752	PRO	0	0.002	-0.004	63.315	0.001	0.001	0.000	0.000	0.000	0.000
536	A	753	ALA	0	0.033	0.015	62.199	0.002	0.002	0.000	0.000	0.000	0.000
537	A	754	ARG	1	0.905	0.925	62.685	-0.050	-0.050	0.000	0.000	0.000	0.000
538	A	755	LYS	1	0.890	0.945	61.551	-0.052	-0.052	0.000	0.000	0.000	0.000
539	A	756	ALA	0	-0.024	-0.016	58.310	0.002	0.002	0.000	0.000	0.000	0.000
540	A	757	GLU	-1	-0.872	-0.934	58.375	0.058	0.058	0.000	0.000	0.000	0.000
541	A	758	LEU	0	0.108	0.073	59.859	0.002	0.002	0.000	0.000	0.000	0.000
542	A	759	ARG	1	0.943	0.970	52.239	-0.076	-0.076	0.000	0.000	0.000	0.000
543	A	760	ARG	1	0.904	0.955	54.948	-0.063	-0.063	0.000	0.000	0.000	0.000
544	A	761	GLU	-1	-0.880	-0.928	55.614	0.062	0.062	0.000	0.000	0.000	0.000
545	A	762	LEU	0	0.054	0.017	55.800	0.001	0.001	0.000	0.000	0.000	0.000
546	A	763	ALA	0	-0.040	-0.016	51.597	0.003	0.003	0.000	0.000	0.000	0.000
547	A	764	HIS	0	-0.005	-0.002	51.809	0.007	0.007	0.000	0.000	0.000	0.000
548	A	765	CYS	0	0.035	0.026	53.561	0.001	0.001	0.000	0.000	0.000	0.000
549	A	766	GLN	0	0.027	0.007	50.804	0.000	0.000	0.000	0.000	0.000	0.000
550	A	767	LYS	1	0.746	0.869	47.566	-0.091	-0.091	0.000	0.000	0.000	0.000
551	A	768	VAL	0	0.070	0.031	49.762	0.003	0.003	0.000	0.000	0.000	0.000
552	A	769	ALA	0	0.058	0.035	51.984	0.001	0.001	0.000	0.000	0.000	0.000
553	A	770	ARG	1	0.853	0.902	46.313	-0.098	-0.098	0.000	0.000	0.000	0.000
554	A	771	GLU	-1	-0.853	-0.901	47.070	0.099	0.099	0.000	0.000	0.000	0.000
555	A	772	MET	0	0.003	0.009	48.639	0.001	0.001	0.000	0.000	0.000	0.000
556	A	773	HIS	0	0.024	0.016	47.702	-0.003	-0.003	0.000	0.000	0.000	0.000
557	A	774	SER	0	-0.061	-0.034	44.786	0.003	0.003	0.000	0.000	0.000	0.000
558	A	775	LEU	0	-0.007	-0.006	46.222	0.001	0.001	0.000	0.000	0.000	0.000
559	A	776	ARG	1	0.793	0.883	48.298	-0.067	-0.067	0.000	0.000	0.000	0.000
560	A	777	ALA	0	-0.003	-0.002	45.753	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	778	GLU	-1	-0.856	-0.908	43.841	0.092	0.092	0.000	0.000	0.000	0.000
562	A	779	ALA	0	0.021	0.009	45.636	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	780	LEU	0	0.004	0.019	48.564	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	781	TYR	0	-0.019	0.005	43.585	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	782	ARG	1	0.857	0.906	45.767	-0.086	-0.086	0.000	0.000	0.000	0.000
566	A	783	LEU	0	0.022	0.003	47.094	-0.003	-0.003	0.000	0.000	0.000	0.000
567	A	784	SER	0	-0.004	-0.021	48.598	-0.004	-0.004	0.000	0.000	0.000	0.000
568	A	785	LEU	0	-0.037	-0.014	43.535	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	786	ALA	0	0.002	0.016	48.077	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	787	GLN	0	0.067	0.027	50.694	-0.003	-0.003	0.000	0.000	0.000	0.000
571	A	788	HIS	0	-0.037	-0.016	46.988	-0.004	-0.004	0.000	0.000	0.000	0.000
572	A	789	LEU	0	-0.059	-0.041	46.098	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	790	ARG	1	0.840	0.903	50.740	-0.048	-0.048	0.000	0.000	0.000	0.000
574	A	791	ASP	-1	-0.905	-0.949	54.419	0.042	0.042	0.000	0.000	0.000	0.000
575	A	792	ARG	1	0.799	0.905	49.554	-0.053	-0.053	0.000	0.000	0.000	0.000
576	A	793	VAL	0	0.000	0.008	49.270	0.001	0.001	0.000	0.000	0.000	0.000
577	A	794	PHE	0	-0.021	-0.012	45.723	0.001	0.001	0.000	0.000	0.000	0.000
578	A	795	TRP	0	0.029	0.021	42.737	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	796	LEU	0	-0.001	0.000	41.026	0.004	0.004	0.000	0.000	0.000	0.000
580	A	797	PRO	0	0.077	0.045	36.020	0.000	0.000	0.000	0.000	0.000	0.000
581	A	798	HIS	0	-0.008	-0.014	36.140	0.006	0.006	0.000	0.000	0.000	0.000
582	A	799	ASN	0	-0.015	-0.029	29.808	0.009	0.009	0.000	0.000	0.000	0.000
583	A	800	MET	0	0.051	0.036	29.202	-0.008	-0.008	0.000	0.000	0.000	0.000
584	A	801	ASP	-1	-0.837	-0.883	28.978	0.175	0.175	0.000	0.000	0.000	0.000
585	A	802	PHE	0	0.000	-0.043	25.410	-0.005	-0.005	0.000	0.000	0.000	0.000
586	A	803	ARG	1	0.831	0.905	27.148	-0.177	-0.177	0.000	0.000	0.000	0.000
587	A	804	GLY	0	0.056	0.028	30.279	-0.011	-0.011	0.000	0.000	0.000	0.000
588	A	805	ARG	1	0.770	0.866	31.789	-0.115	-0.115	0.000	0.000	0.000	0.000
589	A	806	THR	0	0.005	0.008	33.438	0.009	0.009	0.000	0.000	0.000	0.000
590	A	807	TYR	0	-0.065	-0.052	33.121	-0.003	-0.003	0.000	0.000	0.000	0.000
591	A	808	PRO	0	0.078	0.050	35.753	0.002	0.002	0.000	0.000	0.000	0.000
592	A	809	CYS	0	-0.060	-0.004	33.878	0.011	0.011	0.000	0.000	0.000	0.000
593	A	810	PRO	0	0.053	0.037	35.716	0.005	0.005	0.000	0.000	0.000	0.000
594	A	811	PRO	0	-0.051	-0.014	36.446	-0.003	-0.003	0.000	0.000	0.000	0.000
595	A	812	HIS	0	-0.074	-0.042	38.497	-0.005	-0.005	0.000	0.000	0.000	0.000
596	A	813	PHE	0	0.022	0.002	41.993	-0.002	-0.002	0.000	0.000	0.000	0.000
597	A	814	ASN	0	-0.008	-0.017	40.752	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	815	HIS	0	0.054	0.027	42.328	0.001	0.001	0.000	0.000	0.000	0.000
599	A	816	LEU	0	0.004	0.009	39.328	0.000	0.000	0.000	0.000	0.000	0.000
600	A	817	GLY	0	-0.028	-0.002	43.552	0.003	0.003	0.000	0.000	0.000	0.000
601	A	818	SER	0	0.003	-0.009	45.274	-0.002	-0.002	0.000	0.000	0.000	0.000
602	A	819	ASP	-1	-0.692	-0.841	48.404	0.060	0.060	0.000	0.000	0.000	0.000
603	A	820	VAL	0	0.031	0.013	51.707	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	821	ALA	0	-0.054	-0.032	47.594	-0.002	-0.002	0.000	0.000	0.000	0.000
605	A	822	ARG	1	0.863	0.920	45.660	-0.079	-0.079	0.000	0.000	0.000	0.000
606	A	823	ALA	0	0.005	0.023	50.491	-0.002	-0.002	0.000	0.000	0.000	0.000
607	A	824	LEU	0	-0.018	0.003	51.266	-0.002	-0.002	0.000	0.000	0.000	0.000
608	A	825	LEU	0	-0.068	-0.009	47.442	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	826	GLU	-1	-0.797	-0.875	51.867	0.044	0.044	0.000	0.000	0.000	0.000
610	A	827	PHE	0	0.027	0.008	48.863	0.002	0.002	0.000	0.000	0.000	0.000
611	A	828	ALA	0	-0.013	-0.016	51.602	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	829	GLN	0	-0.068	-0.029	52.552	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	830	GLY	0	0.050	0.028	54.734	0.002	0.002	0.000	0.000	0.000	0.000
614	A	831	ARG	1	0.783	0.839	55.960	-0.035	-0.035	0.000	0.000	0.000	0.000
615	A	832	PRO	0	-0.002	-0.002	58.930	0.001	0.001	0.000	0.000	0.000	0.000
616	A	833	LEU	0	-0.045	-0.014	61.751	0.000	0.000	0.000	0.000	0.000	0.000
617	A	834	GLY	0	0.033	0.019	63.193	0.001	0.001	0.000	0.000	0.000	0.000
618	A	835	PRO	0	-0.019	-0.027	64.903	0.000	0.000	0.000	0.000	0.000	0.000
619	A	836	HIS	0	0.028	0.007	63.503	0.000	0.000	0.000	0.000	0.000	0.000
620	A	837	GLY	0	0.022	0.021	62.078	0.001	0.001	0.000	0.000	0.000	0.000
621	A	838	LEU	0	0.055	0.016	62.828	0.002	0.002	0.000	0.000	0.000	0.000
622	A	839	ASP	-1	-0.755	-0.888	65.261	0.032	0.032	0.000	0.000	0.000	0.000
623	A	840	TRP	0	-0.024	-0.018	58.892	0.002	0.002	0.000	0.000	0.000	0.000
624	A	841	LEU	0	-0.020	-0.006	60.013	0.002	0.002	0.000	0.000	0.000	0.000
625	A	842	LYS	1	0.833	0.905	62.083	-0.029	-0.029	0.000	0.000	0.000	0.000
626	A	843	ILE	0	-0.028	-0.018	60.136	0.001	0.001	0.000	0.000	0.000	0.000
627	A	844	HIS	0	-0.042	-0.016	55.480	0.004	0.004	0.000	0.000	0.000	0.000
628	A	845	LEU	0	0.068	0.025	59.129	0.002	0.002	0.000	0.000	0.000	0.000
629	A	846	VAL	0	0.034	0.022	61.290	0.001	0.001	0.000	0.000	0.000	0.000
630	A	847	ASN	0	-0.045	-0.019	57.185	0.001	0.001	0.000	0.000	0.000	0.000
631	A	848	LEU	0	-0.044	-0.015	54.933	0.002	0.002	0.000	0.000	0.000	0.000
632	A	849	THR	0	0.018	0.009	58.063	0.001	0.001	0.000	0.000	0.000	0.000
633	A	850	GLY	0	-0.060	-0.037	59.202	0.001	0.001	0.000	0.000	0.000	0.000
634	A	851	LEU	0	0.058	0.017	59.786	0.000	0.000	0.000	0.000	0.000	0.000
635	A	852	LYS	1	0.894	0.955	62.730	-0.038	-0.038	0.000	0.000	0.000	0.000
636	A	853	LYS	1	0.823	0.923	55.962	-0.056	-0.056	0.000	0.000	0.000	0.000
637	A	854	ARG	1	0.886	0.927	60.071	-0.045	-0.045	0.000	0.000	0.000	0.000
638	A	855	GLU	-1	-0.789	-0.877	62.246	0.035	0.035	0.000	0.000	0.000	0.000
639	A	856	PRO	0	0.046	0.032	63.010	0.001	0.001	0.000	0.000	0.000	0.000
640	A	857	LEU	0	0.027	0.000	59.847	0.000	0.000	0.000	0.000	0.000	0.000
641	A	858	ARG	1	0.878	0.889	63.936	-0.031	-0.031	0.000	0.000	0.000	0.000
642	A	859	LYS	1	0.933	0.965	67.209	-0.034	-0.034	0.000	0.000	0.000	0.000
643	A	860	ARG	1	0.793	0.899	58.482	-0.044	-0.044	0.000	0.000	0.000	0.000
644	A	861	LEU	0	-0.002	0.006	65.771	0.000	0.000	0.000	0.000	0.000	0.000
645	A	862	ALA	0	0.026	0.006	67.500	0.000	0.000	0.000	0.000	0.000	0.000
646	A	863	PHE	0	-0.008	-0.013	66.240	0.000	0.000	0.000	0.000	0.000	0.000
647	A	864	ALA	0	-0.006	-0.011	66.802	0.000	0.000	0.000	0.000	0.000	0.000
648	A	865	GLU	-1	-0.801	-0.895	68.718	0.030	0.030	0.000	0.000	0.000	0.000
649	A	866	GLU	-1	-0.954	-0.967	72.307	0.031	0.031	0.000	0.000	0.000	0.000
650	A	867	VAL	0	-0.033	-0.020	68.495	0.000	0.000	0.000	0.000	0.000	0.000
651	A	868	MET	0	0.031	0.023	69.670	0.001	0.001	0.000	0.000	0.000	0.000
652	A	869	ASP	-1	-0.867	-0.936	72.082	0.029	0.029	0.000	0.000	0.000	0.000
653	A	870	ASP	-1	-0.893	-0.957	70.442	0.035	0.035	0.000	0.000	0.000	0.000
654	A	871	ILE	0	-0.027	0.006	66.905	0.002	0.002	0.000	0.000	0.000	0.000
655	A	872	LEU	0	0.012	0.000	68.469	0.001	0.001	0.000	0.000	0.000	0.000
656	A	873	ASP	-1	-0.784	-0.874	70.861	0.034	0.034	0.000	0.000	0.000	0.000
657	A	874	SER	0	-0.036	-0.042	66.362	0.001	0.001	0.000	0.000	0.000	0.000
658	A	875	ALA	0	-0.017	-0.006	66.329	0.001	0.001	0.000	0.000	0.000	0.000
659	A	876	ASP	-1	-0.786	-0.850	67.397	0.033	0.033	0.000	0.000	0.000	0.000
660	A	877	GLN	0	-0.035	-0.009	70.421	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	878	PRO	0	-0.004	0.010	64.964	0.001	0.001	0.000	0.000	0.000	0.000
662	A	879	LEU	0	0.042	0.004	63.680	0.001	0.001	0.000	0.000	0.000	0.000
663	A	880	THR	0	-0.047	-0.040	67.732	0.000	0.000	0.000	0.000	0.000	0.000
664	A	881	GLY	0	0.047	0.046	70.984	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	882	ARG	1	0.831	0.890	72.362	-0.032	-0.032	0.000	0.000	0.000	0.000
666	A	883	LYS	1	0.815	0.919	67.289	-0.038	-0.038	0.000	0.000	0.000	0.000
667	A	884	TRP	0	0.060	0.035	65.635	0.002	0.002	0.000	0.000	0.000	0.000
668	A	885	TRP	0	-0.012	-0.028	60.377	0.002	0.002	0.000	0.000	0.000	0.000
669	A	886	MET	0	-0.040	-0.017	62.536	0.002	0.002	0.000	0.000	0.000	0.000
670	A	887	GLY	0	-0.012	0.010	62.319	0.002	0.002	0.000	0.000	0.000	0.000
671	A	888	ALA	0	-0.045	-0.007	60.343	0.000	0.000	0.000	0.000	0.000	0.000
672	A	889	GLU	-1	-0.915	-0.970	55.655	0.062	0.062	0.000	0.000	0.000	0.000
673	A	890	GLU	-1	-0.937	-0.963	52.655	0.070	0.070	0.000	0.000	0.000	0.000
674	A	891	PRO	0	0.022	0.033	56.452	-0.002	-0.002	0.000	0.000	0.000	0.000
675	A	892	TRP	0	0.013	-0.025	55.608	-0.003	-0.003	0.000	0.000	0.000	0.000
676	A	893	GLN	0	-0.062	-0.051	52.562	-0.002	-0.002	0.000	0.000	0.000	0.000
677	A	894	THR	0	-0.010	-0.014	56.706	-0.002	-0.002	0.000	0.000	0.000	0.000
678	A	895	LEU	0	0.013	0.014	60.213	-0.002	-0.002	0.000	0.000	0.000	0.000
679	A	896	ALA	0	0.020	0.008	57.878	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	897	CYS	0	-0.041	-0.013	59.472	-0.002	-0.002	0.000	0.000	0.000	0.000
681	A	898	CYS	0	-0.047	-0.006	61.033	-0.002	-0.002	0.000	0.000	0.000	0.000
682	A	899	MET	0	-0.055	-0.028	62.598	-0.002	-0.002	0.000	0.000	0.000	0.000
683	A	900	GLU	-1	-0.755	-0.833	60.346	0.038	0.038	0.000	0.000	0.000	0.000
684	A	901	VAL	0	-0.007	-0.010	63.304	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	902	ALA	0	0.020	0.007	66.032	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	903	ASN	0	-0.044	-0.029	64.054	-0.002	-0.002	0.000	0.000	0.000	0.000
687	A	904	ALA	0	-0.026	-0.006	65.650	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	905	VAL	0	-0.016	-0.025	67.633	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	906	ARG	1	0.790	0.854	70.844	-0.032	-0.032	0.000	0.000	0.000	0.000
690	A	907	ALA	0	-0.022	0.013	69.178	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	908	SER	0	-0.013	-0.015	71.338	0.000	0.000	0.000	0.000	0.000	0.000
692	A	909	ASP	-1	-0.837	-0.926	71.559	0.024	0.024	0.000	0.000	0.000	0.000
693	A	910	PRO	0	0.008	0.006	69.343	0.001	0.001	0.000	0.000	0.000	0.000
694	A	911	ALA	0	-0.010	0.002	67.569	0.001	0.001	0.000	0.000	0.000	0.000
695	A	912	ALA	0	-0.009	-0.001	66.631	0.000	0.000	0.000	0.000	0.000	0.000
696	A	913	TYR	0	-0.034	-0.031	62.937	0.000	0.000	0.000	0.000	0.000	0.000
697	A	914	VAL	0	-0.026	-0.014	60.600	0.001	0.001	0.000	0.000	0.000	0.000
698	A	915	SER	0	-0.026	-0.026	60.236	0.001	0.001	0.000	0.000	0.000	0.000
699	A	916	HIS	0	-0.008	-0.027	56.050	-0.001	-0.001	0.000	0.000	0.000	0.000
700	A	917	LEU	0	-0.006	0.000	55.276	0.002	0.002	0.000	0.000	0.000	0.000
701	A	918	PRO	0	-0.046	-0.015	51.669	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	919	VAL	0	0.003	0.007	53.844	0.000	0.000	0.000	0.000	0.000	0.000
703	A	920	HIS	1	0.836	0.914	51.372	-0.058	-0.058	0.000	0.000	0.000	0.000
704	A	921	GLN	0	-0.016	0.011	51.420	-0.004	-0.004	0.000	0.000	0.000	0.000
705	A	922	ASP	-1	-0.826	-0.935	49.184	0.065	0.065	0.000	0.000	0.000	0.000
706	A	923	GLY	0	0.019	0.037	48.199	-0.003	-0.003	0.000	0.000	0.000	0.000
707	A	924	SER	0	-0.027	-0.015	48.113	0.003	0.003	0.000	0.000	0.000	0.000
708	A	925	CYS	0	-0.032	-0.023	46.781	0.000	0.000	0.000	0.000	0.000	0.000
709	A	926	ASN	0	0.081	0.030	43.301	0.003	0.003	0.000	0.000	0.000	0.000
710	A	927	GLY	0	0.055	0.025	41.696	0.000	0.000	0.000	0.000	0.000	0.000
711	A	928	LEU	0	-0.023	-0.025	42.499	0.000	0.000	0.000	0.000	0.000	0.000
712	A	929	GLN	0	-0.006	0.003	45.114	0.000	0.000	0.000	0.000	0.000	0.000
713	A	930	HIS	0	0.054	0.048	41.361	-0.006	-0.006	0.000	0.000	0.000	0.000
714	A	931	TYR	0	-0.009	-0.025	37.513	-0.001	-0.001	0.000	0.000	0.000	0.000
715	A	932	ALA	0	0.007	0.012	43.239	-0.002	-0.002	0.000	0.000	0.000	0.000
716	A	933	ALA	0	0.024	0.013	44.968	-0.003	-0.003	0.000	0.000	0.000	0.000
717	A	934	LEU	0	-0.103	-0.057	39.300	-0.003	-0.003	0.000	0.000	0.000	0.000
718	A	935	GLY	0	0.033	0.011	43.179	-0.002	-0.002	0.000	0.000	0.000	0.000
719	A	936	ARG	1	0.884	0.963	45.061	-0.044	-0.044	0.000	0.000	0.000	0.000
720	A	937	ASP	-1	-0.828	-0.906	48.092	0.047	0.047	0.000	0.000	0.000	0.000
721	A	938	SER	0	0.057	0.011	49.870	0.001	0.001	0.000	0.000	0.000	0.000
722	A	939	VAL	0	0.039	0.027	52.741	0.000	0.000	0.000	0.000	0.000	0.000
723	A	940	GLY	0	-0.001	-0.007	49.913	0.001	0.001	0.000	0.000	0.000	0.000
724	A	941	ALA	0	0.017	-0.007	50.930	0.002	0.002	0.000	0.000	0.000	0.000
725	A	942	ALA	0	0.039	0.031	51.912	0.000	0.000	0.000	0.000	0.000	0.000
726	A	943	SER	0	-0.043	-0.030	52.247	0.000	0.000	0.000	0.000	0.000	0.000
727	A	944	VAL	0	-0.065	-0.036	48.578	0.001	0.001	0.000	0.000	0.000	0.000
728	A	945	ASN	0	0.016	0.013	51.660	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	946	LEU	0	-0.029	0.004	48.341	0.000	0.000	0.000	0.000	0.000	0.000
730	A	947	GLU	-1	-0.825	-0.923	52.880	0.034	0.034	0.000	0.000	0.000	0.000
731	A	948	PRO	0	-0.080	-0.025	56.202	0.001	0.001	0.000	0.000	0.000	0.000
732	A	949	SER	0	0.019	-0.004	59.194	-0.001	-0.001	0.000	0.000	0.000	0.000
733	A	950	ASP	-1	-0.768	-0.843	61.651	0.033	0.033	0.000	0.000	0.000	0.000
734	A	951	VAL	0	-0.001	0.009	62.733	0.000	0.000	0.000	0.000	0.000	0.000
735	A	952	PRO	0	-0.014	0.028	58.237	0.001	0.001	0.000	0.000	0.000	0.000
736	A	953	GLN	0	0.019	0.012	56.317	0.000	0.000	0.000	0.000	0.000	0.000
737	A	954	ASP	-1	-0.751	-0.822	55.470	0.057	0.057	0.000	0.000	0.000	0.000
738	A	955	VAL	0	0.094	0.031	50.284	-0.001	-0.001	0.000	0.000	0.000	0.000
739	A	956	TYR	0	-0.048	-0.034	48.393	0.000	0.000	0.000	0.000	0.000	0.000
740	A	957	SER	0	-0.036	-0.045	53.582	0.000	0.000	0.000	0.000	0.000	0.000
741	A	958	GLY	0	0.033	0.025	56.133	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	959	VAL	0	-0.008	-0.015	50.865	0.000	0.000	0.000	0.000	0.000	0.000
743	A	960	ALA	0	-0.028	-0.016	54.179	0.000	0.000	0.000	0.000	0.000	0.000
744	A	961	ALA	0	0.037	0.023	56.461	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	962	GLN	0	0.035	0.019	55.019	-0.002	-0.002	0.000	0.000	0.000	0.000
746	A	963	VAL	0	-0.051	-0.035	53.407	0.000	0.000	0.000	0.000	0.000	0.000
747	A	964	GLU	-1	-0.789	-0.859	56.361	0.048	0.048	0.000	0.000	0.000	0.000
748	A	965	VAL	0	0.011	0.012	59.463	-0.001	-0.001	0.000	0.000	0.000	0.000
749	A	966	PHE	0	-0.041	-0.033	53.486	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	967	ARG	1	0.720	0.818	58.562	-0.048	-0.048	0.000	0.000	0.000	0.000
751	A	968	ARG	1	0.992	0.997	59.673	-0.039	-0.039	0.000	0.000	0.000	0.000
752	A	969	GLN	0	-0.018	-0.012	59.959	0.000	0.000	0.000	0.000	0.000	0.000
753	A	970	ASP	-1	-0.813	-0.905	57.039	0.053	0.053	0.000	0.000	0.000	0.000
754	A	971	ALA	0	-0.027	-0.017	60.601	0.000	0.000	0.000	0.000	0.000	0.000
755	A	972	GLN	0	0.009	0.000	63.340	-0.001	-0.001	0.000	0.000	0.000	0.000
756	A	973	ARG	1	0.916	0.974	59.279	-0.046	-0.046	0.000	0.000	0.000	0.000
757	A	974	GLY	0	0.052	0.030	63.684	0.000	0.000	0.000	0.000	0.000	0.000
758	A	975	MET	0	-0.117	-0.042	55.952	0.002	0.002	0.000	0.000	0.000	0.000
759	A	976	ARG	1	0.951	0.940	57.109	-0.058	-0.058	0.000	0.000	0.000	0.000
760	A	977	VAL	0	-0.017	-0.017	55.245	0.000	0.000	0.000	0.000	0.000	0.000
761	A	978	ALA	0	-0.017	-0.006	58.553	0.000	0.000	0.000	0.000	0.000	0.000
762	A	979	GLN	0	-0.002	-0.008	59.924	0.000	0.000	0.000	0.000	0.000	0.000
763	A	980	VAL	0	-0.007	0.017	59.687	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	981	LEU	0	-0.071	-0.034	55.871	0.001	0.001	0.000	0.000	0.000	0.000
765	A	982	GLU	-1	-0.836	-0.901	60.484	0.043	0.043	0.000	0.000	0.000	0.000
766	A	983	GLY	0	0.028	0.018	63.657	0.000	0.000	0.000	0.000	0.000	0.000
767	A	984	PHE	0	0.045	0.017	59.309	0.001	0.001	0.000	0.000	0.000	0.000
768	A	985	ILE	0	-0.072	-0.023	56.598	0.003	0.003	0.000	0.000	0.000	0.000
769	A	986	THR	0	0.059	0.030	57.462	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	987	ARG	1	0.868	0.880	54.861	-0.055	-0.055	0.000	0.000	0.000	0.000
771	A	988	LYS	1	0.903	0.946	54.138	-0.058	-0.058	0.000	0.000	0.000	0.000
772	A	989	VAL	0	0.029	0.028	52.975	0.004	0.004	0.000	0.000	0.000	0.000
773	A	990	VAL	0	0.040	0.016	50.962	0.004	0.004	0.000	0.000	0.000	0.000
774	A	991	LYS	1	0.935	0.973	49.712	-0.066	-0.066	0.000	0.000	0.000	0.000
775	A	992	GLN	0	0.009	-0.003	43.628	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	993	THR	0	0.021	0.017	44.906	0.003	0.003	0.000	0.000	0.000	0.000
777	A	994	VAL	0	-0.011	-0.011	45.104	0.003	0.003	0.000	0.000	0.000	0.000
778	A	995	MET	0	-0.027	-0.009	44.193	-0.001	-0.001	0.000	0.000	0.000	0.000
779	A	996	THR	0	0.000	-0.023	41.017	0.004	0.004	0.000	0.000	0.000	0.000
780	A	997	VAL	0	-0.003	0.009	40.368	0.007	0.007	0.000	0.000	0.000	0.000
781	A	998	VAL	0	-0.029	-0.003	39.929	0.004	0.004	0.000	0.000	0.000	0.000
782	A	999	TYR	0	-0.026	-0.019	37.569	0.001	0.001	0.000	0.000	0.000	0.000
783	A	1000	GLY	0	0.040	0.020	35.636	0.009	0.009	0.000	0.000	0.000	0.000
784	A	1001	VAL	0	-0.074	-0.015	36.606	0.006	0.006	0.000	0.000	0.000	0.000
785	A	1002	THR	0	0.017	0.003	36.003	-0.006	-0.006	0.000	0.000	0.000	0.000
786	A	1003	ARG	1	0.956	0.963	39.251	-0.087	-0.087	0.000	0.000	0.000	0.000
787	A	1004	TYR	0	0.010	0.014	38.320	-0.005	-0.005	0.000	0.000	0.000	0.000
788	A	1005	GLY	0	0.020	0.002	39.779	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	1006	GLY	0	0.056	0.011	40.638	-0.003	-0.003	0.000	0.000	0.000	0.000
790	A	1007	ARG	1	0.831	0.903	43.886	-0.100	-0.100	0.000	0.000	0.000	0.000
791	A	1008	LEU	0	-0.015	-0.008	40.983	-0.003	-0.003	0.000	0.000	0.000	0.000
792	A	1009	GLN	0	-0.035	-0.011	42.437	-0.006	-0.006	0.000	0.000	0.000	0.000
793	A	1010	ILE	0	0.044	0.025	46.286	-0.003	-0.003	0.000	0.000	0.000	0.000
794	A	1011	GLU	-1	-0.763	-0.849	47.943	0.091	0.091	0.000	0.000	0.000	0.000
795	A	1012	LYS	1	0.905	0.943	45.484	-0.102	-0.102	0.000	0.000	0.000	0.000
796	A	1013	ARG	1	0.769	0.859	49.219	-0.080	-0.080	0.000	0.000	0.000	0.000
797	A	1014	LEU	0	0.002	0.008	52.788	-0.003	-0.003	0.000	0.000	0.000	0.000
798	A	1015	ARG	1	0.847	0.891	49.814	-0.085	-0.085	0.000	0.000	0.000	0.000
799	A	1016	GLU	-1	-0.838	-0.859	53.625	0.072	0.072	0.000	0.000	0.000	0.000
800	A	1017	LEU	0	-0.002	0.006	56.441	-0.002	-0.002	0.000	0.000	0.000	0.000
801	A	1018	SER	0	-0.076	-0.017	59.431	-0.003	-0.003	0.000	0.000	0.000	0.000
802	A	1019	ASP	-1	-0.824	-0.917	61.799	0.049	0.049	0.000	0.000	0.000	0.000
803	A	1020	PHE	0	-0.083	-0.045	56.752	0.000	0.000	0.000	0.000	0.000	0.000
804	A	1021	PRO	0	0.056	0.041	60.433	0.002	0.002	0.000	0.000	0.000	0.000
805	A	1022	GLN	0	0.005	-0.030	56.393	0.005	0.005	0.000	0.000	0.000	0.000
806	A	1023	GLU	-1	-0.886	-0.942	56.509	0.061	0.061	0.000	0.000	0.000	0.000
807	A	1024	PHE	0	-0.004	-0.010	56.399	0.002	0.002	0.000	0.000	0.000	0.000
808	A	1025	VAL	0	-0.011	0.019	51.664	0.002	0.002	0.000	0.000	0.000	0.000
809	A	1026	TRP	0	0.007	0.008	45.898	0.002	0.002	0.000	0.000	0.000	0.000
810	A	1027	GLU	-1	-0.765	-0.868	50.649	0.065	0.065	0.000	0.000	0.000	0.000
811	A	1028	ALA	0	0.063	0.030	52.870	0.000	0.000	0.000	0.000	0.000	0.000
812	A	1029	SER	0	0.010	-0.012	49.095	0.001	0.001	0.000	0.000	0.000	0.000
813	A	1030	HIS	0	-0.039	-0.019	46.563	0.000	0.000	0.000	0.000	0.000	0.000
814	A	1031	TYR	0	-0.073	-0.071	49.099	0.001	0.001	0.000	0.000	0.000	0.000
815	A	1032	LEU	0	0.046	0.019	51.565	0.000	0.000	0.000	0.000	0.000	0.000
816	A	1033	VAL	0	-0.019	0.004	44.918	0.000	0.000	0.000	0.000	0.000	0.000
817	A	1034	ARG	1	0.849	0.927	46.878	-0.070	-0.070	0.000	0.000	0.000	0.000
818	A	1035	GLN	0	0.052	0.037	48.372	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	1036	VAL	0	0.020	0.023	47.582	-0.002	-0.002	0.000	0.000	0.000	0.000
820	A	1037	PHE	0	-0.052	-0.050	41.261	0.000	0.000	0.000	0.000	0.000	0.000
821	A	1038	LYS	1	0.836	0.952	46.926	-0.054	-0.054	0.000	0.000	0.000	0.000
822	A	1039	SER	0	0.047	0.013	49.546	-0.003	-0.003	0.000	0.000	0.000	0.000
823	A	1040	LEU	0	0.000	0.000	45.853	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	1041	GLN	0	-0.050	-0.038	45.035	0.004	0.004	0.000	0.000	0.000	0.000
825	A	1042	GLU	-1	-0.815	-0.899	47.489	0.052	0.052	0.000	0.000	0.000	0.000
826	A	1043	MET	0	-0.028	-0.022	50.888	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	1044	PHE	0	-0.019	-0.004	46.783	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	1045	SER	0	0.032	0.013	46.386	0.003	0.003	0.000	0.000	0.000	0.000
829	A	1046	GLY	0	0.057	0.037	46.044	0.001	0.001	0.000	0.000	0.000	0.000
830	A	1047	THR	0	-0.010	-0.014	42.411	0.001	0.001	0.000	0.000	0.000	0.000
831	A	1048	ARG	1	0.957	0.988	41.862	-0.070	-0.070	0.000	0.000	0.000	0.000
832	A	1049	ALA	0	0.029	0.026	40.980	0.004	0.004	0.000	0.000	0.000	0.000
833	A	1050	ILE	0	0.032	0.019	38.315	0.002	0.002	0.000	0.000	0.000	0.000
834	A	1051	GLN	0	-0.013	-0.014	37.442	0.002	0.002	0.000	0.000	0.000	0.000
835	A	1052	HIS	0	0.000	0.006	36.137	0.009	0.009	0.000	0.000	0.000	0.000
836	A	1053	TRP	0	0.003	0.010	34.371	0.007	0.007	0.000	0.000	0.000	0.000
837	A	1054	LEU	0	0.009	0.020	32.997	0.004	0.004	0.000	0.000	0.000	0.000
838	A	1055	THR	0	-0.052	-0.052	31.411	0.012	0.012	0.000	0.000	0.000	0.000
839	A	1056	GLU	-1	-0.797	-0.867	30.746	0.103	0.103	0.000	0.000	0.000	0.000
840	A	1057	SER	0	0.009	-0.006	30.042	0.001	0.001	0.000	0.000	0.000	0.000
841	A	1058	ALA	0	-0.009	-0.001	26.994	0.006	0.006	0.000	0.000	0.000	0.000
842	A	1059	ARG	1	0.766	0.848	25.812	-0.093	-0.093	0.000	0.000	0.000	0.000
843	A	1060	LEU	0	0.003	0.002	25.665	0.013	0.013	0.000	0.000	0.000	0.000
844	A	1061	ILE	0	0.030	0.030	22.565	0.002	0.002	0.000	0.000	0.000	0.000
845	A	1062	SER	0	-0.011	-0.025	21.408	0.020	0.020	0.000	0.000	0.000	0.000
846	A	1063	HIS	0	-0.111	-0.044	20.698	0.034	0.034	0.000	0.000	0.000	0.000
847	A	1064	MET	0	-0.009	0.020	20.106	-0.007	-0.007	0.000	0.000	0.000	0.000
848	A	1065	GLY	0	-0.040	-0.015	16.650	-0.001	-0.001	0.000	0.000	0.000	0.000
849	A	1066	SER	0	-0.033	-0.019	16.025	0.043	0.043	0.000	0.000	0.000	0.000
850	A	1067	VAL	0	-0.052	-0.040	18.042	-0.008	-0.008	0.000	0.000	0.000	0.000
851	A	1068	VAL	0	0.013	0.010	20.282	-0.016	-0.016	0.000	0.000	0.000	0.000
852	A	1069	GLU	-1	-0.824	-0.882	19.525	0.244	0.244	0.000	0.000	0.000	0.000
853	A	1070	TRP	0	-0.027	-0.033	24.210	-0.011	-0.011	0.000	0.000	0.000	0.000
854	A	1071	VAL	0	0.020	0.015	27.038	0.009	0.009	0.000	0.000	0.000	0.000
855	A	1072	THR	0	0.010	0.015	29.197	-0.009	-0.009	0.000	0.000	0.000	0.000
856	A	1073	PRO	0	0.019	-0.001	32.432	-0.004	-0.004	0.000	0.000	0.000	0.000
857	A	1074	LEU	0	-0.050	-0.026	34.391	-0.007	-0.007	0.000	0.000	0.000	0.000
858	A	1075	GLY	0	-0.005	0.009	30.987	-0.002	-0.002	0.000	0.000	0.000	0.000
859	A	1076	VAL	0	0.031	0.018	28.354	0.003	0.003	0.000	0.000	0.000	0.000
860	A	1077	PRO	0	-0.009	0.010	24.057	0.000	0.000	0.000	0.000	0.000	0.000
861	A	1078	VAL	0	-0.014	-0.013	25.715	0.013	0.013	0.000	0.000	0.000	0.000
862	A	1079	ILE	0	0.031	0.009	19.852	0.001	0.001	0.000	0.000	0.000	0.000
863	A	1080	GLN	0	-0.020	-0.007	23.315	-0.002	-0.002	0.000	0.000	0.000	0.000
864	A	1081	PRO	0	0.007	0.001	20.601	0.028	0.028	0.000	0.000	0.000	0.000
865	A	1082	TYR	0	-0.047	-0.025	20.174	0.045	0.045	0.000	0.000	0.000	0.000
866	A	1083	ARG	1	0.970	0.989	14.236	-0.597	-0.597	0.000	0.000	0.000	0.000
867	A	1084	LEU	0	-0.042	-0.031	17.716	-0.030	-0.030	0.000	0.000	0.000	0.000
868	A	1085	ASP	-1	-0.823	-0.869	15.041	0.936	0.936	0.000	0.000	0.000	0.000
869	A	1107	SER	0	0.070	0.035	8.438	0.130	0.130	0.000	0.000	0.000	0.000
870	A	1108	ARG	1	0.798	0.878	9.446	-0.972	-0.972	0.000	0.000	0.000	0.000
871	A	1109	LYS	1	1.038	1.014	13.205	-0.546	-0.546	0.000	0.000	0.000	0.000
872	A	1110	PRO	0	0.029	0.025	15.405	0.014	0.014	0.000	0.000	0.000	0.000
873	A	1111	ASN	0	-0.025	-0.003	18.635	-0.052	-0.052	0.000	0.000	0.000	0.000
874	A	1112	THR	0	0.113	0.041	21.759	-0.023	-0.023	0.000	0.000	0.000	0.000
875	A	1113	ARG	1	0.960	0.984	23.941	-0.211	-0.211	0.000	0.000	0.000	0.000
876	A	1114	LYS	1	0.871	0.933	24.471	-0.324	-0.324	0.000	0.000	0.000	0.000
877	A	1115	GLN	0	0.008	0.011	21.600	-0.039	-0.039	0.000	0.000	0.000	0.000
878	A	1116	LYS	1	0.940	0.975	25.621	-0.159	-0.159	0.000	0.000	0.000	0.000
879	A	1117	ASN	0	-0.036	-0.029	28.667	-0.016	-0.016	0.000	0.000	0.000	0.000
880	A	1118	GLY	0	0.018	0.016	29.236	-0.008	-0.008	0.000	0.000	0.000	0.000
881	A	1119	PHE	0	0.029	0.030	28.427	-0.002	-0.002	0.000	0.000	0.000	0.000
882	A	1120	PRO	0	0.015	0.014	30.131	-0.006	-0.006	0.000	0.000	0.000	0.000
883	A	1121	PRO	0	-0.007	0.000	32.951	-0.005	-0.005	0.000	0.000	0.000	0.000
884	A	1122	ASN	0	0.023	0.000	28.639	-0.008	-0.008	0.000	0.000	0.000	0.000
885	A	1123	PHE	0	0.038	0.024	32.089	-0.005	-0.005	0.000	0.000	0.000	0.000
886	A	1124	ILE	0	0.003	0.010	33.237	-0.007	-0.007	0.000	0.000	0.000	0.000
887	A	1125	HIS	0	-0.064	-0.042	34.190	0.001	0.001	0.000	0.000	0.000	0.000
888	A	1126	SER	0	-0.005	0.005	32.220	-0.005	-0.005	0.000	0.000	0.000	0.000
889	A	1127	LEU	0	-0.025	-0.002	34.202	-0.007	-0.007	0.000	0.000	0.000	0.000
890	A	1128	ASP	-1	-0.767	-0.859	37.611	0.097	0.097	0.000	0.000	0.000	0.000
891	A	1129	SER	0	0.009	0.002	35.021	-0.005	-0.005	0.000	0.000	0.000	0.000
892	A	1130	SER	0	0.020	-0.017	35.777	-0.004	-0.004	0.000	0.000	0.000	0.000
893	A	1131	HIS	0	-0.049	-0.028	37.731	-0.002	-0.002	0.000	0.000	0.000	0.000
894	A	1132	MET	0	-0.002	0.046	38.414	-0.006	-0.006	0.000	0.000	0.000	0.000
895	A	1133	MET	0	0.000	0.003	33.679	-0.004	-0.004	0.000	0.000	0.000	0.000
896	A	1134	LEU	0	0.003	0.007	39.730	-0.004	-0.004	0.000	0.000	0.000	0.000
897	A	1135	THR	0	-0.019	-0.017	42.014	-0.005	-0.005	0.000	0.000	0.000	0.000
898	A	1136	ALA	0	0.044	0.033	41.829	-0.003	-0.003	0.000	0.000	0.000	0.000
899	A	1137	LEU	0	0.039	0.022	38.670	-0.004	-0.004	0.000	0.000	0.000	0.000
900	A	1138	HIS	1	0.773	0.859	43.246	-0.046	-0.046	0.000	0.000	0.000	0.000
901	A	1139	CYS	0	-0.072	-0.023	46.548	-0.003	-0.003	0.000	0.000	0.000	0.000
902	A	1140	TYR	0	0.062	0.040	44.671	-0.002	-0.002	0.000	0.000	0.000	0.000
903	A	1141	ARG	1	0.903	0.960	45.445	-0.031	-0.031	0.000	0.000	0.000	0.000
904	A	1142	LYS	1	0.910	0.955	48.886	-0.035	-0.035	0.000	0.000	0.000	0.000
905	A	1143	GLY	0	0.061	0.041	50.869	-0.001	-0.001	0.000	0.000	0.000	0.000
906	A	1144	LEU	0	-0.070	-0.032	50.266	0.000	0.000	0.000	0.000	0.000	0.000
907	A	1145	THR	0	0.020	0.025	48.819	0.001	0.001	0.000	0.000	0.000	0.000
908	A	1146	PHE	0	0.000	-0.015	43.595	0.000	0.000	0.000	0.000	0.000	0.000
909	A	1147	VAL	0	0.021	0.008	44.460	0.002	0.002	0.000	0.000	0.000	0.000
910	A	1148	SER	0	-0.008	-0.027	42.018	-0.001	-0.001	0.000	0.000	0.000	0.000
911	A	1149	VAL	0	-0.009	-0.010	42.625	0.004	0.004	0.000	0.000	0.000	0.000
912	A	1150	HIS	0	-0.055	-0.034	37.578	0.000	0.000	0.000	0.000	0.000	0.000
913	A	1151	ASP	-1	-0.807	-0.914	41.461	0.086	0.086	0.000	0.000	0.000	0.000
914	A	1152	CYS	0	-0.055	0.006	44.453	-0.004	-0.004	0.000	0.000	0.000	0.000
915	A	1153	TYR	0	-0.028	-0.047	43.786	0.003	0.003	0.000	0.000	0.000	0.000
916	A	1154	TRP	0	0.010	-0.024	47.917	-0.002	-0.002	0.000	0.000	0.000	0.000
917	A	1155	THR	0	0.039	-0.003	49.296	0.000	0.000	0.000	0.000	0.000	0.000
918	A	1156	HIS	0	0.027	0.023	52.056	0.001	0.001	0.000	0.000	0.000	0.000
919	A	1157	ALA	0	0.027	0.001	55.474	0.000	0.000	0.000	0.000	0.000	0.000
920	A	1158	ALA	0	0.013	0.018	58.612	-0.001	-0.001	0.000	0.000	0.000	0.000
921	A	1159	ASP	-1	-0.808	-0.871	55.000	0.034	0.034	0.000	0.000	0.000	0.000
922	A	1160	VAL	0	0.018	0.011	55.240	0.001	0.001	0.000	0.000	0.000	0.000
923	A	1161	SER	0	-0.001	-0.009	55.514	0.001	0.001	0.000	0.000	0.000	0.000
924	A	1162	VAL	0	0.041	0.026	53.320	0.000	0.000	0.000	0.000	0.000	0.000
925	A	1163	MET	0	0.034	0.030	49.983	0.001	0.001	0.000	0.000	0.000	0.000
926	A	1164	ASN	0	0.008	-0.006	51.225	0.004	0.004	0.000	0.000	0.000	0.000
927	A	1165	GLN	0	0.001	0.004	52.879	0.001	0.001	0.000	0.000	0.000	0.000
928	A	1166	VAL	0	-0.018	-0.012	47.955	0.000	0.000	0.000	0.000	0.000	0.000
929	A	1167	CYS	0	-0.017	0.006	47.945	0.002	0.002	0.000	0.000	0.000	0.000
930	A	1168	ARG	1	0.804	0.894	48.122	-0.042	-0.042	0.000	0.000	0.000	0.000
931	A	1169	GLU	-1	-0.853	-0.935	49.419	0.034	0.034	0.000	0.000	0.000	0.000
932	A	1170	GLN	0	0.014	-0.015	44.713	0.001	0.001	0.000	0.000	0.000	0.000
933	A	1171	PHE	0	-0.013	0.013	44.815	0.002	0.002	0.000	0.000	0.000	0.000
934	A	1172	VAL	0	0.023	0.009	45.574	0.001	0.001	0.000	0.000	0.000	0.000
935	A	1173	ARG	1	0.808	0.896	43.902	-0.038	-0.038	0.000	0.000	0.000	0.000
936	A	1174	LEU	0	-0.018	0.001	38.895	0.000	0.000	0.000	0.000	0.000	0.000
937	A	1175	HIS	1	0.832	0.887	41.825	-0.062	-0.062	0.000	0.000	0.000	0.000
938	A	1176	SER	0	-0.001	-0.013	44.050	-0.001	-0.001	0.000	0.000	0.000	0.000
939	A	1177	GLU	-1	-0.827	-0.876	40.528	0.036	0.036	0.000	0.000	0.000	0.000
940	A	1178	PRO	0	-0.007	0.009	40.120	0.002	0.002	0.000	0.000	0.000	0.000
941	A	1179	ILE	0	0.026	0.004	37.083	0.002	0.002	0.000	0.000	0.000	0.000
942	A	1180	LEU	0	0.005	0.003	36.583	0.004	0.004	0.000	0.000	0.000	0.000
943	A	1181	GLN	0	0.059	0.019	36.099	0.004	0.004	0.000	0.000	0.000	0.000
944	A	1182	ASP	-1	-0.822	-0.907	35.306	0.042	0.042	0.000	0.000	0.000	0.000
945	A	1183	LEU	0	-0.031	-0.006	30.605	0.002	0.002	0.000	0.000	0.000	0.000
946	A	1184	SER	0	-0.043	-0.042	31.346	0.003	0.003	0.000	0.000	0.000	0.000
947	A	1185	ARG	1	0.870	0.901	31.636	-0.037	-0.037	0.000	0.000	0.000	0.000
948	A	1186	PHE	0	-0.033	-0.001	25.511	-0.005	-0.005	0.000	0.000	0.000	0.000
949	A	1187	LEU	0	-0.013	-0.015	26.777	0.002	0.002	0.000	0.000	0.000	0.000
950	A	1188	VAL	0	0.024	0.011	26.771	0.001	0.001	0.000	0.000	0.000	0.000
951	A	1189	LYS	1	0.961	0.985	26.331	-0.031	-0.031	0.000	0.000	0.000	0.000
952	A	1190	ARG	1	0.778	0.855	18.034	-0.176	-0.176	0.000	0.000	0.000	0.000
953	A	1191	PHE	0	0.000	-0.010	20.445	0.011	0.011	0.000	0.000	0.000	0.000
954	A	1192	CYS	0	-0.056	-0.007	23.228	-0.002	-0.002	0.000	0.000	0.000	0.000
955	A	1193	SER	0	0.006	-0.005	22.526	-0.012	-0.012	0.000	0.000	0.000	0.000
956	A	1194	GLU	-1	-0.937	-0.966	18.519	0.032	0.032	0.000	0.000	0.000	0.000
957	A	1195	PRO	0	-0.002	0.015	19.309	0.000	0.000	0.000	0.000	0.000	0.000
958	A	1196	GLN	0	-0.046	-0.022	19.646	0.003	0.003	0.000	0.000	0.000	0.000
959	A	1197	LYS	1	0.841	0.924	18.751	-0.047	-0.047	0.000	0.000	0.000	0.000
960	A	1198	ILE	0	0.114	0.038	22.359	0.012	0.012	0.000	0.000	0.000	0.000
961	A	1199	LEU	0	0.043	0.017	25.091	0.009	0.009	0.000	0.000	0.000	0.000
962	A	1200	GLU	-1	-0.781	-0.898	21.819	0.080	0.080	0.000	0.000	0.000	0.000
963	A	1201	ALA	0	0.035	0.016	24.489	0.011	0.011	0.000	0.000	0.000	0.000
964	A	1202	SER	0	-0.064	-0.026	26.259	0.003	0.003	0.000	0.000	0.000	0.000
965	A	1203	GLN	0	0.055	0.027	28.996	0.001	0.001	0.000	0.000	0.000	0.000
966	A	1204	LEU	0	-0.012	-0.004	25.190	0.006	0.006	0.000	0.000	0.000	0.000
967	A	1205	LYS	1	0.966	0.973	28.984	-0.008	-0.008	0.000	0.000	0.000	0.000
968	A	1206	GLU	-1	-0.919	-0.950	31.039	0.026	0.026	0.000	0.000	0.000	0.000
969	A	1207	THR	0	-0.029	-0.022	31.514	0.004	0.004	0.000	0.000	0.000	0.000
970	A	1208	LEU	0	-0.019	-0.008	28.154	0.003	0.003	0.000	0.000	0.000	0.000
971	A	1209	GLN	0	0.032	0.015	32.797	-0.003	-0.003	0.000	0.000	0.000	0.000
972	A	1210	ALA	0	-0.013	0.023	35.820	-0.003	-0.003	0.000	0.000	0.000	0.000
973	A	1211	VAL	0	-0.033	-0.013	36.796	0.005	0.005	0.000	0.000	0.000	0.000
974	A	1212	PRO	0	-0.029	-0.025	38.718	-0.004	-0.004	0.000	0.000	0.000	0.000
975	A	1213	LYS	1	0.913	0.954	41.924	-0.038	-0.038	0.000	0.000	0.000	0.000
976	A	1214	PRO	0	-0.025	-0.004	44.930	0.002	0.002	0.000	0.000	0.000	0.000
977	A	1215	GLY	0	0.009	0.001	46.902	-0.002	-0.002	0.000	0.000	0.000	0.000
978	A	1216	ALA	0	0.008	-0.005	50.298	-0.001	-0.001	0.000	0.000	0.000	0.000
979	A	1217	PHE	0	-0.048	-0.022	50.563	-0.001	-0.001	0.000	0.000	0.000	0.000
980	A	1218	ASP	-1	-0.793	-0.893	52.138	0.032	0.032	0.000	0.000	0.000	0.000
981	A	1219	LEU	0	-0.048	-0.038	47.350	0.001	0.001	0.000	0.000	0.000	0.000
982	A	1220	GLU	-1	-0.750	-0.877	51.565	0.033	0.033	0.000	0.000	0.000	0.000
983	A	1221	GLN	0	-0.030	-0.019	53.908	-0.001	-0.001	0.000	0.000	0.000	0.000
984	A	1222	VAL	0	-0.003	0.003	50.327	0.000	0.000	0.000	0.000	0.000	0.000
985	A	1223	LYS	1	0.741	0.869	51.710	-0.032	-0.032	0.000	0.000	0.000	0.000
986	A	1224	ARG	1	0.851	0.920	54.971	-0.031	-0.031	0.000	0.000	0.000	0.000
987	A	1225	SER	0	-0.045	-0.001	55.227	-0.001	-0.001	0.000	0.000	0.000	0.000
988	A	1226	THR	0	0.045	0.012	56.239	0.001	0.001	0.000	0.000	0.000	0.000
989	A	1227	TYR	0	-0.017	-0.035	56.646	0.001	0.001	0.000	0.000	0.000	0.000
990	A	1228	PHE	0	-0.008	0.022	47.775	0.002	0.002	0.000	0.000	0.000	0.000
991	A	1229	PHE	0	0.030	-0.007	45.983	0.003	0.003	0.000	0.000	0.000	0.000
992	A	1230	SER	0	0.008	0.027	52.214	-0.002	-0.002	0.000	0.000	0.000	0.000

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