FMO DATABASE

FMODB ID: 66Y4Z

Calculation Name: 2V68-ABIJ-Xray434

Preferred Name:

Target Type:

Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 2V68

Chain ID: ABIJ

ChEMBL ID:

UniProt ID: P00877

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1216
LigandResidueName	CAP
LigandFragmentNumber	1215
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-44058813.243774
FMO2-HF: Nuclear repulsion	43569991.592101
FMO2-HF: Total energy	-488821.651673
FMO2-MP2: Total energy	-490216.959428

3D Structure

Snapshot

Ligand structure

CAP

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.
-926.774	-941.944	192.838	-92.257	-85.409	-0.722

Interactive mode: IFIE and PIEDA for fragment #1215(A:477:CAP)

Summations of interaction energy for fragment #1215(A:477:CAP)

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.
-926.774	-941.944	192.838	-92.257	-85.409	0.722

Interaction energy analysis for fragmet #1215(A:477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.026 / q_NPA : -3.442

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].
164	A	173	THR	0	0.107	0.041	2.095	-17.416	-14.678	5.786	-4.105	-4.420	-0.018
165	A	174	ILE	0	0.000	-0.005	4.064	7.471	7.738	-0.001	-0.062	-0.204	0.000
166	A	175	LYS	1	0.828	0.915	2.062	-230.926	-229.147	9.371	-4.780	-6.370	0.068
168	A	177	LYS	1	0.768	0.891	4.252	-160.977	-160.625	-0.001	-0.110	-0.241	0.000
192	A	201	KCX	-1	-0.529	-0.812	1.629	178.838	170.785	26.500	-10.318	-8.129	-0.097
194	A	203	ASP	0	0.204	0.041	4.333	5.845	6.011	-0.001	-0.037	-0.127	0.000
195	A	204	GLU	0	0.178	-0.023	4.040	-16.813	-16.469	-0.001	-0.067	-0.276	0.000
286	A	294	HIS	0	0.076	0.016	1.868	-3.022	-5.462	10.033	-3.367	-4.226	0.012
287	A	295	ARG	1	0.784	0.855	1.780	-278.428	-280.215	25.278	-13.921	-9.569	0.185
288	A	296	ALA	0	0.012	0.007	5.076	0.231	0.305	-0.001	-0.008	-0.064	0.000
290	A	298	HIS	1	0.839	0.899	3.384	-174.959	-173.140	0.056	-0.915	-0.961	0.008
319	A	327	HIS	0	-0.007	-0.003	1.716	-60.124	-62.354	18.487	-8.842	-7.415	0.100
320	A	328	SER	0	0.020	0.002	4.656	-7.115	-6.963	-0.001	-0.024	-0.127	0.000
321	A	329	GLY	0	0.026	0.015	3.805	-9.765	-9.121	0.009	-0.288	-0.364	0.002
322	A	330	THR	0	0.027	0.006	4.770	-19.095	-18.935	-0.001	-0.015	-0.144	0.000
326	A	334	LYS	1	0.774	0.874	1.888	-271.187	-270.879	10.384	-5.796	-4.897	0.077
327	A	335	LEU	0	-0.020	-0.001	2.468	-22.922	-19.818	3.150	-2.508	-3.746	0.026
328	A	336	GLU	-1	-0.782	-0.892	5.464	82.999	83.057	-0.001	-0.001	-0.055	0.000
370	A	378	ALA	0	0.031	0.028	4.764	19.637	19.831	-0.001	-0.006	-0.188	0.000
371	A	379	SER	0	0.003	-0.045	1.772	-30.441	-30.929	12.992	-6.564	-5.940	0.037
372	A	380	GLY	0	0.073	0.042	2.122	7.203	9.887	7.425	-5.230	-4.879	0.025
373	A	381	GLY	0	-0.041	-0.031	1.860	-44.341	-49.107	9.021	-0.639	-3.615	0.055
374	A	382	ILE	0	-0.032	-0.007	3.865	-29.464	-28.776	0.018	-0.304	-0.402	0.003
393	A	401	GLN	0	0.027	0.000	3.828	-23.328	-23.087	-0.001	-0.037	-0.203	0.000
394	A	402	PHE	0	0.024	0.007	3.688	18.739	19.565	0.018	-0.293	-0.551	0.001
395	A	403	GLY	0	0.074	0.048	1.957	-40.774	-40.218	8.043	-4.994	-3.605	0.065
396	A	404	GLY	0	0.057	0.003	1.787	-52.572	-58.576	12.741	-2.955	-3.781	0.060
397	A	405	GLY	0	-0.032	-0.014	3.675	-30.469	-29.771	0.037	-0.302	-0.433	0.005
524	B	65	THR	0	-0.052	-0.068	1.550	-17.695	-30.560	29.545	-12.187	-4.493	0.082
525	B	66	TRP	0	0.017	0.009	2.415	-50.066	-47.263	2.645	-2.288	-3.160	0.031
582	B	123	ASN	0	0.098	0.015	2.657	5.836	8.542	1.310	-1.288	-2.728	-0.005
583	B	124	VAL	0	0.005	0.005	4.929	4.366	4.468	-0.001	-0.006	-0.096	0.000
1	A	10	GLY	0	0.006	-0.014	52.336	-0.074	-0.074	0.000	0.000	0.000	0.000
2	A	11	ALA	0	-0.020	-0.007	51.167	0.333	0.333	0.000	0.000	0.000	0.000
3	A	12	GLY	0	0.005	0.014	52.360	0.102	0.102	0.000	0.000	0.000	0.000
4	A	13	PHE	0	-0.003	0.001	47.358	0.238	0.238	0.000	0.000	0.000	0.000
5	A	14	LYS	1	0.938	0.966	49.692	-23.730	-23.730	0.000	0.000	0.000	0.000
6	A	15	ALA	0	0.022	0.019	48.480	0.460	0.460	0.000	0.000	0.000	0.000
7	A	16	GLY	0	0.049	0.019	47.208	-0.386	-0.386	0.000	0.000	0.000	0.000
8	A	17	VAL	0	0.001	0.001	42.087	0.265	0.265	0.000	0.000	0.000	0.000
9	A	18	LYS	1	0.882	0.951	43.256	-27.012	-27.012	0.000	0.000	0.000	0.000
10	A	19	ASP	-1	-0.863	-0.924	41.104	28.335	28.335	0.000	0.000	0.000	0.000
11	A	20	TYR	0	-0.044	-0.053	35.514	-0.346	-0.346	0.000	0.000	0.000	0.000
12	A	21	ARG	1	0.964	0.959	38.456	-28.963	-28.963	0.000	0.000	0.000	0.000
13	A	22	LEU	0	-0.059	-0.024	39.337	-0.309	-0.309	0.000	0.000	0.000	0.000
14	A	23	THR	0	-0.068	-0.023	39.663	-0.691	-0.691	0.000	0.000	0.000	0.000
15	A	24	TYR	0	0.017	-0.013	35.214	-0.129	-0.129	0.000	0.000	0.000	0.000
16	A	25	TYR	0	0.001	0.022	35.627	0.552	0.552	0.000	0.000	0.000	0.000
17	A	26	THR	0	-0.060	-0.051	36.827	-0.775	-0.775	0.000	0.000	0.000	0.000
18	A	27	PRO	0	0.030	0.020	37.289	0.510	0.510	0.000	0.000	0.000	0.000
19	A	28	ASP	-1	-0.888	-0.925	38.368	27.995	27.995	0.000	0.000	0.000	0.000
20	A	29	TYR	0	-0.166	-0.103	34.192	-0.820	-0.820	0.000	0.000	0.000	0.000
21	A	30	VAL	0	0.016	0.011	37.096	0.562	0.562	0.000	0.000	0.000	0.000
22	A	31	VAL	0	-0.018	-0.010	31.731	-0.144	-0.144	0.000	0.000	0.000	0.000
23	A	32	ARG	1	0.943	0.972	34.232	-30.834	-30.834	0.000	0.000	0.000	0.000
24	A	33	ASP	-1	-0.872	-0.944	32.325	35.041	35.041	0.000	0.000	0.000	0.000
25	A	34	THR	0	-0.050	-0.040	31.201	0.577	0.577	0.000	0.000	0.000	0.000
26	A	35	ASP	-1	-0.814	-0.880	30.514	34.868	34.868	0.000	0.000	0.000	0.000
27	A	36	ILE	0	0.013	0.011	24.358	0.877	0.877	0.000	0.000	0.000	0.000
28	A	37	LEU	0	-0.045	-0.010	25.784	-1.194	-1.194	0.000	0.000	0.000	0.000
29	A	38	ALA	0	0.020	0.022	23.325	2.135	2.135	0.000	0.000	0.000	0.000
30	A	39	ALA	0	0.010	0.018	22.423	-1.798	-1.798	0.000	0.000	0.000	0.000
31	A	40	PHE	0	0.012	-0.007	22.000	2.705	2.705	0.000	0.000	0.000	0.000
32	A	41	ARG	1	0.836	0.911	19.297	-54.453	-54.453	0.000	0.000	0.000	0.000
33	A	42	MET	0	-0.003	0.002	23.329	0.929	0.929	0.000	0.000	0.000	0.000
34	A	43	THR	0	0.011	0.005	25.108	-0.499	-0.499	0.000	0.000	0.000	0.000
35	A	44	PRO	0	0.041	0.021	27.555	0.244	0.244	0.000	0.000	0.000	0.000
36	A	45	GLN	0	-0.023	-0.006	31.046	-0.087	-0.087	0.000	0.000	0.000	0.000
37	A	46	PRO	0	0.027	0.004	33.061	-0.503	-0.503	0.000	0.000	0.000	0.000
38	A	47	GLY	0	-0.008	-0.002	36.040	-0.373	-0.373	0.000	0.000	0.000	0.000
39	A	48	VAL	0	-0.037	-0.007	34.660	-0.705	-0.705	0.000	0.000	0.000	0.000
40	A	49	PRO	0	-0.020	-0.007	35.676	0.575	0.575	0.000	0.000	0.000	0.000
41	A	50	PRO	0	0.079	0.031	33.163	0.467	0.467	0.000	0.000	0.000	0.000
42	A	51	GLU	-1	-0.892	-0.957	33.717	31.698	31.698	0.000	0.000	0.000	0.000
43	A	52	GLU	-1	-0.775	-0.890	35.865	30.529	30.529	0.000	0.000	0.000	0.000
44	A	53	CYS	0	-0.026	-0.003	30.272	0.548	0.548	0.000	0.000	0.000	0.000
45	A	54	GLY	0	0.061	0.018	30.703	0.975	0.975	0.000	0.000	0.000	0.000
46	A	55	ALA	0	-0.038	-0.013	31.591	0.503	0.503	0.000	0.000	0.000	0.000
47	A	56	ALA	0	0.022	0.011	32.651	-0.043	-0.043	0.000	0.000	0.000	0.000
48	A	57	VAL	0	0.010	0.011	26.835	0.343	0.343	0.000	0.000	0.000	0.000
49	A	58	ALA	0	0.010	0.019	29.342	0.585	0.585	0.000	0.000	0.000	0.000
50	A	59	ALA	0	-0.005	0.011	31.072	-0.033	-0.033	0.000	0.000	0.000	0.000
51	A	60	GLU	-1	-0.777	-0.884	30.841	33.787	33.787	0.000	0.000	0.000	0.000
52	A	61	SER	0	-0.028	0.010	26.892	0.813	0.813	0.000	0.000	0.000	0.000
53	A	62	SER	0	-0.042	-0.047	28.737	0.048	0.048	0.000	0.000	0.000	0.000
54	A	63	THR	0	-0.022	-0.020	31.476	-0.390	-0.390	0.000	0.000	0.000	0.000
55	A	64	GLY	0	-0.014	-0.001	34.536	-0.921	-0.921	0.000	0.000	0.000	0.000
56	A	65	THR	0	-0.041	-0.059	34.826	0.885	0.885	0.000	0.000	0.000	0.000
57	A	66	TRP	0	0.016	0.010	36.920	-0.589	-0.589	0.000	0.000	0.000	0.000
58	A	67	THR	0	-0.007	0.003	38.561	-0.791	-0.791	0.000	0.000	0.000	0.000
59	A	68	THR	0	-0.057	-0.020	41.680	0.452	0.452	0.000	0.000	0.000	0.000
60	A	69	VAL	0	0.040	0.013	41.325	-0.440	-0.440	0.000	0.000	0.000	0.000
61	A	70	TRP	0	-0.037	-0.026	44.292	-0.181	-0.181	0.000	0.000	0.000	0.000
62	A	71	THR	0	-0.047	-0.066	42.631	-0.380	-0.380	0.000	0.000	0.000	0.000
63	A	72	ASP	-1	-0.839	-0.928	41.721	28.184	28.184	0.000	0.000	0.000	0.000
64	A	73	GLY	0	-0.054	-0.023	43.905	0.003	0.003	0.000	0.000	0.000	0.000
65	A	74	LEU	0	-0.094	-0.040	45.832	-0.429	-0.429	0.000	0.000	0.000	0.000
66	A	75	THR	0	-0.047	-0.025	41.280	-0.046	-0.046	0.000	0.000	0.000	0.000
67	A	76	SER	0	-0.015	-0.001	42.756	-0.245	-0.245	0.000	0.000	0.000	0.000
68	A	77	LEU	0	0.079	0.018	39.323	0.566	0.566	0.000	0.000	0.000	0.000
69	A	78	ASP	-1	-0.928	-0.958	39.398	27.804	27.804	0.000	0.000	0.000	0.000
70	A	79	ARG	1	0.879	0.955	39.036	-28.333	-28.333	0.000	0.000	0.000	0.000
71	A	80	TYR	0	-0.008	-0.013	36.155	0.289	0.289	0.000	0.000	0.000	0.000
72	A	81	LYS	1	0.860	0.949	34.817	-28.318	-28.318	0.000	0.000	0.000	0.000
73	A	82	GLY	0	0.058	0.024	31.971	0.206	0.206	0.000	0.000	0.000	0.000
74	A	83	ARG	1	0.842	0.917	32.389	-31.609	-31.609	0.000	0.000	0.000	0.000
75	A	84	CYS	0	-0.019	0.006	31.472	0.841	0.841	0.000	0.000	0.000	0.000
76	A	85	TYR	0	0.009	-0.017	29.564	-0.617	-0.617	0.000	0.000	0.000	0.000
77	A	86	ASP	-1	-0.856	-0.933	31.606	34.396	34.396	0.000	0.000	0.000	0.000
78	A	87	ILE	0	-0.057	-0.024	31.144	1.089	1.089	0.000	0.000	0.000	0.000
79	A	88	GLU	-1	-0.816	-0.892	27.968	39.495	39.495	0.000	0.000	0.000	0.000
80	A	89	PRO	0	0.004	0.003	29.585	0.919	0.919	0.000	0.000	0.000	0.000
81	A	90	VAL	0	-0.012	-0.003	24.527	0.746	0.746	0.000	0.000	0.000	0.000
82	A	91	PRO	0	-0.022	-0.011	26.499	-0.740	-0.740	0.000	0.000	0.000	0.000
83	A	92	GLY	0	-0.015	-0.019	26.789	1.414	1.414	0.000	0.000	0.000	0.000
84	A	93	GLU	-1	-0.896	-0.946	24.664	45.557	45.557	0.000	0.000	0.000	0.000
85	A	94	ASP	-1	-0.920	-0.952	28.536	36.004	36.004	0.000	0.000	0.000	0.000
86	A	95	ASN	0	-0.092	-0.063	29.889	-1.529	-1.529	0.000	0.000	0.000	0.000
87	A	96	GLN	0	0.061	0.023	22.810	1.381	1.381	0.000	0.000	0.000	0.000
88	A	97	TYR	0	0.018	0.004	27.463	-1.090	-1.090	0.000	0.000	0.000	0.000
89	A	98	ILE	0	-0.024	-0.003	23.415	1.738	1.738	0.000	0.000	0.000	0.000
90	A	99	ALA	0	0.008	0.009	26.758	-1.615	-1.615	0.000	0.000	0.000	0.000
91	A	100	TYR	0	-0.040	-0.025	26.111	2.494	2.494	0.000	0.000	0.000	0.000
92	A	101	VAL	0	0.004	-0.004	27.540	-1.623	-1.623	0.000	0.000	0.000	0.000
93	A	102	ALA	0	-0.018	-0.002	28.086	1.143	1.143	0.000	0.000	0.000	0.000
94	A	103	TYR	0	-0.024	-0.054	26.016	-0.679	-0.679	0.000	0.000	0.000	0.000
95	A	104	HYP	0	0.016	0.012	30.277	0.217	0.217	0.000	0.000	0.000	0.000
96	A	105	ILE	0	0.054	0.015	29.632	0.533	0.533	0.000	0.000	0.000	0.000
97	A	106	ASP	-1	-0.899	-0.959	30.959	32.301	32.301	0.000	0.000	0.000	0.000
98	A	107	LEU	0	-0.091	-0.050	30.168	-0.417	-0.417	0.000	0.000	0.000	0.000
99	A	108	PHE	0	-0.024	0.000	25.515	0.607	0.607	0.000	0.000	0.000	0.000
100	A	109	GLU	-1	-0.781	-0.877	27.183	38.186	38.186	0.000	0.000	0.000	0.000
101	A	110	GLU	-1	-0.794	-0.891	26.582	37.512	37.512	0.000	0.000	0.000	0.000
102	A	111	GLY	0	0.033	0.026	24.481	-0.158	-0.158	0.000	0.000	0.000	0.000
103	A	112	SER	0	-0.021	-0.007	22.910	2.322	2.322	0.000	0.000	0.000	0.000
104	A	113	VAL	0	0.028	0.015	16.698	-0.895	-0.895	0.000	0.000	0.000	0.000
105	A	114	THR	0	0.004	0.002	20.080	1.040	1.040	0.000	0.000	0.000	0.000
106	A	115	ASN	0	-0.006	0.001	20.906	-0.710	-0.710	0.000	0.000	0.000	0.000
107	A	116	MET	0	-0.013	0.011	19.344	-1.174	-1.174	0.000	0.000	0.000	0.000
108	A	117	PHE	0	0.007	-0.018	15.078	-0.024	-0.024	0.000	0.000	0.000	0.000
109	A	118	THR	0	-0.010	0.014	20.658	0.411	0.411	0.000	0.000	0.000	0.000
110	A	119	SER	0	0.010	0.006	23.495	-1.480	-1.480	0.000	0.000	0.000	0.000
111	A	120	ILE	0	-0.042	-0.004	22.211	-0.624	-0.624	0.000	0.000	0.000	0.000
112	A	121	VAL	0	-0.018	-0.025	18.457	-0.040	-0.040	0.000	0.000	0.000	0.000
113	A	122	GLY	0	0.020	0.031	21.777	0.907	0.907	0.000	0.000	0.000	0.000
114	A	123	ASN	0	0.101	0.020	23.882	1.516	1.516	0.000	0.000	0.000	0.000
115	A	124	VAL	0	0.009	0.005	24.563	-0.176	-0.176	0.000	0.000	0.000	0.000
116	A	125	PHE	0	0.023	0.017	19.827	-0.855	-0.855	0.000	0.000	0.000	0.000
117	A	126	GLY	0	0.036	0.012	24.042	0.509	0.509	0.000	0.000	0.000	0.000
118	A	127	PHE	0	-0.018	0.003	26.352	-1.305	-1.305	0.000	0.000	0.000	0.000
119	A	128	LYS	1	0.817	0.906	29.375	-32.447	-32.447	0.000	0.000	0.000	0.000
120	A	129	ALA	0	-0.011	0.004	31.813	0.044	0.044	0.000	0.000	0.000	0.000
121	A	130	LEU	0	-0.027	-0.009	26.086	-0.314	-0.314	0.000	0.000	0.000	0.000
122	A	131	ARG	1	0.832	0.905	27.866	-38.333	-38.333	0.000	0.000	0.000	0.000
123	A	132	ALA	0	-0.001	-0.006	22.702	1.345	1.345	0.000	0.000	0.000	0.000
124	A	133	LEU	0	-0.027	-0.007	22.540	-1.770	-1.770	0.000	0.000	0.000	0.000
125	A	134	ARG	1	0.833	0.912	13.232	-66.901	-66.901	0.000	0.000	0.000	0.000
126	A	135	LEU	0	-0.015	0.017	18.206	-1.865	-1.865	0.000	0.000	0.000	0.000
127	A	136	GLU	-1	-0.788	-0.893	17.304	63.604	63.604	0.000	0.000	0.000	0.000
128	A	137	ASP	-1	-0.794	-0.915	17.547	58.715	58.715	0.000	0.000	0.000	0.000
129	A	138	LEU	0	0.005	-0.007	18.875	-2.058	-2.058	0.000	0.000	0.000	0.000
130	A	139	ARG	1	0.850	0.953	20.992	-38.592	-38.592	0.000	0.000	0.000	0.000
131	A	140	ILE	0	0.023	-0.011	20.379	-1.783	-1.783	0.000	0.000	0.000	0.000
132	A	141	PRO	0	0.002	0.025	23.644	0.243	0.243	0.000	0.000	0.000	0.000
133	A	142	PRO	0	0.133	0.049	26.648	0.470	0.470	0.000	0.000	0.000	0.000
134	A	143	ALA	0	-0.022	-0.018	28.032	0.110	0.110	0.000	0.000	0.000	0.000
135	A	144	TYR	0	0.003	-0.017	23.510	0.120	0.120	0.000	0.000	0.000	0.000
136	A	145	VAL	0	0.026	0.026	22.818	0.521	0.521	0.000	0.000	0.000	0.000
137	A	146	LYS	1	0.940	0.959	24.837	-38.953	-38.953	0.000	0.000	0.000	0.000
138	A	147	THR	0	-0.101	-0.051	26.377	-0.580	-0.580	0.000	0.000	0.000	0.000
139	A	148	PHE	0	-0.011	-0.003	21.512	0.174	0.174	0.000	0.000	0.000	0.000
140	A	149	VAL	0	-0.013	-0.002	22.925	-0.613	-0.613	0.000	0.000	0.000	0.000
141	A	150	GLY	0	0.011	0.012	19.942	-0.350	-0.350	0.000	0.000	0.000	0.000
142	A	151	HYP	0	-0.033	-0.034	16.732	1.666	1.666	0.000	0.000	0.000	0.000
143	A	152	PRO	0	-0.033	0.003	17.397	-2.951	-2.951	0.000	0.000	0.000	0.000
144	A	153	HIS	0	-0.045	-0.027	19.183	-5.562	-5.562	0.000	0.000	0.000	0.000
145	A	154	GLY	0	0.057	0.025	17.705	-2.152	-2.152	0.000	0.000	0.000	0.000
146	A	155	ILE	0	-0.038	-0.021	15.259	-0.847	-0.847	0.000	0.000	0.000	0.000
147	A	156	GLN	0	-0.040	-0.018	18.072	0.171	0.171	0.000	0.000	0.000	0.000
148	A	157	VAL	0	0.058	0.032	21.780	-0.771	-0.771	0.000	0.000	0.000	0.000
149	A	158	GLU	-1	-0.803	-0.877	15.406	73.854	73.854	0.000	0.000	0.000	0.000
150	A	159	ARG	1	0.792	0.870	17.538	-63.150	-63.150	0.000	0.000	0.000	0.000
151	A	160	ASP	-1	-0.801	-0.889	20.868	45.905	45.905	0.000	0.000	0.000	0.000
152	A	161	LYS	1	0.811	0.923	21.872	-50.368	-50.368	0.000	0.000	0.000	0.000
153	A	162	LEU	0	-0.036	-0.023	17.090	-0.872	-0.872	0.000	0.000	0.000	0.000
154	A	163	ASN	0	-0.016	-0.004	21.519	-1.030	-1.030	0.000	0.000	0.000	0.000
155	A	164	LYS	1	0.741	0.874	17.996	-61.704	-61.704	0.000	0.000	0.000	0.000
156	A	165	TYR	0	-0.005	-0.021	21.368	1.199	1.199	0.000	0.000	0.000	0.000
157	A	166	GLY	0	0.019	0.028	22.174	-0.436	-0.436	0.000	0.000	0.000	0.000
158	A	167	ARG	1	0.772	0.870	15.809	-66.064	-66.064	0.000	0.000	0.000	0.000
159	A	168	GLY	0	0.053	0.043	15.078	0.103	0.103	0.000	0.000	0.000	0.000
160	A	169	LEU	0	-0.017	-0.012	13.455	-2.032	-2.032	0.000	0.000	0.000	0.000
161	A	170	LEU	0	-0.005	0.004	10.259	6.130	6.130	0.000	0.000	0.000	0.000
162	A	171	GLY	0	0.054	0.007	8.657	-5.726	-5.726	0.000	0.000	0.000	0.000
163	A	172	CYS	0	-0.062	-0.030	5.285	3.716	3.716	0.000	0.000	0.000	0.000
167	A	176	PRO	0	0.053	0.042	7.011	-8.932	-8.932	0.000	0.000	0.000	0.000
169	A	178	LEU	0	-0.022	-0.005	7.361	-6.245	-6.245	0.000	0.000	0.000	0.000
170	A	179	GLY	0	0.060	0.022	10.938	0.203	0.203	0.000	0.000	0.000	0.000
171	A	180	LEU	0	-0.059	-0.010	11.165	-5.732	-5.732	0.000	0.000	0.000	0.000
172	A	181	SER	0	0.059	0.025	14.424	-0.088	-0.088	0.000	0.000	0.000	0.000
173	A	182	ALA	0	0.068	0.027	16.006	2.439	2.439	0.000	0.000	0.000	0.000
174	A	183	LYS	1	0.964	0.988	16.875	-46.591	-46.591	0.000	0.000	0.000	0.000
175	A	184	ASN	0	-0.009	-0.025	15.888	-1.460	-1.460	0.000	0.000	0.000	0.000
176	A	185	TYR	0	0.090	0.048	8.165	1.717	1.717	0.000	0.000	0.000	0.000
177	A	186	GLY	0	0.053	0.028	13.483	2.644	2.644	0.000	0.000	0.000	0.000
178	A	187	ARG	1	0.906	0.951	16.014	-55.622	-55.622	0.000	0.000	0.000	0.000
179	A	188	ALA	0	0.001	-0.004	11.606	-0.429	-0.429	0.000	0.000	0.000	0.000
180	A	189	VAL	0	0.054	0.026	11.249	2.115	2.115	0.000	0.000	0.000	0.000
181	A	190	TYR	0	-0.059	-0.061	13.163	-0.334	-0.334	0.000	0.000	0.000	0.000
182	A	191	GLU	-1	-0.919	-0.964	14.861	57.952	57.952	0.000	0.000	0.000	0.000
183	A	192	CYS	0	-0.034	-0.017	9.480	-0.344	-0.344	0.000	0.000	0.000	0.000
184	A	193	LEU	0	0.017	0.015	12.793	-1.381	-1.381	0.000	0.000	0.000	0.000
185	A	194	ARG	1	0.743	0.837	14.905	-56.768	-56.768	0.000	0.000	0.000	0.000
186	A	195	GLY	0	-0.036	-0.016	15.717	-2.797	-2.797	0.000	0.000	0.000	0.000
187	A	196	GLY	0	0.029	0.016	15.934	-0.565	-0.565	0.000	0.000	0.000	0.000
188	A	197	LEU	0	-0.047	-0.012	9.295	-0.168	-0.168	0.000	0.000	0.000	0.000
189	A	198	ASP	-1	-0.768	-0.848	12.991	67.515	67.515	0.000	0.000	0.000	0.000
190	A	199	PHE	0	0.016	-0.003	10.728	-3.762	-3.762	0.000	0.000	0.000	0.000
191	A	200	THR	0	-0.041	-0.049	8.634	2.614	2.614	0.000	0.000	0.000	0.000
193	A	202	ASP	-1	-0.704	-0.837	6.793	86.368	86.368	0.000	0.000	0.000	0.000
197	A	205	ASN	0	0.006	-0.003	5.660	-4.039	-4.039	0.000	0.000	0.000	0.000
198	A	206	VAL	0	-0.056	-0.002	8.304	-9.308	-9.308	0.000	0.000	0.000	0.000
199	A	207	ASN	0	-0.022	-0.006	10.245	-2.305	-2.305	0.000	0.000	0.000	0.000
200	A	208	SER	0	0.029	0.005	13.092	-1.921	-1.921	0.000	0.000	0.000	0.000
201	A	209	GLN	0	0.015	-0.005	12.407	-1.182	-1.182	0.000	0.000	0.000	0.000
202	A	210	PRO	0	-0.005	0.002	17.473	-1.084	-1.084	0.000	0.000	0.000	0.000
203	A	211	PHE	0	-0.031	-0.005	12.952	-1.546	-1.546	0.000	0.000	0.000	0.000
204	A	212	MET	0	-0.073	-0.021	12.098	-0.904	-0.904	0.000	0.000	0.000	0.000
205	A	213	ARG	1	0.852	0.930	16.741	-50.216	-50.216	0.000	0.000	0.000	0.000
206	A	214	TRP	0	0.063	0.009	16.618	0.347	0.347	0.000	0.000	0.000	0.000
207	A	215	ARG	1	0.965	0.995	17.615	-44.087	-44.087	0.000	0.000	0.000	0.000
208	A	216	ASP	-1	-0.885	-0.946	19.964	48.437	48.437	0.000	0.000	0.000	0.000
209	A	217	ARG	1	0.777	0.856	12.357	-75.004	-75.004	0.000	0.000	0.000	0.000
210	A	218	PHE	0	0.003	-0.014	14.834	0.523	0.523	0.000	0.000	0.000	0.000
211	A	219	LEU	0	0.026	0.016	17.908	-0.574	-0.574	0.000	0.000	0.000	0.000
212	A	220	PHE	0	0.001	-0.010	18.295	-1.098	-1.098	0.000	0.000	0.000	0.000
213	A	221	VAL	0	-0.011	0.000	13.682	0.220	0.220	0.000	0.000	0.000	0.000
214	A	222	ALA	0	0.019	0.019	16.650	0.449	0.449	0.000	0.000	0.000	0.000
215	A	223	GLU	-1	-0.980	-0.983	19.561	46.539	46.539	0.000	0.000	0.000	0.000
216	A	224	ALA	0	-0.024	-0.018	16.743	-0.925	-0.925	0.000	0.000	0.000	0.000
217	A	225	ILE	0	0.017	0.000	15.634	0.110	0.110	0.000	0.000	0.000	0.000
218	A	226	TYR	0	-0.040	-0.034	18.275	-0.592	-0.592	0.000	0.000	0.000	0.000
219	A	227	LYS	1	0.908	0.971	21.248	-48.819	-48.819	0.000	0.000	0.000	0.000
220	A	228	ALA	0	0.025	0.004	18.434	-1.325	-1.325	0.000	0.000	0.000	0.000
221	A	229	GLN	0	0.023	0.023	20.365	1.487	1.487	0.000	0.000	0.000	0.000
222	A	230	ALA	0	-0.025	-0.009	21.945	-1.467	-1.467	0.000	0.000	0.000	0.000
223	A	231	GLU	-1	-0.832	-0.890	22.027	49.728	49.728	0.000	0.000	0.000	0.000
224	A	232	THR	0	-0.020	-0.018	19.457	-0.817	-0.817	0.000	0.000	0.000	0.000
225	A	233	GLY	0	-0.009	0.002	22.907	-0.880	-0.880	0.000	0.000	0.000	0.000
226	A	234	GLU	-1	-0.774	-0.859	19.511	56.607	56.607	0.000	0.000	0.000	0.000
227	A	235	VAL	0	0.014	0.006	19.538	0.484	0.484	0.000	0.000	0.000	0.000
228	A	236	LYS	1	0.866	0.956	16.384	-61.566	-61.566	0.000	0.000	0.000	0.000
229	A	237	GLY	0	0.026	-0.003	15.298	-2.989	-2.989	0.000	0.000	0.000	0.000
230	A	238	HIS	0	-0.022	-0.005	9.634	3.707	3.707	0.000	0.000	0.000	0.000
231	A	239	TYR	0	-0.014	-0.015	7.294	-8.259	-8.259	0.000	0.000	0.000	0.000
232	A	240	LEU	0	-0.015	0.003	10.129	3.866	3.866	0.000	0.000	0.000	0.000
233	A	241	ASN	0	0.012	0.002	8.423	-5.719	-5.719	0.000	0.000	0.000	0.000
234	A	242	ALA	0	-0.021	-0.011	11.410	-4.246	-4.246	0.000	0.000	0.000	0.000
235	A	243	THR	0	-0.005	0.001	10.249	-4.795	-4.795	0.000	0.000	0.000	0.000
236	A	244	ALA	0	-0.006	-0.004	13.244	-0.749	-0.749	0.000	0.000	0.000	0.000
237	A	245	GLY	0	0.040	0.016	16.321	0.843	0.843	0.000	0.000	0.000	0.000
238	A	246	THR	0	0.027	0.023	18.956	-0.558	-0.558	0.000	0.000	0.000	0.000
239	B	247	CYS	0	0.064	-0.006	20.253	1.359	1.359	0.000	0.000	0.000	0.000
240	A	248	GLU	-1	-0.820	-0.890	21.744	44.755	44.755	0.000	0.000	0.000	0.000
241	A	249	GLU	-1	-0.856	-0.921	19.901	48.621	48.621	0.000	0.000	0.000	0.000
242	A	250	MET	0	-0.016	0.014	16.422	1.236	1.236	0.000	0.000	0.000	0.000
243	A	251	MET	0	-0.011	-0.010	18.652	1.142	1.142	0.000	0.000	0.000	0.000
244	A	252	LYS	1	0.849	0.918	21.441	-45.646	-45.646	0.000	0.000	0.000	0.000
245	A	253	ARG	1	0.748	0.863	15.766	-59.563	-59.563	0.000	0.000	0.000	0.000
246	A	254	ALA	0	0.045	0.023	18.473	0.768	0.768	0.000	0.000	0.000	0.000
247	A	255	VAL	0	0.002	0.005	19.298	-0.525	-0.525	0.000	0.000	0.000	0.000
248	A	256	SMC	0	-0.068	-0.017	20.716	-0.277	-0.277	0.000	0.000	0.000	0.000
249	A	257	ALA	0	0.044	0.008	17.922	-0.592	-0.592	0.000	0.000	0.000	0.000
250	A	258	LYS	1	0.905	0.946	19.965	-43.207	-43.207	0.000	0.000	0.000	0.000
251	A	259	GLU	-1	-1.023	-1.015	22.828	40.240	40.240	0.000	0.000	0.000	0.000
252	A	260	LEU	0	-0.059	-0.019	20.567	-1.092	-1.092	0.000	0.000	0.000	0.000
253	A	261	GLY	0	0.019	0.026	23.623	-0.098	-0.098	0.000	0.000	0.000	0.000
254	A	262	VAL	0	-0.034	-0.014	18.096	0.594	0.594	0.000	0.000	0.000	0.000
255	A	263	PRO	0	0.030	0.012	16.981	-0.282	-0.282	0.000	0.000	0.000	0.000
256	A	264	ILE	0	-0.038	-0.014	12.497	-0.073	-0.073	0.000	0.000	0.000	0.000
257	A	265	ILE	0	0.008	0.013	13.301	0.142	0.142	0.000	0.000	0.000	0.000
258	A	266	MET	0	-0.053	-0.012	5.278	2.277	2.277	0.000	0.000	0.000	0.000
259	A	267	HIS	0	-0.026	-0.026	10.121	-6.537	-6.537	0.000	0.000	0.000	0.000
260	A	268	ASP	-1	-0.767	-0.899	7.701	111.206	111.206	0.000	0.000	0.000	0.000
261	A	269	TYR	0	-0.054	-0.035	7.500	-2.617	-2.617	0.000	0.000	0.000	0.000
262	A	270	LEU	0	-0.023	-0.001	7.929	-5.728	-5.728	0.000	0.000	0.000	0.000
263	A	271	THR	0	-0.043	-0.024	10.054	-4.140	-4.140	0.000	0.000	0.000	0.000
264	A	272	GLY	0	0.015	0.012	12.460	-4.536	-4.536	0.000	0.000	0.000	0.000
265	A	273	GLY	0	-0.005	-0.008	13.853	-4.842	-4.842	0.000	0.000	0.000	0.000
266	A	274	PHE	0	0.066	0.010	13.518	0.656	0.656	0.000	0.000	0.000	0.000
267	A	275	THR	0	0.005	0.031	16.777	-0.599	-0.599	0.000	0.000	0.000	0.000
268	A	276	ALA	0	0.023	-0.016	17.591	-1.334	-1.334	0.000	0.000	0.000	0.000
269	A	277	ASN	0	0.035	0.009	13.800	3.434	3.434	0.000	0.000	0.000	0.000
270	A	278	THR	0	0.002	0.008	16.562	0.383	0.383	0.000	0.000	0.000	0.000
271	A	279	SER	0	-0.006	-0.029	19.372	-1.305	-1.305	0.000	0.000	0.000	0.000
272	A	280	LEU	0	-0.004	0.003	15.061	-1.485	-1.485	0.000	0.000	0.000	0.000
273	A	281	ALA	0	0.031	0.013	17.443	-0.443	-0.443	0.000	0.000	0.000	0.000
274	A	282	ILE	0	0.006	0.003	19.140	-1.201	-1.201	0.000	0.000	0.000	0.000
275	A	283	TYR	0	0.050	0.024	20.816	-1.223	-1.223	0.000	0.000	0.000	0.000
276	A	284	CYS	0	-0.052	-0.022	17.998	-0.384	-0.384	0.000	0.000	0.000	0.000
277	A	285	ARG	1	0.852	0.917	20.660	-48.759	-48.759	0.000	0.000	0.000	0.000
278	A	286	ASP	-1	-0.939	-0.963	23.294	41.271	41.271	0.000	0.000	0.000	0.000
279	A	287	ASN	0	-0.120	-0.066	23.316	-2.954	-2.954	0.000	0.000	0.000	0.000
280	A	288	GLY	0	-0.028	0.004	23.263	-0.084	-0.084	0.000	0.000	0.000	0.000
281	A	289	LEU	0	-0.028	-0.013	17.996	0.562	0.562	0.000	0.000	0.000	0.000
282	A	290	LEU	0	-0.014	-0.009	15.665	0.126	0.126	0.000	0.000	0.000	0.000
283	A	291	LEU	0	0.011	-0.004	13.153	1.011	1.011	0.000	0.000	0.000	0.000
284	A	292	HIS	0	-0.005	-0.018	5.431	-7.516	-7.516	0.000	0.000	0.000	0.000
285	A	293	ILE	0	0.000	0.005	8.335	-0.676	-0.676	0.000	0.000	0.000	0.000
289	A	297	MET	0	0.010	-0.002	6.023	-12.862	-12.862	0.000	0.000	0.000	0.000
291	A	299	ALA	0	0.017	0.028	6.620	-8.224	-8.224	0.000	0.000	0.000	0.000
292	A	300	VAL	0	-0.045	-0.009	8.363	-7.788	-7.788	0.000	0.000	0.000	0.000
293	A	301	ILE	0	-0.021	-0.013	10.774	-6.539	-6.539	0.000	0.000	0.000	0.000
294	A	302	ASP	-1	-0.783	-0.888	8.219	108.808	108.808	0.000	0.000	0.000	0.000
295	A	303	ARG	1	0.791	0.903	9.189	-95.254	-95.254	0.000	0.000	0.000	0.000
296	A	304	GLN	0	-0.027	-0.023	11.174	-5.215	-5.215	0.000	0.000	0.000	0.000
297	A	305	ARG	1	0.856	0.932	14.943	-53.975	-53.975	0.000	0.000	0.000	0.000
298	A	306	ASN	0	-0.018	-0.023	17.055	0.335	0.335	0.000	0.000	0.000	0.000
299	A	307	HIS	0	-0.016	-0.023	18.159	-3.648	-3.648	0.000	0.000	0.000	0.000
300	A	308	GLY	0	0.048	0.041	15.871	3.038	3.038	0.000	0.000	0.000	0.000
301	A	309	ILE	0	-0.033	-0.029	14.181	-3.767	-3.767	0.000	0.000	0.000	0.000
302	A	310	HIS	0	0.026	0.020	11.995	4.766	4.766	0.000	0.000	0.000	0.000
303	A	311	PHE	0	0.079	0.023	6.915	1.759	1.759	0.000	0.000	0.000	0.000
304	A	312	ARG	1	0.894	0.938	10.495	-65.018	-65.018	0.000	0.000	0.000	0.000
305	A	313	VAL	0	-0.020	0.004	13.032	-2.524	-2.524	0.000	0.000	0.000	0.000
306	A	314	LEU	0	-0.006	-0.006	9.654	-1.957	-1.957	0.000	0.000	0.000	0.000
307	A	315	ALA	0	0.000	0.008	10.224	0.645	0.645	0.000	0.000	0.000	0.000
308	A	316	LYS	1	0.822	0.910	11.474	-58.033	-58.033	0.000	0.000	0.000	0.000
309	A	317	ALA	0	0.026	0.009	14.090	-2.660	-2.660	0.000	0.000	0.000	0.000
310	A	318	LEU	0	0.007	0.008	10.416	-2.360	-2.360	0.000	0.000	0.000	0.000
311	A	319	ARG	1	0.776	0.899	13.316	-60.904	-60.904	0.000	0.000	0.000	0.000
312	A	320	MET	0	-0.013	-0.005	15.568	-2.267	-2.267	0.000	0.000	0.000	0.000
313	A	321	SER	0	-0.061	-0.022	15.543	-0.956	-0.956	0.000	0.000	0.000	0.000
314	A	322	GLY	0	0.034	0.006	16.061	-2.481	-2.481	0.000	0.000	0.000	0.000
315	A	323	GLY	0	0.026	-0.016	13.282	2.658	2.658	0.000	0.000	0.000	0.000
316	A	324	ASP	-1	-0.732	-0.856	14.298	62.529	62.529	0.000	0.000	0.000	0.000
317	A	325	HIS	1	0.738	0.851	9.444	-88.857	-88.857	0.000	0.000	0.000	0.000
318	A	326	LEU	0	0.043	0.019	6.897	-1.332	-1.332	0.000	0.000	0.000	0.000
323	A	331	ALA	0	0.059	0.050	7.308	-11.169	-11.169	0.000	0.000	0.000	0.000
324	A	332	VAL	0	-0.037	-0.021	9.512	-3.849	-3.849	0.000	0.000	0.000	0.000
325	A	333	GLY	0	0.011	0.021	7.061	-3.291	-3.291	0.000	0.000	0.000	0.000
329	A	337	GLY	0	0.029	0.004	5.999	10.677	10.677	0.000	0.000	0.000	0.000
330	A	338	GLU	-1	-0.885	-0.941	8.121	70.392	70.392	0.000	0.000	0.000	0.000
331	A	339	ARG	1	0.948	0.961	11.507	-65.707	-65.707	0.000	0.000	0.000	0.000
332	A	340	GLU	-1	-0.854	-0.923	13.024	60.837	60.837	0.000	0.000	0.000	0.000
333	A	341	VAL	0	-0.027	-0.014	11.443	-1.461	-1.461	0.000	0.000	0.000	0.000
334	A	342	ILE	0	-0.058	-0.029	7.647	1.118	1.118	0.000	0.000	0.000	0.000
335	A	343	LEU	0	-0.015	-0.014	11.053	-0.223	-0.223	0.000	0.000	0.000	0.000
336	A	344	GLY	0	0.043	0.040	14.385	-2.772	-2.772	0.000	0.000	0.000	0.000
337	A	345	PHE	0	-0.012	-0.023	8.038	-1.662	-1.662	0.000	0.000	0.000	0.000
338	A	346	VAL	0	0.011	-0.001	10.758	1.627	1.627	0.000	0.000	0.000	0.000
339	A	347	ASP	-1	-0.860	-0.913	13.067	59.570	59.570	0.000	0.000	0.000	0.000
340	A	348	LEU	0	-0.091	-0.046	15.373	-2.021	-2.021	0.000	0.000	0.000	0.000
341	A	349	MET	0	-0.070	-0.012	9.426	1.254	1.254	0.000	0.000	0.000	0.000
342	A	350	ARG	1	0.819	0.904	14.030	-72.270	-72.270	0.000	0.000	0.000	0.000
343	A	351	ASP	-1	-0.863	-0.915	16.609	54.285	54.285	0.000	0.000	0.000	0.000
344	A	352	ASP	-1	-0.895	-0.951	20.078	45.562	45.562	0.000	0.000	0.000	0.000
345	A	353	TYR	0	-0.011	-0.010	23.193	-1.076	-1.076	0.000	0.000	0.000	0.000
346	A	354	VAL	0	0.011	0.017	19.514	0.545	0.545	0.000	0.000	0.000	0.000
347	A	355	GLU	-1	-0.910	-0.961	22.890	39.645	39.645	0.000	0.000	0.000	0.000
348	A	356	LYS	1	0.926	0.961	23.465	-39.170	-39.170	0.000	0.000	0.000	0.000
349	A	357	ASP	-1	-0.784	-0.876	21.711	48.793	48.793	0.000	0.000	0.000	0.000
350	A	358	ARG	1	0.862	0.923	21.294	-43.454	-43.454	0.000	0.000	0.000	0.000
351	A	359	SER	0	-0.102	-0.054	21.370	1.434	1.434	0.000	0.000	0.000	0.000
352	A	360	ARG	1	0.988	0.990	17.384	-56.825	-56.825	0.000	0.000	0.000	0.000
353	A	361	GLY	0	-0.064	-0.039	16.877	3.220	3.220	0.000	0.000	0.000	0.000
354	A	362	ILE	0	-0.024	0.008	18.206	1.101	1.101	0.000	0.000	0.000	0.000
355	A	363	TYR	0	-0.049	-0.049	19.364	-3.244	-3.244	0.000	0.000	0.000	0.000
356	A	364	PHE	0	-0.055	-0.032	22.395	-2.684	-2.684	0.000	0.000	0.000	0.000
357	A	365	THR	0	0.042	0.027	23.075	1.778	1.778	0.000	0.000	0.000	0.000
358	A	366	GLN	0	-0.056	-0.027	20.254	-0.073	-0.073	0.000	0.000	0.000	0.000
359	A	367	ASP	-1	-0.831	-0.920	23.437	41.891	41.891	0.000	0.000	0.000	0.000
360	A	368	TRP	0	-0.028	-0.030	17.662	-0.011	-0.011	0.000	0.000	0.000	0.000
361	A	369	SMC	0	-0.057	-0.021	23.533	-0.456	-0.456	0.000	0.000	0.000	0.000
362	A	370	SER	0	-0.019	-0.026	25.588	-1.363	-1.363	0.000	0.000	0.000	0.000
363	A	371	MET	0	-0.070	0.000	20.407	1.011	1.011	0.000	0.000	0.000	0.000
364	A	372	PRO	0	0.022	0.019	19.949	1.027	1.027	0.000	0.000	0.000	0.000
365	A	373	GLY	0	0.050	0.033	17.732	1.311	1.311	0.000	0.000	0.000	0.000
366	A	374	VAL	0	-0.034	-0.029	11.624	0.031	0.031	0.000	0.000	0.000	0.000
367	A	375	MET	0	0.006	0.001	11.592	0.663	0.663	0.000	0.000	0.000	0.000
368	A	376	PRO	0	0.007	0.010	8.961	6.181	6.181	0.000	0.000	0.000	0.000
369	A	377	VAL	0	-0.023	-0.011	5.212	-4.856	-4.856	0.000	0.000	0.000	0.000
375	A	383	HIS	0	0.002	-0.026	5.739	7.055	7.055	0.000	0.000	0.000	0.000
376	A	384	VAL	0	0.056	0.016	8.499	-4.463	-4.463	0.000	0.000	0.000	0.000
377	A	385	TRP	0	-0.081	-0.037	11.785	-6.853	-6.853	0.000	0.000	0.000	0.000
378	A	386	HIS	0	0.034	0.023	8.992	1.403	1.403	0.000	0.000	0.000	0.000
379	A	387	MET	0	-0.035	0.007	10.886	0.407	0.407	0.000	0.000	0.000	0.000
380	A	388	PRO	0	0.017	-0.001	13.384	-1.153	-1.153	0.000	0.000	0.000	0.000
381	A	389	ALA	0	0.024	0.016	14.690	-1.750	-1.750	0.000	0.000	0.000	0.000
382	A	390	LEU	0	-0.004	0.002	9.579	0.272	0.272	0.000	0.000	0.000	0.000
383	A	391	VAL	0	0.023	0.000	13.342	-0.508	-0.508	0.000	0.000	0.000	0.000
384	A	392	GLU	-1	-0.910	-0.959	16.156	58.924	58.924	0.000	0.000	0.000	0.000
385	A	393	ILE	0	-0.073	-0.023	12.123	-1.939	-1.939	0.000	0.000	0.000	0.000
386	A	394	PHE	0	-0.013	-0.008	8.567	-0.306	-0.306	0.000	0.000	0.000	0.000
387	A	395	GLY	0	0.029	0.034	14.019	-3.109	-3.109	0.000	0.000	0.000	0.000
388	A	396	ASP	-1	-0.826	-0.920	15.730	63.134	63.134	0.000	0.000	0.000	0.000
389	A	397	ASP	-1	-0.899	-0.942	15.804	63.641	63.641	0.000	0.000	0.000	0.000
390	A	398	ALA	0	0.042	0.007	10.690	2.256	2.256	0.000	0.000	0.000	0.000
391	A	399	CYS	0	-0.071	-0.013	9.436	-3.559	-3.559	0.000	0.000	0.000	0.000
392	A	400	LEU	0	0.004	0.001	8.633	9.977	9.977	0.000	0.000	0.000	0.000
398	A	406	THR	0	-0.057	-0.042	6.025	-20.854	-20.854	0.000	0.000	0.000	0.000
399	A	407	LEU	0	-0.021	-0.029	6.304	-12.696	-12.696	0.000	0.000	0.000	0.000
400	A	408	GLY	0	0.038	0.016	7.286	-6.830	-6.830	0.000	0.000	0.000	0.000
401	A	409	HIS	0	-0.026	-0.004	8.492	-6.395	-6.395	0.000	0.000	0.000	0.000
402	A	410	PRO	0	0.007	-0.008	11.486	-2.198	-2.198	0.000	0.000	0.000	0.000
403	A	411	TRP	0	-0.049	-0.052	14.708	-3.896	-3.896	0.000	0.000	0.000	0.000
404	A	412	GLY	0	0.036	0.033	13.542	-3.102	-3.102	0.000	0.000	0.000	0.000
405	A	413	ASN	0	0.031	0.008	11.105	3.420	3.420	0.000	0.000	0.000	0.000
406	A	414	ALA	0	0.051	0.047	12.674	2.172	2.172	0.000	0.000	0.000	0.000
407	A	415	PRO	0	-0.022	-0.030	15.395	-0.205	-0.205	0.000	0.000	0.000	0.000
408	A	416	GLY	0	0.042	0.016	11.534	-0.080	-0.080	0.000	0.000	0.000	0.000
409	A	417	ALA	0	-0.011	0.002	11.332	3.486	3.486	0.000	0.000	0.000	0.000
410	A	418	ALA	0	0.014	0.019	12.275	-0.149	-0.149	0.000	0.000	0.000	0.000
411	A	419	ALA	0	-0.043	-0.015	13.078	-1.784	-1.784	0.000	0.000	0.000	0.000
412	A	420	ASN	0	0.018	-0.004	8.520	-2.282	-2.282	0.000	0.000	0.000	0.000
413	A	421	ARG	1	0.760	0.856	12.052	-62.629	-62.629	0.000	0.000	0.000	0.000
414	A	422	VAL	0	-0.036	-0.016	14.790	-2.730	-2.730	0.000	0.000	0.000	0.000
415	A	423	ALA	0	-0.009	-0.005	13.855	-2.254	-2.254	0.000	0.000	0.000	0.000
416	A	424	LEU	0	0.026	0.010	13.795	-1.724	-1.724	0.000	0.000	0.000	0.000
417	A	425	GLU	-1	-0.749	-0.875	15.653	53.591	53.591	0.000	0.000	0.000	0.000
418	A	426	ALA	0	-0.010	-0.003	18.984	-2.811	-2.811	0.000	0.000	0.000	0.000
419	A	427	CYS	0	-0.045	-0.024	17.487	-1.863	-1.863	0.000	0.000	0.000	0.000
420	A	428	THR	0	0.022	0.009	18.513	-1.157	-1.157	0.000	0.000	0.000	0.000
421	A	429	GLN	0	-0.024	-0.010	20.866	-3.306	-3.306	0.000	0.000	0.000	0.000
422	A	430	ALA	0	-0.015	-0.008	22.896	-1.712	-1.712	0.000	0.000	0.000	0.000
423	A	431	ARG	1	0.837	0.903	19.881	-57.738	-57.738	0.000	0.000	0.000	0.000
424	A	432	ASN	0	-0.028	-0.023	24.245	0.008	0.008	0.000	0.000	0.000	0.000
425	A	433	GLU	-1	-0.958	-0.976	26.701	41.509	41.509	0.000	0.000	0.000	0.000
426	A	434	GLY	0	-0.012	0.005	28.018	-1.586	-1.586	0.000	0.000	0.000	0.000
427	A	435	ARG	1	0.836	0.927	25.809	-45.831	-45.831	0.000	0.000	0.000	0.000
428	A	436	ASP	-1	-0.863	-0.926	24.899	50.956	50.956	0.000	0.000	0.000	0.000
429	A	437	LEU	0	-0.028	-0.029	19.480	0.335	0.335	0.000	0.000	0.000	0.000
430	A	438	ALA	0	0.034	0.033	21.279	1.956	1.956	0.000	0.000	0.000	0.000
431	A	439	ARG	1	0.905	0.962	22.357	-43.512	-43.512	0.000	0.000	0.000	0.000
432	A	440	GLU	-1	-0.869	-0.962	24.701	43.834	43.834	0.000	0.000	0.000	0.000
433	A	441	GLY	0	0.072	0.040	20.263	-0.008	-0.008	0.000	0.000	0.000	0.000
434	A	442	GLY	0	-0.001	-0.016	20.135	1.185	1.185	0.000	0.000	0.000	0.000
435	A	443	ASP	-1	-0.865	-0.931	21.124	46.259	46.259	0.000	0.000	0.000	0.000
436	A	444	VAL	0	-0.027	-0.004	20.718	-1.254	-1.254	0.000	0.000	0.000	0.000
437	A	445	ILE	0	0.031	0.016	16.377	-0.644	-0.644	0.000	0.000	0.000	0.000
438	A	446	ARG	1	0.911	0.930	19.755	-52.060	-52.060	0.000	0.000	0.000	0.000
439	A	447	SER	0	-0.053	-0.031	22.475	-2.166	-2.166	0.000	0.000	0.000	0.000
440	A	448	ALA	0	0.025	0.014	20.298	-1.465	-1.465	0.000	0.000	0.000	0.000
441	A	449	CYS	0	-0.030	-0.014	19.853	0.252	0.252	0.000	0.000	0.000	0.000
442	A	450	LYS	1	0.852	0.940	21.803	-45.756	-45.756	0.000	0.000	0.000	0.000
443	A	451	TRP	0	0.025	0.022	21.463	-1.408	-1.408	0.000	0.000	0.000	0.000
444	A	452	SER	0	-0.005	0.015	19.703	0.699	0.699	0.000	0.000	0.000	0.000
445	A	453	PRO	0	0.030	0.003	20.770	1.565	1.565	0.000	0.000	0.000	0.000
446	A	454	GLU	-1	-0.798	-0.890	16.727	54.565	54.565	0.000	0.000	0.000	0.000
447	A	455	LEU	0	0.038	0.015	15.372	3.548	3.548	0.000	0.000	0.000	0.000
448	A	456	ALA	0	-0.001	-0.008	16.773	2.113	2.113	0.000	0.000	0.000	0.000
449	A	457	ALA	0	-0.023	-0.012	17.217	0.496	0.496	0.000	0.000	0.000	0.000
450	A	458	ALA	0	0.017	0.008	12.586	1.711	1.711	0.000	0.000	0.000	0.000
451	A	459	CYS	0	-0.085	-0.044	13.985	3.256	3.256	0.000	0.000	0.000	0.000
452	A	460	GLU	-1	-0.952	-0.975	16.157	54.696	54.696	0.000	0.000	0.000	0.000
453	A	461	VAL	0	-0.020	0.004	12.192	-0.334	-0.334	0.000	0.000	0.000	0.000
454	A	462	TRP	0	-0.023	-0.024	8.500	1.600	1.600	0.000	0.000	0.000	0.000
455	A	463	LYS	1	0.926	0.974	13.039	-52.226	-52.226	0.000	0.000	0.000	0.000
456	A	464	GLU	-1	-0.927	-0.968	15.975	58.351	58.351	0.000	0.000	0.000	0.000
457	A	465	ILE	0	-0.072	-0.013	9.474	0.766	0.766	0.000	0.000	0.000	0.000
458	A	466	LYS	1	0.955	0.975	12.059	-66.469	-66.469	0.000	0.000	0.000	0.000
459	A	467	PHE	0	-0.003	0.001	7.190	1.688	1.688	0.000	0.000	0.000	0.000
460	A	468	GLU	-1	-0.946	-0.975	11.674	71.729	71.729	0.000	0.000	0.000	0.000
461	A	469	PHE	0	0.037	0.007	12.284	-2.135	-2.135	0.000	0.000	0.000	0.000
462	A	470	ASP	-1	-0.828	-0.907	14.812	61.728	61.728	0.000	0.000	0.000	0.000
463	A	471	THR	0	-0.031	-0.003	12.091	3.173	3.173	0.000	0.000	0.000	0.000
464	A	472	ILE	0	-0.009	-0.004	12.760	-5.447	-5.447	0.000	0.000	0.000	0.000
465	A	473	ASP	-1	-0.826	-0.897	11.409	73.763	73.763	0.000	0.000	0.000	0.000
466	A	474	LYS	1	0.805	0.892	13.419	-60.152	-60.152	0.000	0.000	0.000	0.000
467	A	475	LEU	0	0.035	0.027	16.270	-3.505	-3.505	0.000	0.000	0.000	0.000
468	B	9	ALA	0	-0.021	-0.022	26.008	-0.336	-0.336	0.000	0.000	0.000	0.000
469	B	10	GLY	0	0.029	0.019	25.068	-0.225	-0.225	0.000	0.000	0.000	0.000
470	B	11	ALA	0	-0.009	-0.005	20.021	0.446	0.446	0.000	0.000	0.000	0.000
471	B	12	GLY	0	0.032	0.015	19.601	-0.129	-0.129	0.000	0.000	0.000	0.000
472	B	13	PHE	0	-0.057	-0.015	11.522	0.392	0.392	0.000	0.000	0.000	0.000
473	B	14	LYS	1	0.939	0.967	15.214	-61.830	-61.830	0.000	0.000	0.000	0.000
474	B	15	ALA	0	0.020	0.016	12.278	3.045	3.045	0.000	0.000	0.000	0.000
475	B	16	GLY	0	0.047	0.016	11.153	-4.557	-4.557	0.000	0.000	0.000	0.000
476	B	17	VAL	0	-0.002	0.001	9.178	2.891	2.891	0.000	0.000	0.000	0.000
477	B	18	LYS	1	0.890	0.956	11.443	-79.254	-79.254	0.000	0.000	0.000	0.000
478	B	19	ASP	-1	-0.868	-0.925	12.366	72.221	72.221	0.000	0.000	0.000	0.000
479	B	20	TYR	0	-0.036	-0.048	6.736	-3.876	-3.876	0.000	0.000	0.000	0.000
480	B	21	ARG	1	0.944	0.954	13.317	-59.194	-59.194	0.000	0.000	0.000	0.000
481	B	22	LEU	0	-0.059	-0.022	16.244	-3.368	-3.368	0.000	0.000	0.000	0.000
482	B	23	THR	0	-0.064	-0.027	13.860	-3.695	-3.695	0.000	0.000	0.000	0.000
483	B	24	TYR	0	0.003	-0.017	11.099	0.841	0.841	0.000	0.000	0.000	0.000
484	B	25	TYR	0	0.019	0.029	16.124	-0.473	-0.473	0.000	0.000	0.000	0.000
485	B	26	THR	0	-0.069	-0.050	19.417	-0.759	-0.759	0.000	0.000	0.000	0.000
486	B	27	PRO	0	0.021	0.017	22.202	-0.291	-0.291	0.000	0.000	0.000	0.000
487	B	28	ASP	-1	-0.883	-0.929	25.344	41.256	41.256	0.000	0.000	0.000	0.000
488	B	29	TYR	0	-0.157	-0.094	23.594	-0.804	-0.804	0.000	0.000	0.000	0.000
489	B	30	VAL	0	0.008	0.008	26.007	-0.457	-0.457	0.000	0.000	0.000	0.000
490	B	31	VAL	0	-0.031	-0.013	25.192	0.552	0.552	0.000	0.000	0.000	0.000
491	B	32	ARG	1	0.957	0.978	25.039	-46.225	-46.225	0.000	0.000	0.000	0.000
492	B	33	ASP	-1	-0.871	-0.941	26.740	40.117	40.117	0.000	0.000	0.000	0.000
493	B	34	THR	0	-0.050	-0.041	24.765	-0.542	-0.542	0.000	0.000	0.000	0.000
494	B	35	ASP	-1	-0.818	-0.888	22.532	52.415	52.415	0.000	0.000	0.000	0.000
495	B	36	ILE	0	0.011	0.009	18.551	-2.005	-2.005	0.000	0.000	0.000	0.000
496	B	37	LEU	0	-0.051	-0.012	20.208	1.825	1.825	0.000	0.000	0.000	0.000
497	B	38	ALA	0	0.031	0.025	17.387	-0.403	-0.403	0.000	0.000	0.000	0.000
498	B	39	ALA	0	0.008	0.014	19.283	-0.310	-0.310	0.000	0.000	0.000	0.000
499	B	40	PHE	0	0.008	-0.008	13.559	0.615	0.615	0.000	0.000	0.000	0.000
500	B	41	ARG	1	0.846	0.930	18.526	-51.133	-51.133	0.000	0.000	0.000	0.000
501	B	42	MET	0	0.012	0.006	16.784	3.910	3.910	0.000	0.000	0.000	0.000
502	B	43	THR	0	0.012	0.004	17.467	-4.381	-4.381	0.000	0.000	0.000	0.000
503	B	44	PRO	0	0.028	0.022	17.103	4.317	4.317	0.000	0.000	0.000	0.000
504	B	45	GLN	0	-0.031	-0.014	13.668	-7.960	-7.960	0.000	0.000	0.000	0.000
505	B	46	PRO	0	0.021	-0.002	17.932	-1.247	-1.247	0.000	0.000	0.000	0.000
506	B	47	GLY	0	-0.007	-0.001	20.434	1.540	1.540	0.000	0.000	0.000	0.000
507	B	48	VAL	0	-0.035	-0.003	15.985	1.177	1.177	0.000	0.000	0.000	0.000
508	B	49	PRO	0	-0.017	-0.008	18.620	-1.396	-1.396	0.000	0.000	0.000	0.000
509	B	50	PRO	0	0.084	0.034	19.239	3.555	3.555	0.000	0.000	0.000	0.000
510	B	51	GLU	-1	-0.889	-0.955	19.683	54.626	54.626	0.000	0.000	0.000	0.000
511	B	52	GLU	-1	-0.772	-0.893	13.833	79.355	79.355	0.000	0.000	0.000	0.000
512	B	53	CYS	0	-0.020	0.004	14.988	5.920	5.920	0.000	0.000	0.000	0.000
513	B	54	GLY	0	0.037	0.008	14.782	4.057	4.057	0.000	0.000	0.000	0.000
514	B	55	ALA	0	-0.022	-0.012	15.523	2.003	2.003	0.000	0.000	0.000	0.000
515	B	56	ALA	0	0.017	0.014	11.091	3.846	3.846	0.000	0.000	0.000	0.000
516	B	57	VAL	0	0.013	0.011	10.746	8.003	8.003	0.000	0.000	0.000	0.000
517	B	58	ALA	0	0.015	0.013	11.565	3.446	3.446	0.000	0.000	0.000	0.000
518	B	59	ALA	0	-0.003	0.011	10.023	1.023	1.023	0.000	0.000	0.000	0.000
519	B	60	GLU	-1	-0.766	-0.883	5.478	180.290	180.290	0.000	0.000	0.000	0.000
520	B	61	SER	0	-0.027	0.020	7.323	4.982	4.982	0.000	0.000	0.000	0.000
521	B	62	SER	0	-0.032	-0.039	9.928	-6.620	-6.620	0.000	0.000	0.000	0.000
522	B	63	THR	0	-0.029	-0.019	9.830	-0.670	-0.670	0.000	0.000	0.000	0.000
523	B	64	GLY	0	-0.012	0.000	7.989	1.280	1.280	0.000	0.000	0.000	0.000
526	B	67	THR	0	0.005	0.007	5.215	-21.842	-21.842	0.000	0.000	0.000	0.000
527	B	68	THR	0	-0.048	-0.018	6.705	4.383	4.383	0.000	0.000	0.000	0.000
528	B	69	VAL	0	0.029	0.011	5.739	0.767	0.767	0.000	0.000	0.000	0.000
529	B	70	TRP	0	-0.040	-0.031	8.905	-8.660	-8.660	0.000	0.000	0.000	0.000
530	B	71	THR	0	-0.048	-0.073	9.599	-5.441	-5.441	0.000	0.000	0.000	0.000
531	B	72	ASP	-1	-0.844	-0.931	10.579	86.337	86.337	0.000	0.000	0.000	0.000
532	B	73	GLY	0	-0.052	-0.024	12.928	-3.600	-3.600	0.000	0.000	0.000	0.000
533	B	74	LEU	0	-0.096	-0.038	15.215	-3.758	-3.758	0.000	0.000	0.000	0.000
534	B	75	THR	0	-0.046	-0.024	14.296	-3.364	-3.364	0.000	0.000	0.000	0.000
535	B	76	SER	0	-0.006	0.001	17.327	-1.242	-1.242	0.000	0.000	0.000	0.000
536	B	77	LEU	0	0.071	0.014	11.978	-0.660	-0.660	0.000	0.000	0.000	0.000
537	B	78	ASP	-1	-0.930	-0.957	16.088	55.652	55.652	0.000	0.000	0.000	0.000
538	B	79	ARG	1	0.881	0.957	19.363	-52.344	-52.344	0.000	0.000	0.000	0.000
539	B	80	TYR	0	-0.012	-0.014	15.069	-0.981	-0.981	0.000	0.000	0.000	0.000
540	B	81	LYS	1	0.871	0.959	14.484	-59.846	-59.846	0.000	0.000	0.000	0.000
541	B	82	GLY	0	0.056	0.024	14.397	-3.859	-3.859	0.000	0.000	0.000	0.000
542	B	83	ARG	1	0.838	0.912	15.954	-54.679	-54.679	0.000	0.000	0.000	0.000
543	B	84	CYS	0	0.017	0.010	17.791	-1.386	-1.386	0.000	0.000	0.000	0.000
544	B	85	TYR	0	-0.019	-0.021	19.460	-0.508	-0.508	0.000	0.000	0.000	0.000
545	B	86	ASP	-1	-0.860	-0.934	22.741	43.137	43.137	0.000	0.000	0.000	0.000
546	B	87	ILE	0	-0.056	-0.027	20.909	2.888	2.888	0.000	0.000	0.000	0.000
547	B	88	GLU	-1	-0.819	-0.890	24.299	41.712	41.712	0.000	0.000	0.000	0.000
548	B	89	PRO	0	0.007	0.004	25.697	1.848	1.848	0.000	0.000	0.000	0.000
549	B	90	VAL	0	-0.009	-0.001	24.941	-0.840	-0.840	0.000	0.000	0.000	0.000
550	B	91	PRO	0	-0.023	-0.012	28.123	-0.461	-0.461	0.000	0.000	0.000	0.000
551	B	92	GLY	0	-0.013	-0.019	30.862	0.064	0.064	0.000	0.000	0.000	0.000
552	B	93	GLU	-1	-0.898	-0.946	26.280	44.674	44.674	0.000	0.000	0.000	0.000
553	B	94	ASP	-1	-0.917	-0.950	27.588	41.483	41.483	0.000	0.000	0.000	0.000
554	B	95	ASN	0	-0.091	-0.063	20.864	0.491	0.491	0.000	0.000	0.000	0.000
555	B	96	GLN	0	0.059	0.023	21.975	1.692	1.692	0.000	0.000	0.000	0.000
556	B	97	TYR	0	0.013	0.000	21.852	-2.440	-2.440	0.000	0.000	0.000	0.000
557	B	98	ILE	0	-0.031	-0.010	21.782	2.383	2.383	0.000	0.000	0.000	0.000
558	B	99	ALA	0	0.004	0.003	18.616	-1.131	-1.131	0.000	0.000	0.000	0.000
559	B	100	TYR	0	-0.036	-0.020	19.939	1.393	1.393	0.000	0.000	0.000	0.000
560	B	101	VAL	0	0.007	-0.003	15.740	0.739	0.739	0.000	0.000	0.000	0.000
561	B	102	ALA	0	-0.019	-0.001	19.075	-1.653	-1.653	0.000	0.000	0.000	0.000
562	B	103	TYR	0	-0.018	-0.053	13.277	1.089	1.089	0.000	0.000	0.000	0.000
563	B	104	HYP	0	0.001	0.005	17.234	-3.123	-3.123	0.000	0.000	0.000	0.000
564	B	105	ILE	0	0.054	0.019	18.484	2.365	2.365	0.000	0.000	0.000	0.000
565	B	106	ASP	-1	-0.899	-0.962	18.584	53.726	53.726	0.000	0.000	0.000	0.000
566	B	107	LEU	0	-0.078	-0.045	13.584	1.913	1.913	0.000	0.000	0.000	0.000
567	B	108	PHE	0	-0.024	0.003	14.531	4.330	4.330	0.000	0.000	0.000	0.000
568	B	109	GLU	-1	-0.781	-0.876	16.157	58.483	58.483	0.000	0.000	0.000	0.000
569	B	110	GLU	-1	-0.796	-0.890	17.830	51.722	51.722	0.000	0.000	0.000	0.000
570	B	111	GLY	0	0.041	0.029	21.271	0.159	0.159	0.000	0.000	0.000	0.000
571	B	112	SER	0	-0.023	-0.009	16.222	0.177	0.177	0.000	0.000	0.000	0.000
572	B	113	VAL	0	0.027	0.014	17.495	2.019	2.019	0.000	0.000	0.000	0.000
573	B	114	THR	0	0.009	0.000	13.528	1.962	1.962	0.000	0.000	0.000	0.000
574	B	115	ASN	0	0.001	-0.001	12.235	2.169	2.169	0.000	0.000	0.000	0.000
575	B	116	MET	0	-0.015	0.007	12.768	3.376	3.376	0.000	0.000	0.000	0.000
576	B	117	PHE	0	-0.004	-0.020	12.675	1.996	1.996	0.000	0.000	0.000	0.000
577	B	118	THR	0	0.003	0.020	7.951	3.325	3.325	0.000	0.000	0.000	0.000
578	B	119	SER	0	0.007	0.006	8.218	11.812	11.812	0.000	0.000	0.000	0.000
579	B	120	ILE	0	-0.039	-0.004	9.625	5.220	5.220	0.000	0.000	0.000	0.000
580	B	121	VAL	0	-0.012	-0.027	10.408	0.260	0.260	0.000	0.000	0.000	0.000
581	B	122	GLY	0	0.009	0.029	6.627	2.925	2.925	0.000	0.000	0.000	0.000
584	B	125	PHE	0	0.030	0.018	8.260	-2.863	-2.863	0.000	0.000	0.000	0.000
585	B	126	GLY	0	0.032	0.011	5.900	-6.801	-6.801	0.000	0.000	0.000	0.000
586	B	127	PHE	0	-0.017	0.002	5.207	4.084	4.084	0.000	0.000	0.000	0.000
587	B	128	LYS	1	0.833	0.907	8.300	-120.355	-120.355	0.000	0.000	0.000	0.000
588	B	129	ALA	0	-0.008	0.009	10.296	-7.606	-7.606	0.000	0.000	0.000	0.000
589	B	130	LEU	0	-0.035	-0.018	11.302	-6.638	-6.638	0.000	0.000	0.000	0.000
590	B	131	ARG	1	0.835	0.905	12.892	-58.818	-58.818	0.000	0.000	0.000	0.000
591	B	132	ALA	0	0.008	0.003	14.616	-0.044	-0.044	0.000	0.000	0.000	0.000
592	B	133	LEU	0	-0.026	-0.009	12.225	-0.515	-0.515	0.000	0.000	0.000	0.000
593	B	134	ARG	1	0.834	0.911	15.311	-50.980	-50.980	0.000	0.000	0.000	0.000
594	B	135	LEU	0	-0.032	0.006	15.380	-1.593	-1.593	0.000	0.000	0.000	0.000
595	B	136	GLU	-1	-0.791	-0.896	17.590	48.827	48.827	0.000	0.000	0.000	0.000
596	B	137	ASP	-1	-0.789	-0.909	20.907	44.353	44.353	0.000	0.000	0.000	0.000
597	B	138	LEU	0	-0.005	-0.015	17.240	2.708	2.708	0.000	0.000	0.000	0.000
598	B	139	ARG	1	0.866	0.959	21.441	-47.621	-47.621	0.000	0.000	0.000	0.000
599	B	140	ILE	0	0.008	-0.012	21.112	1.799	1.799	0.000	0.000	0.000	0.000
600	B	141	PRO	0	0.010	0.030	23.368	-2.118	-2.118	0.000	0.000	0.000	0.000
601	B	142	PRO	0	0.131	0.045	26.551	0.772	0.772	0.000	0.000	0.000	0.000
602	B	143	ALA	0	-0.033	-0.020	26.846	-0.097	-0.097	0.000	0.000	0.000	0.000
603	B	144	TYR	0	0.014	-0.013	18.815	0.571	0.571	0.000	0.000	0.000	0.000
604	B	145	VAL	0	0.049	0.044	24.612	0.592	0.592	0.000	0.000	0.000	0.000
605	B	146	LYS	1	0.913	0.950	26.693	-36.532	-36.532	0.000	0.000	0.000	0.000
606	B	147	THR	0	-0.102	-0.059	23.841	-0.102	-0.102	0.000	0.000	0.000	0.000
607	B	148	PHE	0	-0.016	-0.008	20.603	0.768	0.768	0.000	0.000	0.000	0.000
608	B	149	VAL	0	-0.017	0.000	26.224	-1.254	-1.254	0.000	0.000	0.000	0.000
609	B	150	GLY	0	0.020	0.019	27.649	-1.324	-1.324	0.000	0.000	0.000	0.000
610	B	151	HYP	0	-0.054	-0.048	28.766	0.072	0.072	0.000	0.000	0.000	0.000
611	B	152	PRO	0	-0.018	0.008	30.453	-0.623	-0.623	0.000	0.000	0.000	0.000
612	B	153	HIS	0	-0.046	-0.025	33.287	-1.567	-1.567	0.000	0.000	0.000	0.000
613	B	154	GLY	0	0.036	0.016	35.128	-0.273	-0.273	0.000	0.000	0.000	0.000
614	B	155	ILE	0	-0.022	-0.014	35.951	-0.855	-0.855	0.000	0.000	0.000	0.000
615	B	156	GLN	0	-0.041	-0.015	38.536	-0.191	-0.191	0.000	0.000	0.000	0.000
616	B	157	VAL	0	0.055	0.027	39.396	-0.622	-0.622	0.000	0.000	0.000	0.000
617	B	158	GLU	-1	-0.809	-0.876	37.809	30.841	30.841	0.000	0.000	0.000	0.000
618	B	159	ARG	1	0.819	0.882	40.821	-28.171	-28.171	0.000	0.000	0.000	0.000
619	B	160	ASP	-1	-0.813	-0.892	43.947	25.893	25.893	0.000	0.000	0.000	0.000
620	B	161	LYS	1	0.810	0.920	40.335	-29.874	-29.874	0.000	0.000	0.000	0.000
621	B	162	LEU	0	-0.028	-0.015	41.448	-0.510	-0.510	0.000	0.000	0.000	0.000
622	B	163	ASN	0	-0.027	-0.010	45.721	-0.453	-0.453	0.000	0.000	0.000	0.000
623	B	164	LYS	1	0.745	0.877	45.073	-26.095	-26.095	0.000	0.000	0.000	0.000
624	B	165	TYR	0	-0.021	-0.032	46.577	0.469	0.469	0.000	0.000	0.000	0.000
625	B	166	GLY	0	0.025	0.025	48.162	-0.446	-0.446	0.000	0.000	0.000	0.000
626	B	167	ARG	1	0.777	0.868	46.296	-25.686	-25.686	0.000	0.000	0.000	0.000
627	B	168	GLY	0	0.045	0.040	43.294	0.398	0.398	0.000	0.000	0.000	0.000
628	B	169	LEU	0	-0.010	-0.007	40.343	-0.605	-0.605	0.000	0.000	0.000	0.000
629	B	170	LEU	0	0.005	0.012	41.980	0.396	0.396	0.000	0.000	0.000	0.000
630	B	171	GLY	0	0.044	-0.004	39.605	-0.110	-0.110	0.000	0.000	0.000	0.000
631	B	172	CYS	0	-0.040	-0.009	39.455	-0.340	-0.340	0.000	0.000	0.000	0.000
632	B	173	THR	0	0.131	0.048	34.390	-0.128	-0.128	0.000	0.000	0.000	0.000
633	B	174	ILE	0	0.003	-0.005	37.493	-0.723	-0.723	0.000	0.000	0.000	0.000
634	B	175	LYS	1	0.826	0.913	34.615	-32.132	-32.132	0.000	0.000	0.000	0.000
635	B	176	PRO	0	0.050	0.039	38.077	-0.830	-0.830	0.000	0.000	0.000	0.000
636	B	177	LYS	1	0.781	0.902	30.443	-36.505	-36.505	0.000	0.000	0.000	0.000
637	B	178	LEU	0	-0.024	-0.009	30.523	0.090	0.090	0.000	0.000	0.000	0.000
638	B	179	GLY	0	0.059	0.023	35.179	-0.556	-0.556	0.000	0.000	0.000	0.000
639	B	180	LEU	0	-0.055	-0.008	38.190	-0.970	-0.970	0.000	0.000	0.000	0.000
640	B	181	SER	0	0.067	0.028	39.518	0.444	0.444	0.000	0.000	0.000	0.000
641	B	182	ALA	0	0.075	0.025	41.025	-0.100	-0.100	0.000	0.000	0.000	0.000
642	B	183	LYS	1	0.946	0.982	41.991	-23.737	-23.737	0.000	0.000	0.000	0.000
643	B	184	ASN	0	-0.004	-0.020	44.267	-0.907	-0.907	0.000	0.000	0.000	0.000
644	B	185	TYR	0	0.092	0.048	36.274	-0.183	-0.183	0.000	0.000	0.000	0.000
645	B	186	GLY	0	0.038	0.024	42.475	-0.021	-0.021	0.000	0.000	0.000	0.000
646	B	187	ARG	1	0.909	0.952	44.782	-24.238	-24.238	0.000	0.000	0.000	0.000
647	B	188	ALA	0	-0.002	0.001	43.717	-0.399	-0.399	0.000	0.000	0.000	0.000
648	B	189	VAL	0	0.068	0.031	41.749	-0.203	-0.203	0.000	0.000	0.000	0.000
649	B	190	TYR	0	-0.067	-0.061	44.523	-0.314	-0.314	0.000	0.000	0.000	0.000
650	B	191	GLU	-1	-0.905	-0.959	48.123	22.628	22.628	0.000	0.000	0.000	0.000
651	B	192	CYS	0	-0.051	-0.027	43.471	-0.329	-0.329	0.000	0.000	0.000	0.000
652	B	193	LEU	0	0.021	0.015	43.715	-0.297	-0.297	0.000	0.000	0.000	0.000
653	B	194	ARG	1	0.743	0.836	47.398	-22.467	-22.467	0.000	0.000	0.000	0.000
654	B	195	GLY	0	-0.033	-0.013	50.170	-0.449	-0.449	0.000	0.000	0.000	0.000
655	B	196	GLY	0	0.013	0.008	50.018	-0.228	-0.228	0.000	0.000	0.000	0.000
656	B	197	LEU	0	-0.033	-0.008	43.771	0.114	0.114	0.000	0.000	0.000	0.000
657	B	198	ASP	-1	-0.754	-0.836	43.556	25.860	25.860	0.000	0.000	0.000	0.000
658	B	199	PHE	0	0.015	-0.007	39.715	0.066	0.066	0.000	0.000	0.000	0.000
659	B	200	THR	0	-0.040	-0.047	40.350	-0.580	-0.580	0.000	0.000	0.000	0.000
660	B	201	KCX	-1	-0.545	-0.816	32.179	36.242	36.242	0.000	0.000	0.000	0.000
661	B	202	ASP	-1	-0.712	-0.843	33.500	32.127	32.127	0.000	0.000	0.000	0.000
662	B	203	ASP	0	0.204	0.046	32.865	0.392	0.392	0.000	0.000	0.000	0.000
663	B	204	GLU	0	0.161	-0.027	27.251	-0.041	-0.041	0.000	0.000	0.000	0.000
664	B	476	merge:B:AS	-1	-1.610	-0.935	27.117	35.632	35.632	0.000	0.000	0.000	0.000
665	B	205	ASN	0	0.003	-0.005	27.629	-0.106	-0.106	0.000	0.000	0.000	0.000
666	B	206	VAL	0	-0.046	-0.001	28.690	-0.213	-0.213	0.000	0.000	0.000	0.000
667	B	207	ASN	0	-0.017	-0.002	26.898	1.511	1.511	0.000	0.000	0.000	0.000
668	B	208	SER	0	0.020	0.001	30.487	-1.856	-1.856	0.000	0.000	0.000	0.000
669	B	209	GLN	0	0.021	-0.005	30.204	0.365	0.365	0.000	0.000	0.000	0.000
670	B	210	PRO	0	-0.001	0.001	32.773	-1.060	-1.060	0.000	0.000	0.000	0.000
671	B	211	PHE	0	-0.035	-0.004	33.549	-0.985	-0.985	0.000	0.000	0.000	0.000
672	B	212	MET	0	-0.090	-0.029	36.187	-1.272	-1.272	0.000	0.000	0.000	0.000
673	B	213	ARG	1	0.850	0.933	32.799	-32.582	-32.582	0.000	0.000	0.000	0.000
674	B	214	TRP	0	0.050	0.005	33.526	-0.954	-0.954	0.000	0.000	0.000	0.000
675	B	215	ARG	1	0.979	0.997	35.869	-29.018	-29.018	0.000	0.000	0.000	0.000
676	B	216	ASP	-1	-0.879	-0.943	38.723	27.696	27.696	0.000	0.000	0.000	0.000
677	B	217	ARG	1	0.769	0.861	33.473	-33.796	-33.796	0.000	0.000	0.000	0.000
678	B	218	PHE	0	0.000	-0.011	34.062	-0.663	-0.663	0.000	0.000	0.000	0.000
679	B	219	LEU	0	0.018	0.009	40.016	-0.468	-0.468	0.000	0.000	0.000	0.000
680	B	220	PHE	0	0.009	-0.001	43.565	-0.671	-0.671	0.000	0.000	0.000	0.000
681	B	221	VAL	0	-0.003	-0.008	40.256	-0.530	-0.530	0.000	0.000	0.000	0.000
682	B	222	ALA	0	0.021	0.025	43.286	-0.297	-0.297	0.000	0.000	0.000	0.000
683	B	223	GLU	-1	-0.968	-0.978	44.884	23.227	23.227	0.000	0.000	0.000	0.000
684	B	224	ALA	0	-0.039	-0.025	45.583	-0.529	-0.529	0.000	0.000	0.000	0.000
685	B	225	ILE	0	0.007	-0.002	41.976	-0.382	-0.382	0.000	0.000	0.000	0.000
686	B	226	TYR	0	-0.038	-0.036	45.979	-0.444	-0.444	0.000	0.000	0.000	0.000
687	B	227	LYS	1	0.912	0.974	49.678	-22.604	-22.604	0.000	0.000	0.000	0.000
688	B	228	ALA	0	0.031	0.008	48.906	-0.466	-0.466	0.000	0.000	0.000	0.000
689	B	229	GLN	0	0.016	0.022	48.509	0.181	0.181	0.000	0.000	0.000	0.000
690	B	230	ALA	0	-0.029	-0.010	51.231	-0.359	-0.359	0.000	0.000	0.000	0.000
691	B	231	GLU	-1	-0.841	-0.900	54.182	21.630	21.630	0.000	0.000	0.000	0.000
692	B	232	THR	0	-0.012	-0.022	51.966	-0.256	-0.256	0.000	0.000	0.000	0.000
693	B	233	GLY	0	-0.006	0.006	54.590	-0.262	-0.262	0.000	0.000	0.000	0.000
694	B	234	GLU	-1	-0.778	-0.856	50.334	23.606	23.606	0.000	0.000	0.000	0.000
695	B	235	VAL	0	0.019	0.009	45.844	0.045	0.045	0.000	0.000	0.000	0.000
696	B	236	LYS	1	0.859	0.955	45.824	-24.581	-24.581	0.000	0.000	0.000	0.000
697	B	237	GLY	0	0.034	0.001	41.997	0.102	0.102	0.000	0.000	0.000	0.000
698	B	238	HIS	0	-0.015	0.002	37.499	-0.827	-0.827	0.000	0.000	0.000	0.000
699	B	239	TYR	0	-0.017	-0.018	34.302	-0.119	-0.119	0.000	0.000	0.000	0.000
700	B	240	LEU	0	-0.016	0.002	35.347	0.252	0.252	0.000	0.000	0.000	0.000
701	B	241	ASN	0	0.031	0.002	29.011	1.326	1.326	0.000	0.000	0.000	0.000
702	B	242	ALA	0	-0.029	-0.014	29.883	-0.552	-0.552	0.000	0.000	0.000	0.000
703	B	243	THR	0	0.005	0.013	24.387	1.327	1.327	0.000	0.000	0.000	0.000
704	B	244	ALA	0	-0.001	-0.002	25.177	-1.377	-1.377	0.000	0.000	0.000	0.000
705	B	245	GLY	0	0.030	0.011	22.870	1.695	1.695	0.000	0.000	0.000	0.000
706	B	246	THR	0	0.019	0.017	22.028	1.568	1.568	0.000	0.000	0.000	0.000
707	B	248	GLU	-1	-0.811	-0.891	24.881	43.700	43.700	0.000	0.000	0.000	0.000
708	B	249	GLU	-1	-0.859	-0.922	27.445	35.134	35.134	0.000	0.000	0.000	0.000
709	B	250	MET	0	-0.031	0.008	25.429	-0.902	-0.902	0.000	0.000	0.000	0.000
710	B	251	MET	0	-0.004	-0.006	27.396	-1.641	-1.641	0.000	0.000	0.000	0.000
711	B	252	LYS	1	0.863	0.922	30.610	-36.603	-36.603	0.000	0.000	0.000	0.000
712	B	253	ARG	1	0.744	0.866	29.572	-39.063	-39.063	0.000	0.000	0.000	0.000
713	B	254	ALA	0	0.049	0.025	32.006	-0.980	-0.980	0.000	0.000	0.000	0.000
714	B	255	VAL	0	-0.021	-0.007	33.928	-0.908	-0.908	0.000	0.000	0.000	0.000
715	B	256	SMC	0	-0.057	-0.005	36.543	-1.001	-1.001	0.000	0.000	0.000	0.000
716	B	257	ALA	0	0.036	0.008	36.842	-0.862	-0.862	0.000	0.000	0.000	0.000
717	B	258	LYS	1	0.901	0.941	38.179	-30.506	-30.506	0.000	0.000	0.000	0.000
718	B	259	GLU	-1	-1.002	-1.011	39.885	28.581	28.581	0.000	0.000	0.000	0.000
719	B	260	LEU	0	-0.057	-0.018	40.827	-0.771	-0.771	0.000	0.000	0.000	0.000
720	B	261	GLY	0	0.013	0.025	43.104	-0.619	-0.619	0.000	0.000	0.000	0.000
721	B	262	VAL	0	-0.028	-0.009	39.902	-0.334	-0.334	0.000	0.000	0.000	0.000
722	B	263	PRO	0	0.033	0.012	41.082	0.518	0.518	0.000	0.000	0.000	0.000
723	B	264	ILE	0	-0.026	-0.008	35.937	0.417	0.417	0.000	0.000	0.000	0.000
724	B	265	ILE	0	-0.007	0.007	31.727	-0.334	-0.334	0.000	0.000	0.000	0.000
725	B	266	MET	0	-0.058	-0.015	29.873	-0.346	-0.346	0.000	0.000	0.000	0.000
726	B	267	HIS	0	-0.030	-0.025	22.784	0.220	0.220	0.000	0.000	0.000	0.000
727	B	268	ASP	-1	-0.771	-0.904	23.995	41.950	41.950	0.000	0.000	0.000	0.000
728	B	269	TYR	0	-0.048	-0.033	21.594	1.461	1.461	0.000	0.000	0.000	0.000
729	B	270	LEU	0	-0.028	-0.003	17.683	2.125	2.125	0.000	0.000	0.000	0.000
730	B	271	THR	0	-0.034	-0.017	17.696	2.503	2.503	0.000	0.000	0.000	0.000
731	B	272	GLY	0	0.019	0.013	19.083	1.051	1.051	0.000	0.000	0.000	0.000
732	B	273	GLY	0	-0.001	-0.009	17.816	1.977	1.977	0.000	0.000	0.000	0.000
733	B	274	PHE	0	0.038	-0.008	16.430	-3.432	-3.432	0.000	0.000	0.000	0.000
734	B	275	THR	0	0.012	0.028	17.111	-1.067	-1.067	0.000	0.000	0.000	0.000
735	B	276	ALA	0	0.029	-0.008	19.450	-2.313	-2.313	0.000	0.000	0.000	0.000
736	B	277	ASN	0	0.044	0.014	21.835	-3.095	-3.095	0.000	0.000	0.000	0.000
737	B	278	THR	0	-0.018	0.000	22.215	-1.165	-1.165	0.000	0.000	0.000	0.000
738	B	279	SER	0	-0.011	-0.034	23.762	-0.804	-0.804	0.000	0.000	0.000	0.000
739	B	280	LEU	0	-0.001	0.000	25.590	-1.880	-1.880	0.000	0.000	0.000	0.000
740	B	281	ALA	0	0.023	0.013	27.417	-1.786	-1.786	0.000	0.000	0.000	0.000
741	B	282	ILE	0	0.018	0.003	26.050	-1.350	-1.350	0.000	0.000	0.000	0.000
742	B	283	TYR	0	0.030	0.018	29.797	-1.556	-1.556	0.000	0.000	0.000	0.000
743	B	284	CYS	0	-0.043	-0.021	31.777	-1.403	-1.403	0.000	0.000	0.000	0.000
744	B	285	ARG	1	0.847	0.915	32.809	-36.264	-36.264	0.000	0.000	0.000	0.000
745	B	286	ASP	-1	-0.930	-0.959	33.144	33.835	33.835	0.000	0.000	0.000	0.000
746	B	287	ASN	0	-0.118	-0.062	35.121	-1.832	-1.832	0.000	0.000	0.000	0.000
747	B	288	GLY	0	-0.033	0.002	37.569	-0.746	-0.746	0.000	0.000	0.000	0.000
748	B	289	LEU	0	-0.026	-0.017	35.581	-0.576	-0.576	0.000	0.000	0.000	0.000
749	B	290	LEU	0	-0.022	-0.011	35.894	0.629	0.629	0.000	0.000	0.000	0.000
750	B	291	LEU	0	0.011	-0.003	28.484	0.051	0.051	0.000	0.000	0.000	0.000
751	B	292	HIS	0	-0.009	-0.019	31.325	-0.169	-0.169	0.000	0.000	0.000	0.000
752	B	293	ILE	0	0.021	0.010	25.779	0.686	0.686	0.000	0.000	0.000	0.000
753	B	294	HIS	0	0.067	0.013	27.021	0.444	0.444	0.000	0.000	0.000	0.000
754	B	295	ARG	1	0.777	0.846	24.024	-39.596	-39.596	0.000	0.000	0.000	0.000
755	B	296	ALA	0	0.012	0.002	23.282	1.359	1.359	0.000	0.000	0.000	0.000
756	B	297	MET	0	0.003	-0.002	14.858	1.592	1.592	0.000	0.000	0.000	0.000
757	B	298	HIS	1	0.848	0.904	19.356	-43.874	-43.874	0.000	0.000	0.000	0.000
758	B	299	ALA	0	0.020	0.030	20.054	1.624	1.624	0.000	0.000	0.000	0.000
759	B	300	VAL	0	-0.026	0.002	15.992	0.163	0.163	0.000	0.000	0.000	0.000
760	B	301	ILE	0	-0.026	-0.020	14.912	2.805	2.805	0.000	0.000	0.000	0.000
761	B	302	ASP	-1	-0.808	-0.899	17.236	49.773	49.773	0.000	0.000	0.000	0.000
762	B	303	ARG	1	0.803	0.907	20.476	-43.847	-43.847	0.000	0.000	0.000	0.000
763	B	304	GLN	0	-0.036	-0.029	19.872	-2.441	-2.441	0.000	0.000	0.000	0.000
764	B	305	ARG	1	0.860	0.929	21.184	-42.017	-42.017	0.000	0.000	0.000	0.000
765	B	306	ASN	0	-0.017	-0.023	19.238	0.392	0.392	0.000	0.000	0.000	0.000
766	B	307	HIS	0	-0.022	-0.019	12.006	-0.489	-0.489	0.000	0.000	0.000	0.000
767	B	308	GLY	0	0.056	0.043	15.114	-1.948	-1.948	0.000	0.000	0.000	0.000
768	B	309	ILE	0	-0.027	-0.027	13.830	1.741	1.741	0.000	0.000	0.000	0.000
769	B	310	HIS	0	0.030	0.021	17.806	-1.216	-1.216	0.000	0.000	0.000	0.000
770	B	311	PHE	0	0.056	0.016	21.412	0.734	0.734	0.000	0.000	0.000	0.000
771	B	312	ARG	1	0.901	0.940	23.269	-45.983	-45.983	0.000	0.000	0.000	0.000
772	B	313	VAL	0	-0.012	0.004	18.246	-0.589	-0.589	0.000	0.000	0.000	0.000
773	B	314	LEU	0	-0.020	-0.009	17.705	0.532	0.532	0.000	0.000	0.000	0.000
774	B	315	ALA	0	0.004	0.008	21.272	-0.522	-0.522	0.000	0.000	0.000	0.000
775	B	316	LYS	1	0.831	0.913	22.996	-46.817	-46.817	0.000	0.000	0.000	0.000
776	B	317	ALA	0	0.033	0.008	19.714	-0.492	-0.492	0.000	0.000	0.000	0.000
777	B	318	LEU	0	-0.016	-0.002	21.629	-0.115	-0.115	0.000	0.000	0.000	0.000
778	B	319	ARG	1	0.786	0.892	24.161	-38.518	-38.518	0.000	0.000	0.000	0.000
779	B	320	MET	0	-0.021	-0.004	21.059	-0.806	-0.806	0.000	0.000	0.000	0.000
780	B	321	SER	0	-0.046	-0.014	21.940	-1.060	-1.060	0.000	0.000	0.000	0.000
781	B	322	GLY	0	0.051	0.018	23.898	-0.699	-0.699	0.000	0.000	0.000	0.000
782	B	323	GLY	0	0.032	-0.018	27.328	0.744	0.744	0.000	0.000	0.000	0.000
783	B	324	ASP	-1	-0.729	-0.853	29.636	34.114	34.114	0.000	0.000	0.000	0.000
784	B	325	HIS	1	0.733	0.851	32.130	-33.779	-33.779	0.000	0.000	0.000	0.000
785	B	326	LEU	0	0.037	0.017	25.863	1.160	1.160	0.000	0.000	0.000	0.000
786	B	327	HIS	0	-0.026	-0.012	28.774	-1.163	-1.163	0.000	0.000	0.000	0.000
787	B	328	SER	0	0.029	0.004	28.782	1.150	1.150	0.000	0.000	0.000	0.000
788	B	329	GLY	0	0.035	0.022	30.726	0.584	0.584	0.000	0.000	0.000	0.000
789	B	330	THR	0	0.029	0.006	31.944	-0.789	-0.789	0.000	0.000	0.000	0.000
790	B	331	ALA	0	0.041	0.045	34.387	-1.003	-1.003	0.000	0.000	0.000	0.000
791	B	332	VAL	0	-0.029	-0.025	35.892	0.041	0.041	0.000	0.000	0.000	0.000
792	B	333	GLY	0	0.004	0.017	36.548	-0.602	-0.602	0.000	0.000	0.000	0.000
793	B	334	LYS	1	0.783	0.874	32.879	-33.569	-33.569	0.000	0.000	0.000	0.000
794	B	335	LEU	0	-0.014	-0.001	28.697	0.564	0.564	0.000	0.000	0.000	0.000
795	B	336	GLU	-1	-0.788	-0.894	28.018	39.754	39.754	0.000	0.000	0.000	0.000
796	B	337	GLY	0	0.036	0.008	29.254	1.132	1.132	0.000	0.000	0.000	0.000
797	B	338	GLU	-1	-0.886	-0.939	30.854	32.916	32.916	0.000	0.000	0.000	0.000
798	B	339	ARG	1	0.945	0.960	33.406	-28.610	-28.610	0.000	0.000	0.000	0.000
799	B	340	GLU	-1	-0.864	-0.932	35.424	31.994	31.994	0.000	0.000	0.000	0.000
800	B	341	VAL	0	-0.031	-0.014	28.726	0.615	0.615	0.000	0.000	0.000	0.000
801	B	342	ILE	0	-0.042	-0.023	31.167	0.704	0.704	0.000	0.000	0.000	0.000
802	B	343	LEU	0	-0.025	-0.019	32.487	0.190	0.190	0.000	0.000	0.000	0.000
803	B	344	GLY	0	0.045	0.040	31.860	-0.220	-0.220	0.000	0.000	0.000	0.000
804	B	345	PHE	0	-0.017	-0.022	27.986	0.462	0.462	0.000	0.000	0.000	0.000
805	B	346	VAL	0	0.015	-0.004	30.077	0.361	0.361	0.000	0.000	0.000	0.000
806	B	347	ASP	-1	-0.855	-0.910	33.089	32.860	32.860	0.000	0.000	0.000	0.000
807	B	348	LEU	0	-0.091	-0.044	27.258	0.474	0.474	0.000	0.000	0.000	0.000
808	B	349	MET	0	-0.087	-0.019	29.103	0.783	0.783	0.000	0.000	0.000	0.000
809	B	350	ARG	1	0.830	0.910	30.983	-31.925	-31.925	0.000	0.000	0.000	0.000
810	B	351	ASP	-1	-0.858	-0.913	34.374	31.844	31.844	0.000	0.000	0.000	0.000
811	B	352	ASP	-1	-0.907	-0.955	33.746	34.773	34.773	0.000	0.000	0.000	0.000
812	B	353	TYR	0	0.005	-0.007	33.850	1.232	1.232	0.000	0.000	0.000	0.000
813	B	354	VAL	0	0.010	0.018	31.784	-0.665	-0.665	0.000	0.000	0.000	0.000
814	B	355	GLU	-1	-0.901	-0.957	32.434	34.281	34.281	0.000	0.000	0.000	0.000
815	B	356	LYS	1	0.922	0.958	30.424	-39.054	-39.054	0.000	0.000	0.000	0.000
816	B	357	ASP	-1	-0.781	-0.868	31.801	33.077	33.077	0.000	0.000	0.000	0.000
817	B	358	ARG	1	0.848	0.917	28.246	-41.970	-41.970	0.000	0.000	0.000	0.000
818	B	359	SER	0	-0.105	-0.062	31.742	0.521	0.521	0.000	0.000	0.000	0.000
819	B	360	ARG	1	0.990	0.990	32.810	-32.816	-32.816	0.000	0.000	0.000	0.000
820	B	361	GLY	0	-0.066	-0.041	28.740	0.888	0.888	0.000	0.000	0.000	0.000
821	B	362	ILE	0	-0.025	0.011	27.425	2.004	2.004	0.000	0.000	0.000	0.000
822	B	363	TYR	0	-0.044	-0.045	25.259	-0.883	-0.883	0.000	0.000	0.000	0.000
823	B	364	PHE	0	-0.048	-0.028	22.407	-0.171	-0.171	0.000	0.000	0.000	0.000
824	B	365	THR	0	0.041	0.025	27.893	-0.153	-0.153	0.000	0.000	0.000	0.000
825	B	366	GLN	0	-0.059	-0.033	26.229	2.951	2.951	0.000	0.000	0.000	0.000
826	B	367	ASP	-1	-0.843	-0.923	29.696	34.763	34.763	0.000	0.000	0.000	0.000
827	B	368	TRP	0	-0.023	-0.026	25.645	2.135	2.135	0.000	0.000	0.000	0.000
828	B	369	SMC	0	-0.058	-0.026	31.153	0.115	0.115	0.000	0.000	0.000	0.000
829	B	370	SER	0	-0.014	-0.021	33.498	-0.287	-0.287	0.000	0.000	0.000	0.000
830	B	371	MET	0	-0.071	0.004	27.067	-0.127	-0.127	0.000	0.000	0.000	0.000
831	B	372	PRO	0	0.028	0.023	32.472	-0.267	-0.267	0.000	0.000	0.000	0.000
832	B	373	GLY	0	0.055	0.035	32.539	1.146	1.146	0.000	0.000	0.000	0.000
833	B	374	VAL	0	-0.033	-0.028	29.437	-0.494	-0.494	0.000	0.000	0.000	0.000
834	B	375	MET	0	-0.012	-0.005	32.859	-0.390	-0.390	0.000	0.000	0.000	0.000
835	B	376	PRO	0	0.010	0.014	33.034	0.840	0.840	0.000	0.000	0.000	0.000
836	B	377	VAL	0	-0.008	-0.009	32.896	-1.195	-1.195	0.000	0.000	0.000	0.000
837	B	378	ALA	0	0.036	0.025	33.324	0.962	0.962	0.000	0.000	0.000	0.000
838	B	379	SER	0	0.000	-0.035	33.409	-1.236	-1.236	0.000	0.000	0.000	0.000
839	B	380	GLY	0	0.080	0.042	33.671	0.875	0.875	0.000	0.000	0.000	0.000
840	B	381	GLY	0	-0.038	-0.033	34.958	-0.004	-0.004	0.000	0.000	0.000	0.000
841	B	382	ILE	0	-0.042	-0.009	37.759	-0.491	-0.491	0.000	0.000	0.000	0.000
842	B	383	HIS	0	0.016	-0.020	40.283	-0.594	-0.594	0.000	0.000	0.000	0.000
843	B	384	VAL	0	0.050	0.011	44.006	0.060	0.060	0.000	0.000	0.000	0.000
844	B	385	TRP	0	-0.074	-0.035	47.122	-0.396	-0.396	0.000	0.000	0.000	0.000
845	B	386	HIS	0	0.018	0.017	41.513	-0.019	-0.019	0.000	0.000	0.000	0.000
846	B	387	MET	0	-0.012	0.013	44.059	0.535	0.535	0.000	0.000	0.000	0.000
847	B	388	PRO	0	0.015	0.004	45.570	0.180	0.180	0.000	0.000	0.000	0.000
848	B	389	ALA	0	0.035	0.015	42.871	0.110	0.110	0.000	0.000	0.000	0.000
849	B	390	LEU	0	-0.016	0.002	39.334	0.510	0.510	0.000	0.000	0.000	0.000
850	B	391	VAL	0	0.024	-0.005	41.918	0.436	0.436	0.000	0.000	0.000	0.000
851	B	392	GLU	-1	-0.923	-0.964	44.579	27.002	27.002	0.000	0.000	0.000	0.000
852	B	393	ILE	0	-0.070	-0.020	37.916	0.206	0.206	0.000	0.000	0.000	0.000
853	B	394	PHE	0	-0.010	-0.004	35.158	0.489	0.489	0.000	0.000	0.000	0.000
854	B	395	GLY	0	0.032	0.034	40.287	0.181	0.181	0.000	0.000	0.000	0.000
855	B	396	ASP	-1	-0.829	-0.919	42.937	26.103	26.103	0.000	0.000	0.000	0.000
856	B	397	ASP	-1	-0.896	-0.940	39.593	29.003	29.003	0.000	0.000	0.000	0.000
857	B	398	ALA	0	0.047	0.005	38.086	0.959	0.959	0.000	0.000	0.000	0.000
858	B	399	CYS	0	-0.074	-0.008	37.190	-0.985	-0.985	0.000	0.000	0.000	0.000
859	B	400	LEU	0	0.007	0.003	37.695	0.712	0.712	0.000	0.000	0.000	0.000
860	B	401	GLN	0	0.031	0.002	34.369	-0.819	-0.819	0.000	0.000	0.000	0.000
861	B	402	PHE	0	0.025	0.010	38.736	0.266	0.266	0.000	0.000	0.000	0.000
862	B	403	GLY	0	0.080	0.062	38.736	-0.577	-0.577	0.000	0.000	0.000	0.000
863	B	404	GLY	0	0.045	-0.010	39.274	-0.799	-0.799	0.000	0.000	0.000	0.000
864	B	405	GLY	0	-0.043	-0.020	41.197	-0.705	-0.705	0.000	0.000	0.000	0.000
865	B	406	THR	0	-0.060	-0.052	43.218	-0.806	-0.806	0.000	0.000	0.000	0.000
866	B	407	LEU	0	-0.012	-0.027	41.384	-0.668	-0.668	0.000	0.000	0.000	0.000
867	B	408	GLY	0	0.032	0.017	44.686	-0.237	-0.237	0.000	0.000	0.000	0.000
868	B	409	HIS	0	-0.032	-0.007	45.754	-0.367	-0.367	0.000	0.000	0.000	0.000
869	B	410	PRO	0	0.001	-0.008	49.076	-0.109	-0.109	0.000	0.000	0.000	0.000
870	B	411	TRP	0	-0.051	-0.059	52.061	-0.402	-0.402	0.000	0.000	0.000	0.000
871	B	412	GLY	0	0.038	0.037	50.209	-0.279	-0.279	0.000	0.000	0.000	0.000
872	B	413	ASN	0	0.039	0.008	45.678	0.024	0.024	0.000	0.000	0.000	0.000
873	B	414	ALA	0	0.044	0.042	48.677	0.157	0.157	0.000	0.000	0.000	0.000
874	B	415	PRO	0	-0.008	-0.026	51.333	-0.026	-0.026	0.000	0.000	0.000	0.000
875	B	416	GLY	0	0.044	0.017	48.595	-0.029	-0.029	0.000	0.000	0.000	0.000
876	B	417	ALA	0	-0.023	-0.003	47.481	0.280	0.280	0.000	0.000	0.000	0.000
877	B	418	ALA	0	0.020	0.021	48.476	0.103	0.103	0.000	0.000	0.000	0.000
878	B	419	ALA	0	-0.036	-0.009	50.269	-0.145	-0.145	0.000	0.000	0.000	0.000
879	B	420	ASN	0	0.004	-0.006	45.644	-0.033	-0.033	0.000	0.000	0.000	0.000
880	B	421	ARG	1	0.756	0.863	48.101	-23.791	-23.791	0.000	0.000	0.000	0.000
881	B	422	VAL	0	-0.020	-0.009	49.669	-0.134	-0.134	0.000	0.000	0.000	0.000
882	B	423	ALA	0	-0.035	-0.013	48.997	-0.149	-0.149	0.000	0.000	0.000	0.000
883	B	424	LEU	0	0.035	0.011	45.553	-0.025	-0.025	0.000	0.000	0.000	0.000
884	B	425	GLU	-1	-0.748	-0.878	48.754	22.956	22.956	0.000	0.000	0.000	0.000
885	B	426	ALA	0	0.003	0.000	51.925	-0.278	-0.278	0.000	0.000	0.000	0.000
886	B	427	CYS	0	-0.054	-0.028	49.349	-0.188	-0.188	0.000	0.000	0.000	0.000
887	B	428	THR	0	0.006	-0.001	49.274	0.186	0.186	0.000	0.000	0.000	0.000
888	B	429	GLN	0	-0.011	-0.010	50.979	-0.387	-0.387	0.000	0.000	0.000	0.000
889	B	430	ALA	0	-0.023	-0.003	53.607	-0.222	-0.222	0.000	0.000	0.000	0.000
890	B	431	ARG	1	0.848	0.909	47.122	-25.231	-25.231	0.000	0.000	0.000	0.000
891	B	432	ASN	0	-0.037	-0.029	52.284	0.385	0.385	0.000	0.000	0.000	0.000
892	B	433	GLU	-1	-0.953	-0.979	54.379	20.675	20.675	0.000	0.000	0.000	0.000
893	B	434	GLY	0	-0.020	0.002	55.388	-0.362	-0.362	0.000	0.000	0.000	0.000
894	B	435	ARG	1	0.840	0.930	55.038	-21.382	-21.382	0.000	0.000	0.000	0.000
895	B	436	ASP	-1	-0.806	-0.899	51.040	24.617	24.617	0.000	0.000	0.000	0.000
896	B	437	LEU	0	-0.014	-0.021	48.106	-0.177	-0.177	0.000	0.000	0.000	0.000
897	B	438	ALA	0	0.016	0.018	47.673	0.044	0.044	0.000	0.000	0.000	0.000
898	B	439	ARG	1	0.830	0.914	49.022	-24.251	-24.251	0.000	0.000	0.000	0.000
899	B	440	GLU	-1	-0.818	-0.920	52.591	21.418	21.418	0.000	0.000	0.000	0.000
900	B	441	GLY	0	0.039	0.025	50.712	-0.257	-0.257	0.000	0.000	0.000	0.000
901	B	442	GLY	0	0.000	-0.016	51.759	-0.058	-0.058	0.000	0.000	0.000	0.000
902	B	443	ASP	-1	-0.852	-0.927	53.150	21.123	21.123	0.000	0.000	0.000	0.000
903	B	444	VAL	0	-0.045	-0.014	53.366	-0.398	-0.398	0.000	0.000	0.000	0.000
904	B	445	ILE	0	0.029	0.016	50.243	-0.268	-0.268	0.000	0.000	0.000	0.000
905	B	446	ARG	1	0.917	0.938	53.993	-22.240	-22.240	0.000	0.000	0.000	0.000
906	B	447	SER	0	-0.049	-0.030	57.134	-0.533	-0.533	0.000	0.000	0.000	0.000
907	B	448	ALA	0	0.024	0.011	55.506	-0.336	-0.336	0.000	0.000	0.000	0.000
908	B	449	CYS	0	-0.022	-0.008	55.526	-0.086	-0.086	0.000	0.000	0.000	0.000
909	B	450	LYS	1	0.848	0.937	57.992	-20.224	-20.224	0.000	0.000	0.000	0.000
910	B	451	TRP	0	0.017	0.021	56.696	-0.345	-0.345	0.000	0.000	0.000	0.000
911	B	452	SER	0	-0.011	0.013	56.431	0.070	0.070	0.000	0.000	0.000	0.000
912	B	453	PRO	0	0.044	0.011	57.811	0.199	0.199	0.000	0.000	0.000	0.000
913	B	454	GLU	-1	-0.805	-0.895	53.975	21.229	21.229	0.000	0.000	0.000	0.000
914	B	455	LEU	0	0.039	0.016	51.682	0.380	0.380	0.000	0.000	0.000	0.000
915	B	456	ALA	0	0.001	-0.003	53.551	0.284	0.284	0.000	0.000	0.000	0.000
916	B	457	ALA	0	-0.017	-0.015	54.609	0.117	0.117	0.000	0.000	0.000	0.000
917	B	458	ALA	0	0.008	0.006	49.573	0.229	0.229	0.000	0.000	0.000	0.000
918	B	459	CYS	0	-0.074	-0.044	50.363	0.405	0.405	0.000	0.000	0.000	0.000
919	B	460	GLU	-1	-0.955	-0.977	51.868	21.709	21.709	0.000	0.000	0.000	0.000
920	B	461	VAL	0	-0.023	-0.003	48.434	0.105	0.105	0.000	0.000	0.000	0.000
921	B	462	TRP	0	-0.016	-0.020	45.280	0.190	0.190	0.000	0.000	0.000	0.000
922	B	463	LYS	1	0.926	0.975	47.618	-21.714	-21.714	0.000	0.000	0.000	0.000
923	B	464	GLU	-1	-0.931	-0.971	48.778	23.562	23.562	0.000	0.000	0.000	0.000
924	B	465	ILE	0	-0.068	-0.009	42.653	0.404	0.404	0.000	0.000	0.000	0.000
925	B	466	LYS	1	0.951	0.976	42.537	-26.005	-26.005	0.000	0.000	0.000	0.000
926	B	467	PHE	0	0.004	0.003	37.030	0.230	0.230	0.000	0.000	0.000	0.000
927	B	468	GLU	-1	-0.946	-0.976	38.284	28.500	28.500	0.000	0.000	0.000	0.000
928	B	469	PHE	0	0.037	0.006	34.448	-0.149	-0.149	0.000	0.000	0.000	0.000
929	B	470	ASP	-1	-0.836	-0.913	32.439	36.032	36.032	0.000	0.000	0.000	0.000
930	B	471	THR	0	-0.018	0.002	30.322	0.463	0.463	0.000	0.000	0.000	0.000
931	B	472	ILE	0	-0.009	0.003	25.323	-0.310	-0.310	0.000	0.000	0.000	0.000
932	B	473	ASP	-1	-0.825	-0.893	25.209	46.765	46.765	0.000	0.000	0.000	0.000
933	B	474	LYS	1	0.795	0.886	27.019	-38.091	-38.091	0.000	0.000	0.000	0.000
934	B	475	LEU	0	0.032	0.027	27.799	1.745	1.745	0.000	0.000	0.000	0.000
935	I	1	MME	1	0.825	0.910	18.733	-49.828	-49.828	0.000	0.000	0.000	0.000
936	I	2	MET	0	0.009	0.023	21.031	-1.839	-1.839	0.000	0.000	0.000	0.000
937	I	3	VAL	0	0.042	0.012	20.596	2.393	2.393	0.000	0.000	0.000	0.000
938	I	4	TRP	0	0.065	0.049	19.355	-1.931	-1.931	0.000	0.000	0.000	0.000
939	I	5	THR	0	0.002	-0.003	21.460	-0.064	-0.064	0.000	0.000	0.000	0.000
940	I	6	PRO	0	0.025	0.019	23.627	0.671	0.671	0.000	0.000	0.000	0.000
941	I	7	VAL	0	-0.034	-0.011	24.712	-0.879	-0.879	0.000	0.000	0.000	0.000
942	I	8	ASN	0	-0.043	-0.029	28.347	0.147	0.147	0.000	0.000	0.000	0.000
943	I	9	ASN	0	0.011	-0.009	23.259	-1.703	-1.703	0.000	0.000	0.000	0.000
944	I	10	LYS	1	0.933	0.996	24.529	-39.409	-39.409	0.000	0.000	0.000	0.000
945	I	11	MET	0	-0.097	-0.039	21.417	-0.854	-0.854	0.000	0.000	0.000	0.000
946	I	12	PHE	0	-0.025	-0.047	24.255	-1.345	-1.345	0.000	0.000	0.000	0.000
947	I	13	GLU	-1	-0.748	-0.853	20.618	56.864	56.864	0.000	0.000	0.000	0.000
948	I	14	THR	0	-0.035	-0.018	21.520	1.234	1.234	0.000	0.000	0.000	0.000
949	I	15	PHE	0	-0.017	-0.012	21.818	-2.248	-2.248	0.000	0.000	0.000	0.000
950	I	16	SER	0	-0.061	-0.034	22.845	-1.379	-1.379	0.000	0.000	0.000	0.000
951	I	17	TYR	0	0.039	-0.005	18.527	-0.232	-0.232	0.000	0.000	0.000	0.000
952	I	18	LEU	0	-0.034	-0.003	21.310	0.547	0.547	0.000	0.000	0.000	0.000
953	I	19	PRO	0	-0.053	-0.035	23.824	-1.124	-1.124	0.000	0.000	0.000	0.000
954	I	20	PRO	0	-0.031	-0.021	27.324	0.262	0.262	0.000	0.000	0.000	0.000
955	I	21	LEU	0	0.024	0.032	27.204	-0.445	-0.445	0.000	0.000	0.000	0.000
956	I	22	THR	0	-0.003	-0.001	30.894	-1.408	-1.408	0.000	0.000	0.000	0.000
957	I	23	ASP	-1	-0.870	-0.950	34.059	32.435	32.435	0.000	0.000	0.000	0.000
958	I	24	GLU	-1	-0.982	-0.985	35.119	33.859	33.859	0.000	0.000	0.000	0.000
959	I	25	GLN	0	0.054	0.023	29.119	-0.195	-0.195	0.000	0.000	0.000	0.000
960	I	26	ILE	0	-0.004	-0.005	31.655	0.981	0.981	0.000	0.000	0.000	0.000
961	I	27	ALA	0	-0.009	-0.015	33.334	0.326	0.326	0.000	0.000	0.000	0.000
962	I	28	ALA	0	0.060	0.044	31.756	-0.023	-0.023	0.000	0.000	0.000	0.000
963	I	29	GLN	0	0.034	0.015	27.050	1.460	1.460	0.000	0.000	0.000	0.000
964	I	30	VAL	0	-0.047	-0.025	31.137	0.245	0.245	0.000	0.000	0.000	0.000
965	I	31	ASP	-1	-0.893	-0.955	34.409	34.069	34.069	0.000	0.000	0.000	0.000
966	I	32	TYR	0	-0.018	0.004	24.436	0.046	0.046	0.000	0.000	0.000	0.000
967	I	33	ILE	0	-0.006	-0.008	30.806	0.432	0.432	0.000	0.000	0.000	0.000
968	I	34	VAL	0	-0.042	-0.021	31.939	-0.274	-0.274	0.000	0.000	0.000	0.000
969	I	35	ALA	0	-0.046	-0.021	32.037	-0.484	-0.484	0.000	0.000	0.000	0.000
970	I	36	ASN	0	-0.066	-0.038	28.068	0.627	0.627	0.000	0.000	0.000	0.000
971	I	37	GLY	0	-0.060	-0.009	30.933	0.192	0.192	0.000	0.000	0.000	0.000
972	I	38	TRP	0	0.005	0.007	25.621	-0.229	-0.229	0.000	0.000	0.000	0.000
973	I	39	ILE	0	-0.029	-0.024	32.040	-1.283	-1.283	0.000	0.000	0.000	0.000
974	I	40	PRO	0	0.024	0.029	33.442	0.846	0.846	0.000	0.000	0.000	0.000
975	I	41	CYS	0	-0.023	-0.007	34.569	-1.350	-1.350	0.000	0.000	0.000	0.000
976	I	42	LEU	0	0.005	0.020	35.031	0.767	0.767	0.000	0.000	0.000	0.000
977	I	43	GLU	-1	-0.847	-0.909	32.543	37.876	37.876	0.000	0.000	0.000	0.000
978	I	44	PHE	0	-0.012	-0.028	35.675	0.274	0.274	0.000	0.000	0.000	0.000
979	I	45	ALA	0	0.048	0.027	35.090	-0.159	-0.159	0.000	0.000	0.000	0.000
980	I	46	GLU	-1	-0.918	-0.955	37.195	29.959	29.959	0.000	0.000	0.000	0.000
981	I	47	ALA	0	0.022	-0.016	36.155	0.806	0.806	0.000	0.000	0.000	0.000
982	I	48	ASP	-1	-0.908	-0.947	35.388	32.242	32.242	0.000	0.000	0.000	0.000
983	I	49	LYS	1	0.870	0.936	35.393	-31.778	-31.778	0.000	0.000	0.000	0.000
984	I	50	ALA	0	-0.012	0.014	32.431	0.668	0.668	0.000	0.000	0.000	0.000
985	I	51	TYR	0	-0.002	-0.015	27.565	1.510	1.510	0.000	0.000	0.000	0.000
986	I	52	VAL	0	0.008	0.017	24.976	-1.010	-1.010	0.000	0.000	0.000	0.000
987	I	53	SER	0	-0.078	-0.086	28.376	0.196	0.196	0.000	0.000	0.000	0.000
988	I	54	ASN	0	0.027	-0.005	27.001	1.327	1.327	0.000	0.000	0.000	0.000
989	I	55	GLU	-1	-0.834	-0.864	30.551	35.188	35.188	0.000	0.000	0.000	0.000
990	I	56	SER	0	-0.042	-0.068	33.866	-1.245	-1.245	0.000	0.000	0.000	0.000
991	I	57	ALA	0	0.017	0.005	30.890	-0.493	-0.493	0.000	0.000	0.000	0.000
992	I	58	ILE	0	-0.057	-0.013	32.934	-0.210	-0.210	0.000	0.000	0.000	0.000
993	I	59	ARG	1	0.894	0.940	35.941	-30.894	-30.894	0.000	0.000	0.000	0.000
994	I	60	PHE	0	-0.061	-0.008	30.468	-0.388	-0.388	0.000	0.000	0.000	0.000
995	I	61	GLY	0	0.044	0.028	33.421	-0.478	-0.478	0.000	0.000	0.000	0.000
996	I	62	SER	0	0.016	-0.002	28.264	0.069	0.069	0.000	0.000	0.000	0.000
997	I	63	VAL	0	-0.027	-0.037	27.875	1.072	1.072	0.000	0.000	0.000	0.000
998	I	64	SER	0	0.038	0.021	26.244	-0.065	-0.065	0.000	0.000	0.000	0.000
999	I	65	CYS	0	-0.030	0.021	21.568	0.339	0.339	0.000	0.000	0.000	0.000
1000	I	66	LEU	0	-0.019	0.000	19.529	-0.572	-0.572	0.000	0.000	0.000	0.000
1001	I	67	TYR	0	-0.100	-0.041	23.476	-0.926	-0.926	0.000	0.000	0.000	0.000
1002	I	68	TYR	0	0.036	-0.006	21.806	1.202	1.202	0.000	0.000	0.000	0.000
1003	I	69	ASP	-1	-0.766	-0.827	28.216	35.949	35.949	0.000	0.000	0.000	0.000
1004	I	70	ASN	0	-0.012	-0.034	30.222	0.247	0.247	0.000	0.000	0.000	0.000
1005	I	71	ARG	1	0.872	0.942	25.353	-44.271	-44.271	0.000	0.000	0.000	0.000
1006	I	72	TYR	0	-0.003	0.002	29.781	0.115	0.115	0.000	0.000	0.000	0.000
1007	I	73	TRP	0	-0.030	-0.009	31.281	-0.414	-0.414	0.000	0.000	0.000	0.000
1008	I	74	THR	0	-0.029	-0.013	35.150	-0.519	-0.519	0.000	0.000	0.000	0.000
1009	I	75	MET	0	0.029	0.026	36.903	0.058	0.058	0.000	0.000	0.000	0.000
1010	I	76	TRP	0	-0.037	-0.036	39.136	-1.189	-1.189	0.000	0.000	0.000	0.000
1011	I	77	LYS	1	0.788	0.897	41.096	-27.371	-27.371	0.000	0.000	0.000	0.000
1012	I	78	LEU	0	0.032	0.005	40.846	0.098	0.098	0.000	0.000	0.000	0.000
1013	I	79	PRO	0	0.029	0.004	36.265	0.028	0.028	0.000	0.000	0.000	0.000
1014	I	80	MET	0	-0.043	-0.012	38.067	-0.684	-0.684	0.000	0.000	0.000	0.000
1015	I	81	PHE	0	0.027	-0.008	36.370	0.448	0.448	0.000	0.000	0.000	0.000
1016	I	82	GLY	0	0.009	0.006	38.766	-0.766	-0.766	0.000	0.000	0.000	0.000
1017	I	83	CYS	0	-0.077	-0.011	38.936	-0.693	-0.693	0.000	0.000	0.000	0.000
1018	I	84	ARG	1	0.992	0.979	37.474	-30.956	-30.956	0.000	0.000	0.000	0.000
1019	I	85	ASP	-1	-0.870	-0.942	40.204	28.493	28.493	0.000	0.000	0.000	0.000
1020	I	86	PRO	0	0.132	0.060	38.303	-0.123	-0.123	0.000	0.000	0.000	0.000
1021	I	87	MET	0	0.004	-0.008	39.939	0.210	0.210	0.000	0.000	0.000	0.000
1022	I	88	GLN	0	-0.058	-0.034	42.518	-0.291	-0.291	0.000	0.000	0.000	0.000
1023	I	89	VAL	0	0.041	0.022	36.819	-0.252	-0.252	0.000	0.000	0.000	0.000
1024	I	90	LEU	0	0.031	0.011	37.696	-0.052	-0.052	0.000	0.000	0.000	0.000
1025	I	91	ARG	1	0.929	0.962	40.740	-27.654	-27.654	0.000	0.000	0.000	0.000
1026	I	92	GLU	-1	-0.781	-0.876	41.407	27.785	27.785	0.000	0.000	0.000	0.000
1027	I	93	ILE	0	0.033	0.029	36.485	-0.074	-0.074	0.000	0.000	0.000	0.000
1028	I	94	VAL	0	-0.018	0.009	40.242	-0.278	-0.278	0.000	0.000	0.000	0.000
1029	I	95	ALA	0	-0.045	-0.031	43.334	-0.462	-0.462	0.000	0.000	0.000	0.000
1030	I	96	CYS	0	-0.038	-0.009	40.512	-0.177	-0.177	0.000	0.000	0.000	0.000
1031	I	97	THR	0	0.014	-0.017	39.232	-0.390	-0.390	0.000	0.000	0.000	0.000
1032	I	98	LYS	1	0.918	0.969	42.001	-25.457	-25.457	0.000	0.000	0.000	0.000
1033	I	99	ALA	0	-0.066	-0.030	45.475	-0.550	-0.550	0.000	0.000	0.000	0.000
1034	I	100	PHE	0	-0.008	-0.004	42.139	-0.390	-0.390	0.000	0.000	0.000	0.000
1035	I	101	PRO	0	0.011	0.011	41.812	0.809	0.809	0.000	0.000	0.000	0.000
1036	I	102	ASP	-1	-0.966	-0.981	41.514	28.352	28.352	0.000	0.000	0.000	0.000
1037	I	103	ALA	0	-0.038	-0.012	38.986	0.395	0.395	0.000	0.000	0.000	0.000
1038	I	104	TYR	0	0.009	-0.007	32.140	-0.115	-0.115	0.000	0.000	0.000	0.000
1039	I	105	VAL	0	0.004	-0.004	35.074	-0.398	-0.398	0.000	0.000	0.000	0.000
1040	I	106	ARG	1	0.854	0.929	29.542	-39.679	-39.679	0.000	0.000	0.000	0.000
1041	I	107	LEU	0	-0.016	0.004	31.953	-1.237	-1.237	0.000	0.000	0.000	0.000
1042	I	108	VAL	0	0.031	0.016	30.101	1.458	1.458	0.000	0.000	0.000	0.000
1043	I	109	ALA	0	0.018	-0.008	29.684	-1.408	-1.408	0.000	0.000	0.000	0.000
1044	I	110	PHE	0	-0.019	-0.009	29.004	1.525	1.525	0.000	0.000	0.000	0.000
1045	I	111	ASP	-1	-0.769	-0.884	26.344	42.733	42.733	0.000	0.000	0.000	0.000
1046	I	112	ASN	0	-0.033	-0.041	28.747	0.900	0.900	0.000	0.000	0.000	0.000
1047	I	113	GLN	0	-0.027	-0.003	27.961	-1.522	-1.522	0.000	0.000	0.000	0.000
1048	I	114	LYS	1	0.934	0.973	20.538	-53.875	-53.875	0.000	0.000	0.000	0.000
1049	I	115	GLN	0	-0.052	-0.013	25.712	0.555	0.555	0.000	0.000	0.000	0.000
1050	I	116	VAL	0	0.024	0.012	23.025	0.749	0.749	0.000	0.000	0.000	0.000
1051	I	117	GLN	0	-0.008	-0.007	26.300	-0.473	-0.473	0.000	0.000	0.000	0.000
1052	I	118	ILE	0	-0.022	-0.015	23.504	2.155	2.155	0.000	0.000	0.000	0.000
1053	I	119	MET	0	-0.024	-0.019	24.426	1.348	1.348	0.000	0.000	0.000	0.000
1054	I	120	GLY	0	0.077	0.024	26.342	-1.300	-1.300	0.000	0.000	0.000	0.000
1055	I	121	PHE	0	-0.022	0.001	26.121	1.517	1.517	0.000	0.000	0.000	0.000
1056	I	122	LEU	0	-0.040	-0.017	28.031	-1.590	-1.590	0.000	0.000	0.000	0.000
1057	I	123	VAL	0	-0.011	-0.013	30.346	0.105	0.105	0.000	0.000	0.000	0.000
1058	I	124	GLN	0	-0.056	-0.031	33.555	-1.246	-1.246	0.000	0.000	0.000	0.000
1059	I	125	ARG	1	0.948	0.991	28.805	-38.220	-38.220	0.000	0.000	0.000	0.000
1060	I	126	PRO	0	0.036	0.033	35.175	-0.631	-0.631	0.000	0.000	0.000	0.000
1061	I	127	LYS	1	0.985	0.966	37.438	-28.223	-28.223	0.000	0.000	0.000	0.000
1062	I	128	THR	0	-0.026	-0.008	39.579	0.208	0.208	0.000	0.000	0.000	0.000
1063	I	129	ALA	0	0.002	0.020	34.213	-0.016	-0.016	0.000	0.000	0.000	0.000
1064	I	130	ARG	1	0.935	0.951	35.268	-30.284	-30.284	0.000	0.000	0.000	0.000
1065	I	131	ASP	-1	-0.880	-0.942	31.001	37.737	37.737	0.000	0.000	0.000	0.000
1066	I	132	PHE	0	0.021	0.009	28.795	1.362	1.362	0.000	0.000	0.000	0.000
1067	I	133	GLN	0	0.046	0.011	26.917	-1.916	-1.916	0.000	0.000	0.000	0.000
1068	I	134	PRO	0	-0.024	-0.003	28.304	0.518	0.518	0.000	0.000	0.000	0.000
1069	I	135	ALA	0	0.080	0.025	25.516	0.917	0.917	0.000	0.000	0.000	0.000
1070	I	136	ASN	0	-0.023	-0.013	25.360	1.245	1.245	0.000	0.000	0.000	0.000
1071	I	137	LYS	1	0.881	0.942	27.675	-37.619	-37.619	0.000	0.000	0.000	0.000
1072	I	138	ARG	1	0.846	0.956	22.535	-48.262	-48.262	0.000	0.000	0.000	0.000
1073	I	139	SER	0	-0.005	-0.022	22.036	0.403	0.403	0.000	0.000	0.000	0.000
1074	I	140	VAL	0	-0.044	-0.003	24.101	-1.854	-1.854	0.000	0.000	0.000	0.000
1075	J	1	MME	1	0.833	0.912	55.430	-20.486	-20.486	0.000	0.000	0.000	0.000
1076	J	2	MET	0	0.022	0.032	58.512	-0.276	-0.276	0.000	0.000	0.000	0.000
1077	J	3	VAL	0	0.041	0.015	57.675	0.397	0.397	0.000	0.000	0.000	0.000
1078	J	4	TRP	0	0.073	0.044	55.413	-0.432	-0.432	0.000	0.000	0.000	0.000
1079	J	5	THR	0	-0.006	0.000	57.569	0.158	0.158	0.000	0.000	0.000	0.000
1080	J	6	PRO	0	0.028	0.020	57.265	0.141	0.141	0.000	0.000	0.000	0.000
1081	J	7	VAL	0	-0.030	-0.011	58.609	-0.017	-0.017	0.000	0.000	0.000	0.000
1082	J	8	ASN	0	-0.037	-0.027	62.059	0.058	0.058	0.000	0.000	0.000	0.000
1083	J	9	ASN	0	0.021	-0.008	58.343	-0.412	-0.412	0.000	0.000	0.000	0.000
1084	J	10	LYS	1	0.930	1.000	57.894	-20.343	-20.343	0.000	0.000	0.000	0.000
1085	J	11	MET	0	-0.085	-0.035	54.870	-0.342	-0.342	0.000	0.000	0.000	0.000
1086	J	12	PHE	0	-0.030	-0.045	56.134	-0.109	-0.109	0.000	0.000	0.000	0.000
1087	J	13	GLU	-1	-0.762	-0.870	49.952	24.538	24.538	0.000	0.000	0.000	0.000
1088	J	14	THR	0	-0.043	-0.006	50.950	-0.164	-0.164	0.000	0.000	0.000	0.000
1089	J	15	PHE	0	-0.013	-0.013	53.011	-0.350	-0.350	0.000	0.000	0.000	0.000
1090	J	16	SER	0	-0.075	-0.054	55.004	-0.444	-0.444	0.000	0.000	0.000	0.000
1091	J	17	TYR	0	0.033	-0.005	52.925	-0.319	-0.319	0.000	0.000	0.000	0.000
1092	J	18	LEU	0	-0.029	-0.007	55.106	-0.126	-0.126	0.000	0.000	0.000	0.000
1093	J	19	PRO	0	-0.050	-0.033	58.222	-0.220	-0.220	0.000	0.000	0.000	0.000
1094	J	20	PRO	0	-0.032	-0.020	61.599	0.136	0.136	0.000	0.000	0.000	0.000
1095	J	21	LEU	0	0.033	0.032	59.354	-0.138	-0.138	0.000	0.000	0.000	0.000
1096	J	22	THR	0	-0.012	-0.003	63.431	-0.312	-0.312	0.000	0.000	0.000	0.000
1097	J	23	ASP	-1	-0.872	-0.950	65.539	18.140	18.140	0.000	0.000	0.000	0.000
1098	J	24	GLU	-1	-0.977	-0.985	65.870	18.589	18.589	0.000	0.000	0.000	0.000
1099	J	25	GLN	0	0.066	0.031	61.970	0.052	0.052	0.000	0.000	0.000	0.000
1100	J	26	ILE	0	-0.013	-0.011	61.725	0.390	0.390	0.000	0.000	0.000	0.000
1101	J	27	ALA	0	-0.012	-0.015	62.265	0.268	0.268	0.000	0.000	0.000	0.000
1102	J	28	ALA	0	0.064	0.043	60.764	0.161	0.161	0.000	0.000	0.000	0.000
1103	J	29	GLN	0	0.031	0.019	56.349	0.738	0.738	0.000	0.000	0.000	0.000
1104	J	30	VAL	0	-0.055	-0.028	58.150	0.318	0.318	0.000	0.000	0.000	0.000
1105	J	31	ASP	-1	-0.886	-0.952	59.944	19.942	19.942	0.000	0.000	0.000	0.000
1106	J	32	TYR	0	-0.011	0.007	50.210	0.316	0.316	0.000	0.000	0.000	0.000
1107	J	33	ILE	0	-0.018	-0.012	55.334	0.382	0.382	0.000	0.000	0.000	0.000
1108	J	34	VAL	0	-0.035	-0.020	55.933	0.211	0.211	0.000	0.000	0.000	0.000
1109	J	35	ALA	0	-0.049	-0.025	56.273	0.115	0.115	0.000	0.000	0.000	0.000
1110	J	36	ASN	0	-0.059	-0.033	51.227	0.594	0.594	0.000	0.000	0.000	0.000
1111	J	37	GLY	0	-0.053	-0.004	52.382	0.361	0.361	0.000	0.000	0.000	0.000
1112	J	38	TRP	0	0.000	0.006	48.834	-0.004	-0.004	0.000	0.000	0.000	0.000
1113	J	39	ILE	0	-0.039	-0.028	53.070	-0.510	-0.510	0.000	0.000	0.000	0.000
1114	J	40	PRO	0	0.032	0.033	55.871	0.183	0.183	0.000	0.000	0.000	0.000
1115	J	41	CYS	0	-0.026	-0.010	57.575	-0.181	-0.181	0.000	0.000	0.000	0.000
1116	J	42	LEU	0	0.003	0.022	59.320	0.046	0.046	0.000	0.000	0.000	0.000
1117	J	43	GLU	-1	-0.844	-0.912	56.280	22.079	22.079	0.000	0.000	0.000	0.000
1118	J	44	PHE	0	-0.015	-0.027	60.772	-0.151	-0.151	0.000	0.000	0.000	0.000
1119	J	45	ALA	0	0.046	0.024	61.326	0.137	0.137	0.000	0.000	0.000	0.000
1120	J	46	GLU	-1	-0.906	-0.952	63.450	18.424	18.424	0.000	0.000	0.000	0.000
1121	J	47	ALA	0	0.009	-0.024	64.156	0.295	0.295	0.000	0.000	0.000	0.000
1122	J	48	ASP	-1	-0.908	-0.946	63.625	18.929	18.929	0.000	0.000	0.000	0.000
1123	J	49	LYS	1	0.881	0.942	61.080	-19.681	-19.681	0.000	0.000	0.000	0.000
1124	J	50	ALA	0	-0.019	0.012	59.897	0.302	0.302	0.000	0.000	0.000	0.000
1125	J	51	TYR	0	0.011	-0.008	56.877	0.380	0.380	0.000	0.000	0.000	0.000
1126	J	52	VAL	0	-0.005	0.010	51.376	-0.102	-0.102	0.000	0.000	0.000	0.000
1127	J	53	SER	0	-0.098	-0.117	54.585	-0.152	-0.152	0.000	0.000	0.000	0.000
1128	J	54	ASN	0	0.033	0.000	51.606	0.664	0.664	0.000	0.000	0.000	0.000
1129	J	55	GLU	-1	-0.810	-0.832	54.062	21.441	21.441	0.000	0.000	0.000	0.000
1130	J	56	SER	0	-0.048	-0.059	54.365	-0.235	-0.235	0.000	0.000	0.000	0.000
1131	J	57	ALA	0	-0.001	-0.002	51.175	0.137	0.137	0.000	0.000	0.000	0.000
1132	J	58	ILE	0	-0.049	-0.012	52.697	0.171	0.171	0.000	0.000	0.000	0.000
1133	J	59	ARG	1	0.894	0.943	54.346	-21.755	-21.755	0.000	0.000	0.000	0.000
1134	J	60	PHE	0	-0.060	-0.010	48.903	0.199	0.199	0.000	0.000	0.000	0.000
1135	J	61	GLY	0	0.057	0.033	47.535	-0.168	-0.168	0.000	0.000	0.000	0.000
1136	J	62	SER	0	0.012	-0.005	43.622	-0.333	-0.333	0.000	0.000	0.000	0.000
1137	J	63	VAL	0	-0.037	-0.041	43.063	0.776	0.776	0.000	0.000	0.000	0.000
1138	J	64	SER	0	0.043	0.022	44.856	-0.033	-0.033	0.000	0.000	0.000	0.000
1139	J	65	CYS	0	-0.028	0.020	41.364	-0.185	-0.185	0.000	0.000	0.000	0.000
1140	J	66	LEU	0	-0.014	0.003	40.456	0.011	0.011	0.000	0.000	0.000	0.000
1141	J	67	TYR	0	-0.107	-0.044	44.559	-0.106	-0.106	0.000	0.000	0.000	0.000
1142	J	68	TYR	0	0.039	-0.002	46.033	0.088	0.088	0.000	0.000	0.000	0.000
1143	J	69	ASP	-1	-0.769	-0.841	50.965	22.487	22.487	0.000	0.000	0.000	0.000
1144	J	70	ASN	0	-0.010	-0.031	54.584	-0.031	-0.031	0.000	0.000	0.000	0.000
1145	J	71	ARG	1	0.865	0.939	46.935	-25.233	-25.233	0.000	0.000	0.000	0.000
1146	J	72	TYR	0	-0.005	-0.003	50.637	-0.046	-0.046	0.000	0.000	0.000	0.000
1147	J	73	TRP	0	-0.020	-0.003	55.409	-0.388	-0.388	0.000	0.000	0.000	0.000
1148	J	74	THR	0	-0.029	-0.010	58.694	0.125	0.125	0.000	0.000	0.000	0.000
1149	J	75	MET	0	0.017	0.019	57.446	-0.092	-0.092	0.000	0.000	0.000	0.000
1150	J	76	TRP	0	-0.032	-0.034	61.273	-0.459	-0.459	0.000	0.000	0.000	0.000
1151	J	77	LYS	1	0.803	0.905	63.484	-17.991	-17.991	0.000	0.000	0.000	0.000
1152	J	78	LEU	0	0.033	0.007	60.538	0.194	0.194	0.000	0.000	0.000	0.000
1153	J	79	PRO	0	0.032	0.007	56.997	-0.155	-0.155	0.000	0.000	0.000	0.000
1154	J	80	MET	0	-0.046	-0.011	59.477	-0.176	-0.176	0.000	0.000	0.000	0.000
1155	J	81	PHE	0	0.032	-0.007	55.240	0.144	0.144	0.000	0.000	0.000	0.000
1156	J	82	GLY	0	-0.002	-0.001	58.566	-0.322	-0.322	0.000	0.000	0.000	0.000
1157	J	83	CYS	0	-0.077	-0.013	60.260	-0.349	-0.349	0.000	0.000	0.000	0.000
1158	J	84	ARG	1	0.990	0.982	58.286	-20.566	-20.566	0.000	0.000	0.000	0.000
1159	J	85	ASP	-1	-0.872	-0.943	62.224	18.335	18.335	0.000	0.000	0.000	0.000
1160	J	86	PRO	0	0.138	0.057	63.453	-0.043	-0.043	0.000	0.000	0.000	0.000
1161	J	87	MET	0	0.009	-0.003	64.671	-0.078	-0.078	0.000	0.000	0.000	0.000
1162	J	88	GLN	0	-0.055	-0.031	65.949	-0.129	-0.129	0.000	0.000	0.000	0.000
1163	J	89	VAL	0	0.032	0.017	61.961	-0.097	-0.097	0.000	0.000	0.000	0.000
1164	J	90	LEU	0	0.036	0.013	65.050	-0.088	-0.088	0.000	0.000	0.000	0.000
1165	J	91	ARG	1	0.921	0.954	67.444	-17.880	-17.880	0.000	0.000	0.000	0.000
1166	J	92	GLU	-1	-0.795	-0.887	66.001	18.081	18.081	0.000	0.000	0.000	0.000
1167	J	93	ILE	0	0.028	0.023	63.740	-0.051	-0.051	0.000	0.000	0.000	0.000
1168	J	94	VAL	0	-0.003	0.010	67.287	-0.153	-0.153	0.000	0.000	0.000	0.000
1169	J	95	ALA	0	-0.038	-0.025	70.348	-0.206	-0.206	0.000	0.000	0.000	0.000
1170	J	96	CYS	0	-0.037	-0.001	66.652	-0.082	-0.082	0.000	0.000	0.000	0.000
1171	J	97	THR	0	0.021	-0.012	67.974	-0.168	-0.168	0.000	0.000	0.000	0.000
1172	J	98	LYS	1	0.910	0.965	70.212	-16.419	-16.419	0.000	0.000	0.000	0.000
1173	J	99	ALA	0	-0.068	-0.029	71.319	-0.232	-0.232	0.000	0.000	0.000	0.000
1174	J	100	PHE	0	-0.001	-0.004	69.076	-0.095	-0.095	0.000	0.000	0.000	0.000
1175	J	101	PRO	0	0.012	0.015	70.102	0.233	0.233	0.000	0.000	0.000	0.000
1176	J	102	ASP	-1	-0.971	-0.987	71.257	17.004	17.004	0.000	0.000	0.000	0.000
1177	J	103	ALA	0	-0.038	-0.013	66.424	0.150	0.150	0.000	0.000	0.000	0.000
1178	J	104	TYR	0	0.020	-0.001	62.455	-0.113	-0.113	0.000	0.000	0.000	0.000
1179	J	105	VAL	0	0.004	-0.002	63.311	0.058	0.058	0.000	0.000	0.000	0.000
1180	J	106	ARG	1	0.842	0.924	55.414	-22.031	-22.031	0.000	0.000	0.000	0.000
1181	J	107	LEU	0	-0.011	0.001	58.846	-0.191	-0.191	0.000	0.000	0.000	0.000
1182	J	108	VAL	0	0.021	0.014	54.502	0.279	0.279	0.000	0.000	0.000	0.000
1183	J	109	ALA	0	0.032	-0.002	53.847	-0.370	-0.370	0.000	0.000	0.000	0.000
1184	J	110	PHE	0	-0.023	-0.012	51.179	0.435	0.435	0.000	0.000	0.000	0.000
1185	J	111	ASP	-1	-0.775	-0.885	46.654	25.825	25.825	0.000	0.000	0.000	0.000
1186	J	112	ASN	0	-0.031	-0.040	48.223	0.272	0.272	0.000	0.000	0.000	0.000
1187	J	113	GLN	0	-0.035	-0.007	44.845	-0.198	-0.198	0.000	0.000	0.000	0.000
1188	J	114	LYS	1	0.942	0.977	41.733	-27.728	-27.728	0.000	0.000	0.000	0.000
1189	J	115	GLN	0	-0.053	-0.016	43.562	0.683	0.683	0.000	0.000	0.000	0.000
1190	J	116	VAL	0	0.032	0.014	44.563	0.285	0.285	0.000	0.000	0.000	0.000
1191	J	117	GLN	0	-0.018	-0.011	46.928	-0.527	-0.527	0.000	0.000	0.000	0.000
1192	J	118	ILE	0	-0.021	-0.013	46.421	0.493	0.493	0.000	0.000	0.000	0.000
1193	J	119	MET	0	-0.020	-0.017	49.239	-0.027	-0.027	0.000	0.000	0.000	0.000
1194	J	120	GLY	0	0.077	0.025	51.995	-0.125	-0.125	0.000	0.000	0.000	0.000
1195	J	121	PHE	0	-0.023	0.000	54.486	0.132	0.132	0.000	0.000	0.000	0.000
1196	J	122	LEU	0	-0.036	-0.014	57.092	-0.270	-0.270	0.000	0.000	0.000	0.000
1197	J	123	VAL	0	-0.018	-0.014	60.171	-0.086	-0.086	0.000	0.000	0.000	0.000
1198	J	124	GLN	0	-0.045	-0.028	63.512	-0.506	-0.506	0.000	0.000	0.000	0.000
1199	J	125	ARG	1	0.947	0.993	61.556	-19.324	-19.324	0.000	0.000	0.000	0.000
1200	J	126	PRO	0	0.046	0.040	66.036	-0.290	-0.290	0.000	0.000	0.000	0.000
1201	J	127	LYS	1	1.002	0.978	69.153	-16.788	-16.788	0.000	0.000	0.000	0.000
1202	J	128	THR	0	0.003	-0.003	71.312	-0.026	-0.026	0.000	0.000	0.000	0.000
1203	J	129	ALA	0	0.016	0.018	66.189	-0.035	-0.035	0.000	0.000	0.000	0.000
1204	J	130	ARG	1	0.847	0.918	68.011	-17.406	-17.406	0.000	0.000	0.000	0.000
1205	J	131	ASP	-1	-0.876	-0.942	63.038	19.472	19.472	0.000	0.000	0.000	0.000
1206	J	132	PHE	0	0.008	0.010	62.520	0.345	0.345	0.000	0.000	0.000	0.000
1207	J	133	GLN	0	0.018	-0.002	62.211	-0.565	-0.565	0.000	0.000	0.000	0.000
1208	J	134	PRO	0	-0.012	0.002	63.214	0.207	0.207	0.000	0.000	0.000	0.000
1209	J	135	ALA	0	0.081	0.017	61.600	0.066	0.066	0.000	0.000	0.000	0.000
1210	J	136	ASN	0	-0.042	-0.015	62.060	0.213	0.213	0.000	0.000	0.000	0.000
1211	J	137	LYS	1	0.893	0.945	64.306	-18.415	-18.415	0.000	0.000	0.000	0.000
1212	J	138	ARG	1	0.853	0.958	58.425	-20.721	-20.721	0.000	0.000	0.000	0.000
1213	J	139	SER	0	-0.010	-0.022	58.908	0.160	0.160	0.000	0.000	0.000	0.000
1214	J	140	VAL	0	-0.057	-0.012	60.871	-0.402	-0.402	0.000	0.000	0.000	0.000
1216	B	477	CAP	-4	-3.149	-3.563	28.301	140.894	140.894	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1215(A:477:CAP)