FMO DATABASE

FMODB ID: 2LN7R

Calculation Name: 1F1S-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1F1S

Chain ID: A

ChEMBL ID:

UniProt ID: Q53591

Base Structure: X-ray

Registration Date: 2023-09-27

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	814
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22079891.675038
FMO2-HF: Nuclear repulsion	21757017.857981
FMO2-HF: Total energy	-322873.817057
FMO2-MP2: Total energy	-323825.071123

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

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

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

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.
-0.924	-5.072	15.026	-4.676	-6.203	-0.019

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.002 / q_NPA : -0.014

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	173	HIS	0	-0.030	-0.028	2.329	-1.997	-6.297	15.027	-4.661	-6.067	-0.019
4	A	174	PRO	0	-0.034	-0.019	4.992	0.549	0.701	-0.001	-0.015	-0.136	0.000
5	A	175	GLN	0	0.023	0.036	7.411	0.680	0.680	0.000	0.000	0.000	0.000
6	A	176	PRO	0	-0.027	-0.010	10.464	0.161	0.161	0.000	0.000	0.000	0.000
7	A	177	VAL	0	0.026	0.027	13.951	-0.086	-0.086	0.000	0.000	0.000	0.000
8	A	178	THR	0	-0.036	-0.015	16.142	0.077	0.077	0.000	0.000	0.000	0.000
9	A	179	THR	0	0.047	0.026	18.670	0.016	0.016	0.000	0.000	0.000	0.000
10	A	180	GLN	0	0.032	-0.002	22.203	0.001	0.001	0.000	0.000	0.000	0.000
11	A	181	ILE	0	0.022	0.013	25.501	0.007	0.007	0.000	0.000	0.000	0.000
12	A	182	GLU	-1	-0.783	-0.850	28.880	-0.245	-0.245	0.000	0.000	0.000	0.000
13	A	183	LYS	1	0.945	0.948	27.806	0.320	0.320	0.000	0.000	0.000	0.000
14	A	184	SER	0	-0.005	-0.006	32.359	0.015	0.015	0.000	0.000	0.000	0.000
15	A	185	VAL	0	0.021	0.024	32.510	-0.014	-0.014	0.000	0.000	0.000	0.000
16	A	186	ASN	0	0.042	0.026	33.590	0.018	0.018	0.000	0.000	0.000	0.000
17	A	187	THR	0	-0.021	-0.006	33.779	-0.013	-0.013	0.000	0.000	0.000	0.000
18	A	188	ALA	0	0.037	0.046	35.623	0.007	0.007	0.000	0.000	0.000	0.000
19	A	189	LEU	0	0.017	-0.009	37.634	0.000	0.000	0.000	0.000	0.000	0.000
20	A	190	ASN	0	0.039	0.022	37.364	-0.001	-0.001	0.000	0.000	0.000	0.000
21	A	191	LYS	1	0.765	0.897	31.378	0.148	0.148	0.000	0.000	0.000	0.000
22	A	192	ASN	0	-0.010	-0.011	34.222	0.003	0.003	0.000	0.000	0.000	0.000
23	A	193	TYR	0	-0.034	-0.046	30.011	-0.011	-0.011	0.000	0.000	0.000	0.000
24	A	194	VAL	0	0.010	0.008	28.759	0.010	0.010	0.000	0.000	0.000	0.000
25	A	195	PHE	0	0.006	0.009	29.473	-0.015	-0.015	0.000	0.000	0.000	0.000
26	A	196	ASN	0	0.013	-0.009	26.231	-0.002	-0.002	0.000	0.000	0.000	0.000
27	A	197	LYS	1	0.810	0.917	23.413	0.338	0.338	0.000	0.000	0.000	0.000
28	A	198	ALA	0	0.057	0.056	28.303	0.016	0.016	0.000	0.000	0.000	0.000
29	A	199	ASP	-1	-0.923	-0.963	30.258	-0.161	-0.161	0.000	0.000	0.000	0.000
30	A	200	TYR	0	-0.050	-0.009	30.290	-0.002	-0.002	0.000	0.000	0.000	0.000
31	A	201	GLN	0	-0.015	-0.014	34.887	0.002	0.002	0.000	0.000	0.000	0.000
32	A	202	TYR	0	-0.024	-0.058	31.820	-0.008	-0.008	0.000	0.000	0.000	0.000
33	A	203	THR	0	-0.008	-0.010	38.624	0.009	0.009	0.000	0.000	0.000	0.000
34	A	204	LEU	0	-0.016	-0.005	40.123	-0.006	-0.006	0.000	0.000	0.000	0.000
35	A	205	THR	0	-0.021	-0.031	43.207	0.006	0.006	0.000	0.000	0.000	0.000
36	A	206	ASN	0	0.048	0.036	45.620	0.009	0.009	0.000	0.000	0.000	0.000
37	A	207	PRO	0	0.009	-0.012	45.831	-0.003	-0.003	0.000	0.000	0.000	0.000
38	A	208	SER	0	-0.039	-0.016	46.726	0.001	0.001	0.000	0.000	0.000	0.000
39	A	209	LEU	0	0.006	0.004	43.646	0.001	0.001	0.000	0.000	0.000	0.000
40	A	210	GLY	0	0.058	0.023	42.614	-0.003	-0.003	0.000	0.000	0.000	0.000
41	A	211	LYS	1	0.923	0.974	42.710	0.079	0.079	0.000	0.000	0.000	0.000
42	A	212	ILE	0	0.016	0.010	38.001	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	213	VAL	0	-0.049	-0.033	38.603	0.008	0.008	0.000	0.000	0.000	0.000
44	A	214	GLY	0	0.003	0.013	36.671	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	215	GLY	0	0.026	-0.011	33.290	-0.003	-0.003	0.000	0.000	0.000	0.000
46	A	216	ILE	0	-0.044	-0.023	32.132	-0.013	-0.013	0.000	0.000	0.000	0.000
47	A	217	LEU	0	-0.034	-0.015	34.951	0.009	0.009	0.000	0.000	0.000	0.000
48	A	218	TYR	0	0.010	0.015	36.178	-0.003	-0.003	0.000	0.000	0.000	0.000
49	A	219	PRO	0	-0.046	-0.017	38.257	0.006	0.006	0.000	0.000	0.000	0.000
50	A	220	ASN	0	-0.054	-0.019	41.411	0.007	0.007	0.000	0.000	0.000	0.000
51	A	221	ALA	0	-0.006	-0.011	44.784	0.004	0.004	0.000	0.000	0.000	0.000
52	A	222	THR	0	-0.010	-0.001	43.744	-0.004	-0.004	0.000	0.000	0.000	0.000
53	A	223	GLY	0	0.033	0.014	43.819	0.005	0.005	0.000	0.000	0.000	0.000
54	A	224	SER	0	-0.022	-0.019	42.956	-0.009	-0.009	0.000	0.000	0.000	0.000
55	A	225	THR	0	-0.007	-0.007	42.370	0.007	0.007	0.000	0.000	0.000	0.000
56	A	226	THR	0	-0.023	0.015	40.979	-0.005	-0.005	0.000	0.000	0.000	0.000
57	A	227	VAL	0	0.002	0.008	36.794	0.006	0.006	0.000	0.000	0.000	0.000
58	A	228	LYS	1	0.959	0.976	39.008	0.102	0.102	0.000	0.000	0.000	0.000
59	A	229	ILE	0	0.007	-0.006	33.724	0.002	0.002	0.000	0.000	0.000	0.000
60	A	230	SER	0	0.039	0.016	37.524	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	231	ASP	-1	-0.744	-0.839	36.624	-0.134	-0.134	0.000	0.000	0.000	0.000
62	A	232	LYS	1	1.004	0.988	37.953	0.104	0.104	0.000	0.000	0.000	0.000
63	A	233	SER	0	-0.158	-0.096	40.257	0.007	0.007	0.000	0.000	0.000	0.000
64	A	234	GLY	0	0.030	0.018	41.804	0.005	0.005	0.000	0.000	0.000	0.000
65	A	235	LYS	1	0.931	0.975	38.781	0.138	0.138	0.000	0.000	0.000	0.000
66	A	236	ILE	0	-0.001	-0.014	40.081	-0.005	-0.005	0.000	0.000	0.000	0.000
67	A	237	ILE	0	-0.073	-0.028	33.930	-0.003	-0.003	0.000	0.000	0.000	0.000
68	A	238	LYS	1	0.883	0.932	31.858	0.216	0.216	0.000	0.000	0.000	0.000
69	A	239	GLU	-1	-0.831	-0.887	37.158	-0.120	-0.120	0.000	0.000	0.000	0.000
70	A	240	VAL	0	-0.082	-0.032	34.521	-0.005	-0.005	0.000	0.000	0.000	0.000
71	A	241	PRO	0	0.005	0.008	37.055	0.008	0.008	0.000	0.000	0.000	0.000
72	A	242	LEU	0	-0.004	-0.021	36.780	-0.010	-0.010	0.000	0.000	0.000	0.000
73	A	243	SER	0	-0.030	-0.021	38.209	0.011	0.011	0.000	0.000	0.000	0.000
74	A	244	VAL	0	0.026	0.033	38.494	-0.008	-0.008	0.000	0.000	0.000	0.000
75	A	245	THR	0	0.001	-0.022	37.835	0.007	0.007	0.000	0.000	0.000	0.000
76	A	246	ALA	0	0.055	0.010	40.688	0.003	0.003	0.000	0.000	0.000	0.000
77	A	247	SER	0	0.007	0.012	39.885	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	248	THR	0	0.015	-0.001	35.484	0.004	0.004	0.000	0.000	0.000	0.000
79	A	249	GLU	-1	-0.981	-0.993	38.351	-0.073	-0.073	0.000	0.000	0.000	0.000
80	A	250	ASP	-1	-0.750	-0.883	38.141	-0.095	-0.095	0.000	0.000	0.000	0.000
81	A	251	ASN	0	0.024	-0.011	40.632	0.005	0.005	0.000	0.000	0.000	0.000
82	A	252	PHE	0	-0.018	0.013	35.360	0.004	0.004	0.000	0.000	0.000	0.000
83	A	253	THR	0	0.047	0.003	35.435	0.002	0.002	0.000	0.000	0.000	0.000
84	A	254	LYS	1	0.944	0.994	37.149	0.068	0.068	0.000	0.000	0.000	0.000
85	A	255	LEU	0	0.007	0.004	37.816	0.006	0.006	0.000	0.000	0.000	0.000
86	A	256	LEU	0	-0.054	-0.019	32.202	0.005	0.005	0.000	0.000	0.000	0.000
87	A	257	ASP	-1	-0.894	-0.948	35.618	-0.065	-0.065	0.000	0.000	0.000	0.000
88	A	258	LYS	1	0.951	0.995	37.993	0.033	0.033	0.000	0.000	0.000	0.000
89	A	259	TRP	0	0.029	-0.002	31.219	0.012	0.012	0.000	0.000	0.000	0.000
90	A	260	ASN	0	0.016	0.017	33.576	0.009	0.009	0.000	0.000	0.000	0.000
91	A	261	ASP	-1	-0.909	-0.947	35.927	-0.032	-0.032	0.000	0.000	0.000	0.000
92	A	262	VAL	0	-0.054	-0.041	37.582	0.006	0.006	0.000	0.000	0.000	0.000
93	A	263	THR	0	-0.088	-0.057	33.746	0.006	0.006	0.000	0.000	0.000	0.000
94	A	264	ILE	0	-0.060	-0.028	32.538	0.007	0.007	0.000	0.000	0.000	0.000
95	A	265	GLY	0	0.060	0.022	36.447	0.004	0.004	0.000	0.000	0.000	0.000
96	A	266	ASN	0	-0.016	-0.032	35.715	0.009	0.009	0.000	0.000	0.000	0.000
97	A	267	TYR	0	-0.056	-0.020	39.783	0.002	0.002	0.000	0.000	0.000	0.000
98	A	268	VAL	0	-0.049	-0.008	42.845	0.001	0.001	0.000	0.000	0.000	0.000
99	A	269	TYR	0	-0.005	-0.009	41.538	0.005	0.005	0.000	0.000	0.000	0.000
100	A	270	ASP	-1	-0.874	-0.963	43.976	-0.008	-0.008	0.000	0.000	0.000	0.000
101	A	271	THR	0	0.003	-0.010	46.241	0.002	0.002	0.000	0.000	0.000	0.000
102	A	272	ASN	0	-0.064	-0.020	47.607	0.002	0.002	0.000	0.000	0.000	0.000
103	A	273	ASP	-1	-0.785	-0.879	46.640	0.013	0.013	0.000	0.000	0.000	0.000
104	A	274	SER	0	-0.003	-0.017	46.626	0.001	0.001	0.000	0.000	0.000	0.000
105	A	275	ASN	0	-0.047	-0.035	44.264	0.006	0.006	0.000	0.000	0.000	0.000
106	A	276	MET	0	-0.037	0.020	42.248	0.001	0.001	0.000	0.000	0.000	0.000
107	A	277	GLN	0	0.060	0.013	41.432	-0.003	-0.003	0.000	0.000	0.000	0.000
108	A	278	LYS	1	0.924	0.971	41.632	-0.026	-0.026	0.000	0.000	0.000	0.000
109	A	279	LEU	0	-0.075	-0.021	36.328	0.003	0.003	0.000	0.000	0.000	0.000
110	A	280	ASN	0	0.046	0.002	37.078	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	281	GLN	0	0.021	0.038	37.227	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	282	LYS	1	0.813	0.902	33.902	-0.042	-0.042	0.000	0.000	0.000	0.000
113	A	283	LEU	0	0.014	0.010	31.297	0.004	0.004	0.000	0.000	0.000	0.000
114	A	284	ASP	-1	-0.708	-0.840	32.387	-0.021	-0.021	0.000	0.000	0.000	0.000
115	A	285	GLU	-1	-0.880	-0.932	33.382	0.025	0.025	0.000	0.000	0.000	0.000
116	A	286	THR	0	-0.050	-0.039	28.607	0.006	0.006	0.000	0.000	0.000	0.000
117	A	287	ASN	0	-0.010	-0.024	28.633	0.006	0.006	0.000	0.000	0.000	0.000
118	A	288	ALA	0	-0.017	-0.006	28.708	-0.009	-0.009	0.000	0.000	0.000	0.000
119	A	289	LYN	0	0.023	0.011	28.608	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	290	ASN	0	0.010	0.006	24.506	0.013	0.013	0.000	0.000	0.000	0.000
121	A	291	ILE	0	-0.021	-0.010	24.557	-0.012	-0.012	0.000	0.000	0.000	0.000
122	A	292	GLU	-1	-1.006	-1.004	25.891	-0.020	-0.020	0.000	0.000	0.000	0.000
123	A	293	ALA	0	0.040	0.031	24.059	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	294	ILE	0	-0.104	-0.032	19.735	0.008	0.008	0.000	0.000	0.000	0.000
125	A	295	LYS	1	0.914	0.952	17.442	-0.065	-0.065	0.000	0.000	0.000	0.000
126	A	296	LEU	0	0.014	-0.004	18.713	-0.038	-0.038	0.000	0.000	0.000	0.000
127	A	297	ASP	-1	-0.875	-0.923	16.292	-0.356	-0.356	0.000	0.000	0.000	0.000
128	A	298	SER	0	-0.033	-0.023	16.369	-0.057	-0.057	0.000	0.000	0.000	0.000
129	A	299	ASN	0	-0.007	-0.002	12.464	-0.069	-0.069	0.000	0.000	0.000	0.000
130	A	300	ARG	1	0.887	0.953	11.964	0.379	0.379	0.000	0.000	0.000	0.000
131	A	301	THR	0	0.082	0.030	8.958	-0.094	-0.094	0.000	0.000	0.000	0.000
132	A	302	PHE	0	-0.073	-0.028	10.369	0.107	0.107	0.000	0.000	0.000	0.000
133	A	303	LEU	0	0.043	0.026	13.135	-0.054	-0.054	0.000	0.000	0.000	0.000
134	A	304	TRP	0	0.038	-0.003	16.638	-0.006	-0.006	0.000	0.000	0.000	0.000
135	A	305	LYS	1	0.898	0.940	17.392	-0.293	-0.293	0.000	0.000	0.000	0.000
136	A	306	ASP	-1	-0.816	-0.862	18.383	0.211	0.211	0.000	0.000	0.000	0.000
137	A	307	LEU	0	-0.071	-0.041	16.721	0.018	0.018	0.000	0.000	0.000	0.000
138	A	308	ASP	-1	-0.934	-0.966	14.241	0.552	0.552	0.000	0.000	0.000	0.000
139	A	309	ASN	0	0.086	0.034	9.873	0.272	0.272	0.000	0.000	0.000	0.000
140	A	310	LEU	0	0.008	-0.002	9.932	-0.007	-0.007	0.000	0.000	0.000	0.000
141	A	311	ASN	0	0.032	0.020	4.873	-0.718	-0.718	0.000	0.000	0.000	0.000
142	A	312	ASN	0	-0.061	-0.007	8.816	-0.052	-0.052	0.000	0.000	0.000	0.000
143	A	313	SER	0	0.026	-0.040	12.391	-0.104	-0.104	0.000	0.000	0.000	0.000
144	A	314	ALA	0	0.018	0.021	13.965	-0.091	-0.091	0.000	0.000	0.000	0.000
145	A	315	GLN	0	0.005	0.001	14.302	-0.089	-0.089	0.000	0.000	0.000	0.000
146	A	316	LEU	0	0.027	0.045	12.066	-0.072	-0.072	0.000	0.000	0.000	0.000
147	A	317	THR	0	-0.022	-0.048	14.853	-0.082	-0.082	0.000	0.000	0.000	0.000
148	A	318	ALA	0	-0.068	-0.034	18.312	-0.038	-0.038	0.000	0.000	0.000	0.000
149	A	319	THR	0	0.014	-0.012	15.977	-0.026	-0.026	0.000	0.000	0.000	0.000
150	A	320	TYR	0	0.024	-0.006	15.228	-0.045	-0.045	0.000	0.000	0.000	0.000
151	A	321	ARG	1	0.965	0.981	19.735	-0.109	-0.109	0.000	0.000	0.000	0.000
152	A	322	ARG	1	0.796	0.881	21.578	-0.109	-0.109	0.000	0.000	0.000	0.000
153	A	323	LEU	0	-0.016	-0.004	19.185	-0.012	-0.012	0.000	0.000	0.000	0.000
154	A	324	GLU	-1	-0.846	-0.915	23.527	-0.020	-0.020	0.000	0.000	0.000	0.000
155	A	325	ASP	-1	-0.880	-0.960	25.802	0.016	0.016	0.000	0.000	0.000	0.000
156	A	326	LEU	0	-0.041	-0.002	25.048	-0.002	-0.002	0.000	0.000	0.000	0.000
157	A	327	ALA	0	0.031	0.009	27.493	-0.004	-0.004	0.000	0.000	0.000	0.000
158	A	328	LYS	1	0.863	0.953	29.306	-0.006	-0.006	0.000	0.000	0.000	0.000
159	A	329	GLN	0	0.044	-0.002	31.887	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	330	ILE	0	0.002	0.016	29.010	-0.003	-0.003	0.000	0.000	0.000	0.000
161	A	331	THR	0	-0.054	-0.037	32.793	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	332	ASN	0	-0.030	-0.011	35.308	0.001	0.001	0.000	0.000	0.000	0.000
163	A	333	PRO	0	-0.021	-0.042	37.751	0.000	0.000	0.000	0.000	0.000	0.000
164	A	334	HIS	0	0.008	0.006	40.628	0.001	0.001	0.000	0.000	0.000	0.000
165	A	335	SER	0	-0.011	0.032	35.754	0.003	0.003	0.000	0.000	0.000	0.000
166	A	336	THR	0	-0.044	-0.037	36.722	-0.005	-0.005	0.000	0.000	0.000	0.000
167	A	337	ILE	0	-0.060	-0.040	31.084	-0.007	-0.007	0.000	0.000	0.000	0.000
168	A	338	TYR	0	0.024	0.038	34.277	-0.010	-0.010	0.000	0.000	0.000	0.000
169	A	339	LYS	1	0.887	0.938	35.066	0.068	0.068	0.000	0.000	0.000	0.000
170	A	340	ASN	0	0.012	0.023	32.326	-0.012	-0.012	0.000	0.000	0.000	0.000
171	A	341	GLU	-1	-0.705	-0.827	31.392	-0.148	-0.148	0.000	0.000	0.000	0.000
172	A	342	LYS	1	0.981	0.998	26.231	0.109	0.109	0.000	0.000	0.000	0.000
173	A	343	ALA	0	0.030	0.021	27.846	-0.010	-0.010	0.000	0.000	0.000	0.000
174	A	344	ILE	0	0.031	0.007	27.267	-0.008	-0.008	0.000	0.000	0.000	0.000
175	A	345	ARG	1	0.771	0.859	26.159	0.183	0.183	0.000	0.000	0.000	0.000
176	A	346	THR	0	-0.002	0.008	23.023	-0.023	-0.023	0.000	0.000	0.000	0.000
177	A	347	VAL	0	-0.001	0.011	22.362	-0.015	-0.015	0.000	0.000	0.000	0.000
178	A	348	LYS	1	0.811	0.892	22.136	0.204	0.204	0.000	0.000	0.000	0.000
179	A	349	GLU	-1	-0.942	-0.977	20.486	-0.295	-0.295	0.000	0.000	0.000	0.000
180	A	350	SER	0	-0.031	-0.038	18.040	-0.056	-0.056	0.000	0.000	0.000	0.000
181	A	351	LEU	0	-0.015	0.000	17.137	-0.024	-0.024	0.000	0.000	0.000	0.000
182	A	352	ALA	0	0.022	0.022	17.272	-0.041	-0.041	0.000	0.000	0.000	0.000
183	A	353	TRP	0	-0.011	-0.019	11.272	-0.044	-0.044	0.000	0.000	0.000	0.000
184	A	354	LEU	0	-0.010	-0.008	12.907	-0.121	-0.121	0.000	0.000	0.000	0.000
185	A	355	HIS	0	-0.036	0.006	12.676	-0.084	-0.084	0.000	0.000	0.000	0.000
186	A	356	GLN	0	-0.019	-0.015	10.947	0.078	0.078	0.000	0.000	0.000	0.000
187	A	357	ASN	0	-0.035	-0.017	8.467	-0.654	-0.654	0.000	0.000	0.000	0.000
188	A	358	PHE	0	-0.031	-0.035	7.042	-0.287	-0.287	0.000	0.000	0.000	0.000
189	A	359	TYR	0	-0.040	-0.018	9.775	0.114	0.114	0.000	0.000	0.000	0.000
190	A	360	ASN	0	0.036	-0.012	10.451	0.031	0.031	0.000	0.000	0.000	0.000
191	A	361	VAL	0	0.026	-0.010	13.460	0.025	0.025	0.000	0.000	0.000	0.000
192	A	362	ASN	0	-0.048	-0.001	11.015	0.118	0.118	0.000	0.000	0.000	0.000
193	A	363	LYS	1	0.876	0.963	6.160	1.701	1.701	0.000	0.000	0.000	0.000
194	A	364	ASP	-1	-0.842	-0.920	9.979	-0.123	-0.123	0.000	0.000	0.000	0.000
195	A	365	ILE	0	-0.094	-0.048	10.872	0.081	0.081	0.000	0.000	0.000	0.000
196	A	366	GLU	-1	-0.854	-0.940	7.759	0.868	0.868	0.000	0.000	0.000	0.000
197	A	367	GLY	0	-0.007	0.001	11.203	-0.059	-0.059	0.000	0.000	0.000	0.000
198	A	368	SER	0	-0.066	-0.033	10.619	-0.102	-0.102	0.000	0.000	0.000	0.000
199	A	369	ALA	0	-0.039	-0.008	11.799	-0.062	-0.062	0.000	0.000	0.000	0.000
200	A	370	ASN	0	0.014	-0.001	13.647	-0.065	-0.065	0.000	0.000	0.000	0.000
201	A	371	TRP	0	0.098	0.026	17.198	-0.035	-0.035	0.000	0.000	0.000	0.000
202	A	372	TRP	0	-0.002	0.008	18.475	-0.043	-0.043	0.000	0.000	0.000	0.000
203	A	373	ASP	-1	-0.762	-0.843	16.714	0.243	0.243	0.000	0.000	0.000	0.000
204	A	374	PHE	0	0.046	0.024	11.006	-0.019	-0.019	0.000	0.000	0.000	0.000
205	A	375	GLU	-1	-0.790	-0.883	17.102	0.032	0.032	0.000	0.000	0.000	0.000
206	A	376	ILE	0	-0.026	-0.009	20.660	-0.020	-0.020	0.000	0.000	0.000	0.000
207	A	377	GLY	0	-0.042	-0.029	20.910	-0.017	-0.017	0.000	0.000	0.000	0.000
208	A	378	VAL	0	0.019	0.005	16.072	-0.016	-0.016	0.000	0.000	0.000	0.000
209	A	379	PRO	0	0.002	0.017	19.229	-0.025	-0.025	0.000	0.000	0.000	0.000
210	A	380	ARG	1	0.913	0.970	21.825	-0.047	-0.047	0.000	0.000	0.000	0.000
211	A	381	SER	0	-0.058	-0.016	21.636	-0.010	-0.010	0.000	0.000	0.000	0.000
212	A	382	ILE	0	-0.002	-0.001	18.183	-0.012	-0.012	0.000	0.000	0.000	0.000
213	A	383	THR	0	-0.024	-0.034	22.698	-0.009	-0.009	0.000	0.000	0.000	0.000
214	A	384	GLY	0	0.023	0.020	25.978	-0.003	-0.003	0.000	0.000	0.000	0.000
215	A	385	THR	0	0.024	-0.004	24.365	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	386	LEU	0	-0.060	-0.031	23.262	-0.007	-0.007	0.000	0.000	0.000	0.000
217	A	387	SER	0	0.019	0.016	27.185	-0.004	-0.004	0.000	0.000	0.000	0.000
218	A	388	LEU	0	-0.010	0.009	29.549	0.001	0.001	0.000	0.000	0.000	0.000
219	A	389	MET	0	-0.064	-0.020	27.916	0.002	0.002	0.000	0.000	0.000	0.000
220	A	390	ASN	0	0.099	0.058	30.261	-0.022	-0.022	0.000	0.000	0.000	0.000
221	A	391	ASN	0	-0.038	-0.029	31.587	-0.015	-0.015	0.000	0.000	0.000	0.000
222	A	392	TYR	0	0.052	0.003	29.916	0.001	0.001	0.000	0.000	0.000	0.000
223	A	393	PHE	0	-0.001	0.002	23.633	-0.020	-0.020	0.000	0.000	0.000	0.000
224	A	394	THR	0	0.022	0.010	27.229	0.013	0.013	0.000	0.000	0.000	0.000
225	A	395	ASP	-1	-0.773	-0.915	27.939	-0.159	-0.159	0.000	0.000	0.000	0.000
226	A	396	ALA	0	-0.024	-0.010	26.183	-0.004	-0.004	0.000	0.000	0.000	0.000
227	A	397	GLU	-1	-0.825	-0.908	23.592	-0.277	-0.277	0.000	0.000	0.000	0.000
228	A	398	ILE	0	0.045	0.026	23.187	-0.016	-0.016	0.000	0.000	0.000	0.000
229	A	399	LYS	1	0.908	0.987	24.268	0.268	0.268	0.000	0.000	0.000	0.000
230	A	400	THR	0	0.009	0.007	19.166	-0.011	-0.011	0.000	0.000	0.000	0.000
231	A	401	TYR	0	-0.003	-0.020	18.806	-0.037	-0.037	0.000	0.000	0.000	0.000
232	A	402	THR	0	-0.011	-0.025	19.871	0.018	0.018	0.000	0.000	0.000	0.000
233	A	403	ASP	-1	-0.805	-0.895	19.953	-0.280	-0.280	0.000	0.000	0.000	0.000
234	A	404	PRO	0	-0.035	-0.014	16.047	0.012	0.012	0.000	0.000	0.000	0.000
235	A	405	ILE	0	-0.005	0.003	18.035	0.037	0.037	0.000	0.000	0.000	0.000
236	A	406	GLU	-1	-0.862	-0.878	20.763	-0.093	-0.093	0.000	0.000	0.000	0.000
237	A	407	HIS	0	-0.017	-0.003	14.856	0.011	0.011	0.000	0.000	0.000	0.000
238	A	408	PHE	0	-0.018	-0.015	13.073	0.036	0.036	0.000	0.000	0.000	0.000
239	A	409	VAL	0	-0.069	-0.027	19.183	0.037	0.037	0.000	0.000	0.000	0.000
240	A	410	PRO	0	0.020	0.018	22.048	-0.003	-0.003	0.000	0.000	0.000	0.000
241	A	411	ASP	-1	-0.861	-0.942	24.864	-0.018	-0.018	0.000	0.000	0.000	0.000
242	A	412	ALA	0	0.047	0.013	27.758	0.012	0.012	0.000	0.000	0.000	0.000
243	A	413	GLU	-1	-0.893	-0.938	29.821	0.007	0.007	0.000	0.000	0.000	0.000
244	A	414	TYR	0	-0.099	-0.046	27.341	0.012	0.012	0.000	0.000	0.000	0.000
245	A	415	PHE	0	0.040	0.028	24.078	-0.008	-0.008	0.000	0.000	0.000	0.000
246	A	416	ARG	1	0.819	0.882	21.145	-0.164	-0.164	0.000	0.000	0.000	0.000
247	A	417	LYS	1	0.899	0.956	22.204	0.009	0.009	0.000	0.000	0.000	0.000
248	A	418	THR	0	0.006	0.023	17.157	0.009	0.009	0.000	0.000	0.000	0.000
249	A	419	LEU	0	0.004	0.004	16.813	0.024	0.024	0.000	0.000	0.000	0.000
250	A	420	VAL	0	0.041	0.011	20.096	-0.023	-0.023	0.000	0.000	0.000	0.000
251	A	421	ASN	0	-0.022	-0.012	22.372	-0.020	-0.020	0.000	0.000	0.000	0.000
252	A	422	PRO	0	0.049	0.037	24.419	0.007	0.007	0.000	0.000	0.000	0.000
253	A	423	PHE	0	-0.076	-0.043	24.943	0.004	0.004	0.000	0.000	0.000	0.000
254	A	424	LYS	1	0.969	0.982	28.617	-0.027	-0.027	0.000	0.000	0.000	0.000
255	A	425	ALA	0	-0.034	-0.007	29.384	0.009	0.009	0.000	0.000	0.000	0.000
256	A	426	LEU	0	0.043	-0.004	30.957	-0.008	-0.008	0.000	0.000	0.000	0.000
257	A	427	GLY	0	0.062	0.024	33.224	0.007	0.007	0.000	0.000	0.000	0.000
258	A	428	GLY	0	0.048	0.011	33.460	-0.006	-0.006	0.000	0.000	0.000	0.000
259	A	429	ASN	0	0.035	0.017	28.521	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	430	LEU	0	-0.034	0.014	30.028	-0.006	-0.006	0.000	0.000	0.000	0.000
261	A	431	VAL	0	-0.006	0.003	32.461	-0.009	-0.009	0.000	0.000	0.000	0.000
262	A	432	ASP	-1	-0.930	-0.976	27.860	0.050	0.050	0.000	0.000	0.000	0.000
263	A	433	MET	0	-0.033	0.005	26.607	-0.014	-0.014	0.000	0.000	0.000	0.000
264	A	434	GLY	0	0.024	0.005	29.172	-0.013	-0.013	0.000	0.000	0.000	0.000
265	A	435	ARG	1	0.909	0.946	29.587	-0.037	-0.037	0.000	0.000	0.000	0.000
266	A	436	VAL	0	-0.012	0.001	24.542	-0.008	-0.008	0.000	0.000	0.000	0.000
267	A	437	LYS	1	0.912	0.943	25.441	0.062	0.062	0.000	0.000	0.000	0.000
268	A	438	ILE	0	-0.003	0.021	29.025	-0.010	-0.010	0.000	0.000	0.000	0.000
269	A	439	ILE	0	0.019	0.007	29.321	-0.009	-0.009	0.000	0.000	0.000	0.000
270	A	440	GLH	0	-0.031	-0.076	25.249	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	441	GLY	0	-0.002	-0.009	28.158	-0.015	-0.015	0.000	0.000	0.000	0.000
272	A	442	LEU	0	-0.032	-0.011	30.988	-0.007	-0.007	0.000	0.000	0.000	0.000
273	A	443	LEU	0	-0.051	-0.023	26.922	-0.007	-0.007	0.000	0.000	0.000	0.000
274	A	444	ARG	1	0.779	0.883	23.779	0.184	0.184	0.000	0.000	0.000	0.000
275	A	445	LYS	1	0.837	0.925	29.789	0.112	0.112	0.000	0.000	0.000	0.000
276	A	446	ASP	-1	-0.799	-0.871	30.934	-0.113	-0.113	0.000	0.000	0.000	0.000
277	A	447	ASN	0	0.060	-0.007	33.149	0.006	0.006	0.000	0.000	0.000	0.000
278	A	448	THR	0	-0.055	-0.033	33.004	0.009	0.009	0.000	0.000	0.000	0.000
279	A	449	ILE	0	0.005	0.015	28.159	0.009	0.009	0.000	0.000	0.000	0.000
280	A	450	ILE	0	-0.006	0.011	32.129	0.012	0.012	0.000	0.000	0.000	0.000
281	A	451	GLU	-1	-0.925	-0.946	34.733	-0.043	-0.043	0.000	0.000	0.000	0.000
282	A	452	LYS	1	0.944	0.962	32.339	0.070	0.070	0.000	0.000	0.000	0.000
283	A	453	THR	0	-0.034	-0.035	31.837	0.009	0.009	0.000	0.000	0.000	0.000
284	A	454	SER	0	-0.016	-0.013	33.736	0.010	0.010	0.000	0.000	0.000	0.000
285	A	455	HIS	0	-0.049	-0.019	36.965	0.006	0.006	0.000	0.000	0.000	0.000
286	A	456	SER	0	-0.007	-0.024	32.570	0.008	0.008	0.000	0.000	0.000	0.000
287	A	457	LEU	0	0.017	-0.008	34.394	0.008	0.008	0.000	0.000	0.000	0.000
288	A	458	LYS	1	0.869	0.952	36.746	0.018	0.018	0.000	0.000	0.000	0.000
289	A	459	ASN	0	-0.029	-0.012	36.032	0.003	0.003	0.000	0.000	0.000	0.000
290	A	460	LEU	0	-0.063	-0.033	36.513	0.007	0.007	0.000	0.000	0.000	0.000
291	A	461	PHE	0	-0.046	-0.034	39.651	0.004	0.004	0.000	0.000	0.000	0.000
292	A	462	THR	0	0.015	0.007	41.443	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	463	THR	0	-0.060	-0.027	44.454	0.002	0.002	0.000	0.000	0.000	0.000
294	A	464	ALA	0	-0.004	0.010	42.674	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	465	THR	0	0.002	-0.014	44.604	0.000	0.000	0.000	0.000	0.000	0.000
296	A	466	LYS	1	0.956	0.955	42.193	-0.059	-0.059	0.000	0.000	0.000	0.000
297	A	467	ALA	0	-0.020	0.022	38.612	0.000	0.000	0.000	0.000	0.000	0.000
298	A	468	GLU	-1	-0.816	-0.877	35.805	0.091	0.091	0.000	0.000	0.000	0.000
299	A	469	GLY	0	0.010	0.020	39.271	-0.005	-0.005	0.000	0.000	0.000	0.000
300	A	470	PHE	0	0.007	-0.006	41.150	0.003	0.003	0.000	0.000	0.000	0.000
301	A	471	TYR	0	-0.005	-0.026	43.213	-0.003	-0.003	0.000	0.000	0.000	0.000
302	A	472	ALA	0	0.023	0.008	47.522	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	473	ASP	-1	-0.817	-0.888	50.611	0.043	0.043	0.000	0.000	0.000	0.000
304	A	474	GLY	0	0.053	0.030	49.253	0.000	0.000	0.000	0.000	0.000	0.000
305	A	475	SER	0	-0.037	-0.013	47.147	0.003	0.003	0.000	0.000	0.000	0.000
306	A	476	TYR	0	-0.036	-0.044	37.310	-0.004	-0.004	0.000	0.000	0.000	0.000
307	A	477	ILE	0	-0.014	0.013	40.296	0.004	0.004	0.000	0.000	0.000	0.000
308	A	478	ASP	-1	-0.795	-0.919	35.359	0.087	0.087	0.000	0.000	0.000	0.000
309	A	479	HIS	1	0.773	0.849	31.865	-0.128	-0.128	0.000	0.000	0.000	0.000
310	A	480	THR	0	-0.017	-0.016	35.789	0.006	0.006	0.000	0.000	0.000	0.000
311	A	481	ASN	0	-0.021	-0.019	38.007	-0.003	-0.003	0.000	0.000	0.000	0.000
312	A	482	VAL	0	0.030	0.027	38.373	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	483	ALA	0	0.045	0.017	41.073	-0.003	-0.003	0.000	0.000	0.000	0.000
314	A	484	TYR	0	-0.062	-0.065	36.463	0.004	0.004	0.000	0.000	0.000	0.000
315	A	485	THR	0	0.040	0.009	40.380	0.002	0.002	0.000	0.000	0.000	0.000
316	A	486	GLY	0	0.032	0.005	42.017	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	487	ALA	0	-0.068	-0.016	37.412	0.002	0.002	0.000	0.000	0.000	0.000
318	A	488	TYR	0	0.010	0.004	31.621	0.004	0.004	0.000	0.000	0.000	0.000
319	A	489	GLY	0	0.044	0.032	36.843	-0.004	-0.004	0.000	0.000	0.000	0.000
320	A	490	ASN	0	-0.023	-0.045	39.110	-0.007	-0.007	0.000	0.000	0.000	0.000
321	A	491	VAL	0	0.023	0.016	32.837	-0.005	-0.005	0.000	0.000	0.000	0.000
322	A	492	LEU	0	-0.054	-0.006	36.005	-0.006	-0.006	0.000	0.000	0.000	0.000
323	A	493	ILE	0	0.035	0.009	36.948	-0.007	-0.007	0.000	0.000	0.000	0.000
324	A	494	ASP	-1	-0.789	-0.879	37.198	0.030	0.030	0.000	0.000	0.000	0.000
325	A	495	GLY	0	-0.028	-0.031	35.039	-0.006	-0.006	0.000	0.000	0.000	0.000
326	A	496	LEU	0	-0.001	0.000	35.880	-0.007	-0.007	0.000	0.000	0.000	0.000
327	A	497	THR	0	-0.022	-0.016	38.251	-0.006	-0.006	0.000	0.000	0.000	0.000
328	A	498	GLN	0	-0.038	-0.015	34.725	-0.004	-0.004	0.000	0.000	0.000	0.000
329	A	499	LEU	0	0.006	0.008	33.982	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	500	LEU	0	0.023	0.009	37.443	-0.005	-0.005	0.000	0.000	0.000	0.000
331	A	501	PRO	0	-0.003	-0.008	40.373	-0.004	-0.004	0.000	0.000	0.000	0.000
332	A	502	ILE	0	0.013	0.014	36.488	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	503	ILE	0	0.028	0.016	37.139	-0.003	-0.003	0.000	0.000	0.000	0.000
334	A	504	GLN	0	0.010	-0.012	40.072	-0.003	-0.003	0.000	0.000	0.000	0.000
335	A	505	GLU	-1	-0.937	-0.966	42.092	-0.032	-0.032	0.000	0.000	0.000	0.000
336	A	506	THR	0	-0.047	-0.004	38.491	-0.005	-0.005	0.000	0.000	0.000	0.000
337	A	507	ASP	-1	-0.907	-0.966	41.598	-0.048	-0.048	0.000	0.000	0.000	0.000
338	A	508	TYR	0	-0.049	-0.033	39.409	0.001	0.001	0.000	0.000	0.000	0.000
339	A	509	LYS	1	0.887	0.971	41.591	0.033	0.033	0.000	0.000	0.000	0.000
340	A	510	ILE	0	-0.089	-0.047	42.038	0.001	0.001	0.000	0.000	0.000	0.000
341	A	511	SER	0	-0.003	-0.018	44.549	0.000	0.000	0.000	0.000	0.000	0.000
342	A	512	ASN	0	0.066	0.005	48.185	0.002	0.002	0.000	0.000	0.000	0.000
343	A	513	GLN	0	0.070	0.040	49.526	0.001	0.001	0.000	0.000	0.000	0.000
344	A	514	GLU	-1	-0.842	-0.910	44.836	-0.001	-0.001	0.000	0.000	0.000	0.000
345	A	515	LEU	0	0.028	-0.002	46.644	0.003	0.003	0.000	0.000	0.000	0.000
346	A	516	ASP	-1	-0.855	-0.910	48.092	0.007	0.007	0.000	0.000	0.000	0.000
347	A	517	MET	0	-0.074	-0.010	46.266	0.003	0.003	0.000	0.000	0.000	0.000
348	A	518	VAL	0	0.027	0.020	44.144	0.004	0.004	0.000	0.000	0.000	0.000
349	A	519	TYR	0	0.055	0.009	46.638	0.004	0.004	0.000	0.000	0.000	0.000
350	A	520	LYS	1	0.927	0.977	48.752	-0.023	-0.023	0.000	0.000	0.000	0.000
351	A	521	TRP	0	0.003	0.003	42.102	0.002	0.002	0.000	0.000	0.000	0.000
352	A	522	ILE	0	-0.001	0.007	46.881	0.003	0.003	0.000	0.000	0.000	0.000
353	A	523	ASN	0	-0.015	-0.027	48.752	0.002	0.002	0.000	0.000	0.000	0.000
354	A	524	GLN	0	-0.056	-0.040	51.003	0.001	0.001	0.000	0.000	0.000	0.000
355	A	525	SER	0	-0.035	-0.054	46.689	0.001	0.001	0.000	0.000	0.000	0.000
356	A	526	PHE	0	-0.023	-0.020	42.258	0.002	0.002	0.000	0.000	0.000	0.000
357	A	527	LEU	0	-0.002	0.015	48.048	0.002	0.002	0.000	0.000	0.000	0.000
358	A	528	PRO	0	-0.038	-0.013	50.931	0.001	0.001	0.000	0.000	0.000	0.000
359	A	529	LEU	0	-0.031	-0.022	46.918	0.002	0.002	0.000	0.000	0.000	0.000
360	A	530	ILE	0	-0.031	-0.004	47.894	0.003	0.003	0.000	0.000	0.000	0.000
361	A	531	VAL	0	-0.003	0.002	51.046	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	532	LYS	1	0.802	0.876	53.391	-0.032	-0.032	0.000	0.000	0.000	0.000
363	A	533	GLY	0	0.022	0.003	51.971	0.001	0.001	0.000	0.000	0.000	0.000
364	A	534	GLU	-1	-0.871	-0.916	48.818	0.056	0.056	0.000	0.000	0.000	0.000
365	A	535	LEU	0	-0.040	-0.011	43.821	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	536	MET	0	-0.022	-0.008	46.857	0.005	0.005	0.000	0.000	0.000	0.000
367	A	537	ASP	-1	-0.687	-0.859	45.393	0.074	0.074	0.000	0.000	0.000	0.000
368	A	538	MET	0	-0.061	0.009	44.958	0.005	0.005	0.000	0.000	0.000	0.000
369	A	539	SER	0	0.019	0.019	44.829	0.001	0.001	0.000	0.000	0.000	0.000
370	A	540	ARG	1	0.801	0.882	41.024	-0.077	-0.077	0.000	0.000	0.000	0.000
371	A	541	GLY	0	0.093	0.039	39.676	0.006	0.006	0.000	0.000	0.000	0.000
372	A	542	ARG	1	0.813	0.890	31.129	-0.150	-0.150	0.000	0.000	0.000	0.000
373	A	543	SER	0	-0.012	-0.011	36.900	0.006	0.006	0.000	0.000	0.000	0.000
374	A	544	ILE	0	-0.014	0.012	38.303	-0.002	-0.002	0.000	0.000	0.000	0.000
375	A	545	SER	0	-0.035	-0.025	37.741	0.001	0.001	0.000	0.000	0.000	0.000
376	A	546	ARG	1	0.787	0.869	32.492	-0.124	-0.124	0.000	0.000	0.000	0.000
377	A	547	GLU	-1	-0.827	-0.898	37.899	0.093	0.093	0.000	0.000	0.000	0.000
378	A	548	ALA	0	-0.021	-0.015	36.522	-0.006	-0.006	0.000	0.000	0.000	0.000
379	A	549	ALA	0	-0.038	-0.003	37.270	-0.006	-0.006	0.000	0.000	0.000	0.000
380	A	550	SER	0	0.053	0.033	39.260	0.000	0.000	0.000	0.000	0.000	0.000
381	A	551	SER	0	0.066	0.006	43.056	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	552	HIS	0	0.072	0.050	45.529	-0.005	-0.005	0.000	0.000	0.000	0.000
383	A	553	ALA	0	-0.028	-0.002	41.696	-0.004	-0.004	0.000	0.000	0.000	0.000
384	A	554	ALA	0	0.033	0.013	41.678	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	555	ALA	0	0.041	0.024	42.710	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	556	VAL	0	-0.019	-0.014	43.363	-0.003	-0.003	0.000	0.000	0.000	0.000
387	A	557	GLU	-1	-0.935	-0.952	37.292	0.062	0.062	0.000	0.000	0.000	0.000
388	A	558	VAL	0	0.013	0.024	41.066	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	559	LEU	0	-0.027	-0.014	43.167	-0.005	-0.005	0.000	0.000	0.000	0.000
390	A	560	ARG	1	0.826	0.921	37.080	-0.045	-0.045	0.000	0.000	0.000	0.000
391	A	561	GLY	0	0.057	0.024	42.254	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	562	PHE	0	-0.007	-0.030	42.867	-0.003	-0.003	0.000	0.000	0.000	0.000
393	A	563	LEU	0	0.019	0.009	46.368	-0.003	-0.003	0.000	0.000	0.000	0.000
394	A	564	ARG	1	0.790	0.908	38.993	-0.021	-0.021	0.000	0.000	0.000	0.000
395	A	565	LEU	0	-0.007	-0.007	45.090	-0.003	-0.003	0.000	0.000	0.000	0.000
396	A	566	ALA	0	0.004	0.000	46.537	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	567	ASN	0	-0.039	-0.033	47.518	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	568	MET	0	-0.067	-0.008	44.770	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	569	SER	0	0.011	0.016	48.897	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	570	ASN	0	0.042	0.011	52.580	0.003	0.003	0.000	0.000	0.000	0.000
401	A	571	GLU	-1	-0.949	-0.970	55.058	-0.004	-0.004	0.000	0.000	0.000	0.000
402	A	572	GLU	-1	-0.886	-0.951	56.960	0.008	0.008	0.000	0.000	0.000	0.000
403	A	573	ARG	1	0.965	0.963	52.243	-0.003	-0.003	0.000	0.000	0.000	0.000
404	A	574	ASN	0	-0.041	-0.008	51.681	0.002	0.002	0.000	0.000	0.000	0.000
405	A	575	LEU	0	0.006	-0.007	54.204	0.001	0.001	0.000	0.000	0.000	0.000
406	A	576	ASP	-1	-0.876	-0.930	57.019	0.015	0.015	0.000	0.000	0.000	0.000
407	A	577	LEU	0	-0.024	-0.012	49.354	0.002	0.002	0.000	0.000	0.000	0.000
408	A	578	LYS	1	0.941	0.964	52.489	0.001	0.001	0.000	0.000	0.000	0.000
409	A	579	SER	0	0.012	-0.017	54.041	0.002	0.002	0.000	0.000	0.000	0.000
410	A	580	THR	0	-0.032	-0.013	53.340	0.001	0.001	0.000	0.000	0.000	0.000
411	A	581	ILE	0	0.006	0.006	49.232	0.002	0.002	0.000	0.000	0.000	0.000
412	A	582	LYS	1	0.882	0.953	52.535	-0.008	-0.008	0.000	0.000	0.000	0.000
413	A	583	THR	0	-0.012	-0.003	54.762	0.001	0.001	0.000	0.000	0.000	0.000
414	A	584	ILE	0	-0.036	-0.010	51.382	0.002	0.002	0.000	0.000	0.000	0.000
415	A	585	ILE	0	-0.025	-0.018	48.854	0.002	0.002	0.000	0.000	0.000	0.000
416	A	586	THR	0	-0.019	-0.029	52.696	0.001	0.001	0.000	0.000	0.000	0.000
417	A	587	SER	0	-0.040	-0.020	56.005	0.000	0.000	0.000	0.000	0.000	0.000
418	A	588	ASN	0	-0.058	-0.046	50.562	0.002	0.002	0.000	0.000	0.000	0.000
419	A	589	LYS	1	0.920	0.953	53.834	-0.026	-0.026	0.000	0.000	0.000	0.000
420	A	590	PHE	0	-0.046	-0.001	49.278	0.001	0.001	0.000	0.000	0.000	0.000
421	A	591	TYR	0	0.020	0.005	43.055	0.001	0.001	0.000	0.000	0.000	0.000
422	A	592	ASN	0	0.055	0.036	47.962	-0.004	-0.004	0.000	0.000	0.000	0.000
423	A	593	VAL	0	0.105	0.029	46.758	0.002	0.002	0.000	0.000	0.000	0.000
424	A	594	PHE	0	0.022	0.002	45.146	0.002	0.002	0.000	0.000	0.000	0.000
425	A	595	ASN	0	-0.053	-0.016	43.409	-0.002	-0.002	0.000	0.000	0.000	0.000
426	A	596	ASN	0	-0.127	-0.081	39.543	0.006	0.006	0.000	0.000	0.000	0.000
427	A	597	LEU	0	-0.041	-0.002	41.031	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	598	LYS	1	0.912	0.942	36.173	-0.051	-0.051	0.000	0.000	0.000	0.000
429	A	599	SER	0	0.093	0.061	36.805	0.000	0.000	0.000	0.000	0.000	0.000
430	A	600	TYR	0	0.067	0.028	37.783	0.005	0.005	0.000	0.000	0.000	0.000
431	A	601	SER	0	0.056	0.025	39.303	0.000	0.000	0.000	0.000	0.000	0.000
432	A	602	ASP	-1	-0.873	-0.938	40.159	0.016	0.016	0.000	0.000	0.000	0.000
433	A	603	ILE	0	-0.059	-0.024	41.595	0.002	0.002	0.000	0.000	0.000	0.000
434	A	604	ALA	0	0.034	0.016	44.678	0.000	0.000	0.000	0.000	0.000	0.000
435	A	605	ASN	0	-0.032	-0.015	44.639	-0.003	-0.003	0.000	0.000	0.000	0.000
436	A	606	MET	0	-0.003	0.003	46.987	0.000	0.000	0.000	0.000	0.000	0.000
437	A	607	ASN	0	-0.002	-0.008	48.502	0.003	0.003	0.000	0.000	0.000	0.000
438	A	608	LYS	1	0.938	0.961	48.678	0.006	0.006	0.000	0.000	0.000	0.000
439	A	609	LEU	0	0.017	0.020	51.172	0.000	0.000	0.000	0.000	0.000	0.000
440	A	610	LEU	0	-0.042	-0.033	51.710	0.000	0.000	0.000	0.000	0.000	0.000
441	A	611	ASN	0	-0.050	-0.023	53.939	0.001	0.001	0.000	0.000	0.000	0.000
442	A	612	ASP	-1	-0.848	-0.905	56.131	0.000	0.000	0.000	0.000	0.000	0.000
443	A	613	SER	0	-0.031	-0.032	57.927	0.001	0.001	0.000	0.000	0.000	0.000
444	A	614	THR	0	-0.064	-0.020	59.619	0.001	0.001	0.000	0.000	0.000	0.000
445	A	615	VAL	0	-0.008	0.013	56.353	0.001	0.001	0.000	0.000	0.000	0.000
446	A	616	ALA	0	0.033	0.010	59.587	0.001	0.001	0.000	0.000	0.000	0.000
447	A	617	THR	0	-0.022	0.021	58.809	0.000	0.000	0.000	0.000	0.000	0.000
448	A	618	LYS	1	0.905	0.959	58.016	-0.017	-0.017	0.000	0.000	0.000	0.000
449	A	619	PRO	0	-0.013	-0.013	61.801	0.001	0.001	0.000	0.000	0.000	0.000
450	A	620	LEU	0	0.020	0.012	61.314	0.000	0.000	0.000	0.000	0.000	0.000
451	A	621	LYS	1	0.963	0.978	60.862	-0.021	-0.021	0.000	0.000	0.000	0.000
452	A	622	SER	0	-0.001	0.006	60.789	0.002	0.002	0.000	0.000	0.000	0.000
453	A	623	ASN	0	0.009	0.004	56.560	0.001	0.001	0.000	0.000	0.000	0.000
454	A	624	LEU	0	0.003	0.016	58.758	0.002	0.002	0.000	0.000	0.000	0.000
455	A	625	SER	0	-0.013	0.004	54.214	-0.002	-0.002	0.000	0.000	0.000	0.000
456	A	626	THR	0	0.004	-0.007	55.582	0.001	0.001	0.000	0.000	0.000	0.000
457	A	627	PHE	0	-0.017	0.005	50.114	-0.001	-0.001	0.000	0.000	0.000	0.000
458	A	628	ASN	0	0.074	0.014	51.189	0.005	0.005	0.000	0.000	0.000	0.000
459	A	629	SER	0	-0.036	-0.018	47.985	0.003	0.003	0.000	0.000	0.000	0.000
460	A	630	MET	0	-0.050	0.004	45.927	0.004	0.004	0.000	0.000	0.000	0.000
461	A	631	ASP	-1	-0.791	-0.859	47.532	0.067	0.067	0.000	0.000	0.000	0.000
462	A	632	ARG	1	0.814	0.895	45.705	-0.070	-0.070	0.000	0.000	0.000	0.000
463	A	633	LEU	0	0.000	0.006	51.223	-0.003	-0.003	0.000	0.000	0.000	0.000
464	A	634	ALA	0	0.015	0.018	52.624	0.002	0.002	0.000	0.000	0.000	0.000
465	A	635	TYR	0	-0.054	-0.057	54.645	-0.003	-0.003	0.000	0.000	0.000	0.000
466	A	636	TYR	0	-0.013	-0.026	57.790	0.001	0.001	0.000	0.000	0.000	0.000
467	A	637	ASN	0	-0.019	0.005	59.566	-0.003	-0.003	0.000	0.000	0.000	0.000
468	A	638	ALA	0	0.080	0.010	63.292	0.000	0.000	0.000	0.000	0.000	0.000
469	A	639	LYS	1	0.920	0.969	64.278	-0.023	-0.023	0.000	0.000	0.000	0.000
470	A	640	LYS	1	0.849	0.910	66.146	-0.029	-0.029	0.000	0.000	0.000	0.000
471	A	641	ASP	-1	-0.759	-0.816	61.688	0.032	0.032	0.000	0.000	0.000	0.000
472	A	642	PHE	0	-0.021	-0.009	60.596	0.001	0.001	0.000	0.000	0.000	0.000
473	A	643	GLY	0	0.019	0.007	57.219	-0.001	-0.001	0.000	0.000	0.000	0.000
474	A	644	PHE	0	-0.033	-0.027	57.169	0.001	0.001	0.000	0.000	0.000	0.000
475	A	645	ALA	0	0.028	0.007	52.365	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	646	LEU	0	0.006	0.005	53.839	0.001	0.001	0.000	0.000	0.000	0.000
477	A	647	SER	0	-0.030	-0.021	49.096	0.001	0.001	0.000	0.000	0.000	0.000
478	A	648	LEU	0	-0.017	-0.010	50.897	0.001	0.001	0.000	0.000	0.000	0.000
479	A	649	HIS	0	-0.052	-0.048	47.577	0.003	0.003	0.000	0.000	0.000	0.000
480	A	650	SER	0	0.036	0.005	48.685	-0.002	-0.002	0.000	0.000	0.000	0.000
481	A	651	LYS	1	0.876	0.950	48.014	-0.059	-0.059	0.000	0.000	0.000	0.000
482	A	652	ARG	1	0.813	0.900	46.806	-0.055	-0.055	0.000	0.000	0.000	0.000
483	A	653	THR	0	-0.037	-0.039	44.326	0.003	0.003	0.000	0.000	0.000	0.000
484	A	654	LEU	0	-0.071	-0.027	39.219	0.001	0.001	0.000	0.000	0.000	0.000
485	A	655	ASN	0	0.028	0.000	43.427	0.001	0.001	0.000	0.000	0.000	0.000
486	A	656	TYR	0	-0.031	-0.027	40.347	0.000	0.000	0.000	0.000	0.000	0.000
487	A	657	GLU	-1	-0.718	-0.817	35.720	0.136	0.136	0.000	0.000	0.000	0.000
488	A	658	GLY	0	0.031	0.013	37.025	-0.003	-0.003	0.000	0.000	0.000	0.000
489	A	659	MET	0	-0.021	-0.012	31.911	0.010	0.010	0.000	0.000	0.000	0.000
490	A	660	ASN	0	-0.037	-0.032	28.427	0.007	0.007	0.000	0.000	0.000	0.000
491	A	661	ASP	-1	-0.784	-0.893	30.257	0.233	0.233	0.000	0.000	0.000	0.000
492	A	662	GLU	-1	-0.766	-0.844	32.478	0.145	0.145	0.000	0.000	0.000	0.000
493	A	663	ASN	0	0.000	-0.006	35.042	-0.004	-0.004	0.000	0.000	0.000	0.000
494	A	664	THR	0	-0.039	-0.031	36.415	-0.004	-0.004	0.000	0.000	0.000	0.000
495	A	665	ARG	1	0.885	0.914	38.959	-0.126	-0.126	0.000	0.000	0.000	0.000
496	A	666	GLY	0	0.017	0.032	41.848	-0.007	-0.007	0.000	0.000	0.000	0.000
497	A	667	TRP	0	-0.035	-0.028	41.966	-0.008	-0.008	0.000	0.000	0.000	0.000
498	A	668	TYR	0	0.036	0.022	45.017	0.001	0.001	0.000	0.000	0.000	0.000
499	A	669	THR	0	-0.032	-0.026	45.126	-0.004	-0.004	0.000	0.000	0.000	0.000
500	A	670	GLY	0	0.046	0.026	47.564	-0.003	-0.003	0.000	0.000	0.000	0.000
501	A	671	ASP	-1	-0.837	-0.850	48.377	0.083	0.083	0.000	0.000	0.000	0.000
502	A	672	GLY	0	0.038	-0.001	51.456	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	673	MET	0	-0.066	0.001	50.015	0.000	0.000	0.000	0.000	0.000	0.000
504	A	674	PHE	0	-0.001	-0.009	53.184	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	675	TYR	0	-0.031	-0.021	48.296	0.002	0.002	0.000	0.000	0.000	0.000
506	A	676	ILE	0	0.020	0.000	54.695	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	677	TYR	0	-0.028	-0.012	51.024	0.002	0.002	0.000	0.000	0.000	0.000
508	A	678	ASN	0	0.086	0.028	56.888	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	679	SER	0	-0.057	-0.045	58.299	0.001	0.001	0.000	0.000	0.000	0.000
510	A	680	ASP	-1	-0.830	-0.907	56.482	0.048	0.048	0.000	0.000	0.000	0.000
511	A	681	GLN	0	-0.039	-0.043	53.807	0.001	0.001	0.000	0.000	0.000	0.000
512	A	682	SER	0	-0.045	0.003	51.865	0.003	0.003	0.000	0.000	0.000	0.000
513	A	683	HIS	0	0.084	0.054	52.098	0.003	0.003	0.000	0.000	0.000	0.000
514	A	684	TYR	0	0.041	0.026	49.141	0.001	0.001	0.000	0.000	0.000	0.000
515	A	685	SER	0	0.008	0.010	47.389	0.004	0.004	0.000	0.000	0.000	0.000
516	A	686	ASN	0	-0.002	-0.021	48.100	0.002	0.002	0.000	0.000	0.000	0.000
517	A	687	HIS	0	0.094	0.057	44.319	0.003	0.003	0.000	0.000	0.000	0.000
518	A	688	PHE	0	0.048	0.038	47.062	0.002	0.002	0.000	0.000	0.000	0.000
519	A	689	TRP	0	0.032	0.001	43.905	0.003	0.003	0.000	0.000	0.000	0.000
520	A	690	PRO	0	-0.055	-0.013	43.166	0.003	0.003	0.000	0.000	0.000	0.000
521	A	691	THR	0	-0.049	-0.020	44.908	0.000	0.000	0.000	0.000	0.000	0.000
522	A	692	VAL	0	-0.018	0.020	47.680	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	693	ASN	0	-0.011	-0.021	48.844	0.008	0.008	0.000	0.000	0.000	0.000
524	A	694	PRO	0	0.042	0.004	46.595	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	695	TYR	0	0.001	0.007	47.383	0.002	0.002	0.000	0.000	0.000	0.000
526	A	696	LYS	1	0.913	0.968	51.200	-0.073	-0.073	0.000	0.000	0.000	0.000
527	A	697	MET	0	0.034	0.049	48.793	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	698	ALA	0	0.041	0.029	52.418	-0.001	-0.001	0.000	0.000	0.000	0.000
529	A	699	GLY	0	0.050	0.022	55.022	0.000	0.000	0.000	0.000	0.000	0.000
530	A	700	THR	0	-0.079	-0.030	52.075	0.000	0.000	0.000	0.000	0.000	0.000
531	A	701	THR	0	-0.014	-0.046	55.437	-0.002	-0.002	0.000	0.000	0.000	0.000
532	A	702	GLH	0	-0.063	-0.100	51.426	0.003	0.003	0.000	0.000	0.000	0.000
533	A	703	LYS	1	0.811	0.902	53.695	-0.082	-0.082	0.000	0.000	0.000	0.000
534	A	704	ASP	-1	-0.855	-0.936	53.797	0.080	0.080	0.000	0.000	0.000	0.000
535	A	705	ALA	0	-0.023	0.000	51.223	0.002	0.002	0.000	0.000	0.000	0.000
536	A	706	LYS	1	0.982	0.983	45.409	-0.120	-0.120	0.000	0.000	0.000	0.000
537	A	707	ARG	1	0.893	0.941	43.493	-0.114	-0.114	0.000	0.000	0.000	0.000
538	A	708	GLU	-1	-0.961	-0.975	40.565	0.154	0.154	0.000	0.000	0.000	0.000
539	A	709	ASP	-1	-0.776	-0.858	38.869	0.139	0.139	0.000	0.000	0.000	0.000
540	A	710	THR	0	-0.063	-0.054	36.799	0.009	0.009	0.000	0.000	0.000	0.000
541	A	711	THR	0	0.015	-0.002	33.663	0.005	0.005	0.000	0.000	0.000	0.000
542	A	712	LYS	1	0.948	0.955	25.692	-0.293	-0.293	0.000	0.000	0.000	0.000
543	A	713	GLU	-1	-0.866	-0.931	30.555	0.238	0.238	0.000	0.000	0.000	0.000
544	A	714	PHE	0	-0.059	0.005	31.482	0.004	0.004	0.000	0.000	0.000	0.000
545	A	715	MET	0	-0.006	-0.011	32.708	-0.005	-0.005	0.000	0.000	0.000	0.000
546	A	716	SER	0	-0.055	-0.027	29.033	0.002	0.002	0.000	0.000	0.000	0.000
547	A	717	LYS	1	0.982	0.969	30.935	-0.208	-0.208	0.000	0.000	0.000	0.000
548	A	718	HIS	1	0.843	0.931	33.572	-0.192	-0.192	0.000	0.000	0.000	0.000
549	A	719	SER	0	-0.015	-0.001	30.186	-0.015	-0.015	0.000	0.000	0.000	0.000
550	A	720	LYS	1	0.961	0.986	32.235	-0.204	-0.204	0.000	0.000	0.000	0.000
551	A	721	ASP	-1	-0.805	-0.910	34.788	0.157	0.157	0.000	0.000	0.000	0.000
552	A	722	ALA	0	0.053	0.034	33.771	-0.006	-0.006	0.000	0.000	0.000	0.000
553	A	723	LYS	1	0.967	1.010	35.472	-0.153	-0.153	0.000	0.000	0.000	0.000
554	A	724	GLU	-1	-0.884	-0.938	38.100	0.126	0.126	0.000	0.000	0.000	0.000
555	A	725	LYS	1	0.905	0.954	38.780	-0.152	-0.152	0.000	0.000	0.000	0.000
556	A	726	THR	0	-0.057	-0.061	37.103	-0.003	-0.003	0.000	0.000	0.000	0.000
557	A	727	GLY	0	-0.005	0.008	40.300	-0.005	-0.005	0.000	0.000	0.000	0.000
558	A	728	GLN	0	-0.045	0.001	36.479	-0.009	-0.009	0.000	0.000	0.000	0.000
559	A	729	VAL	0	0.022	-0.009	41.174	0.004	0.004	0.000	0.000	0.000	0.000
560	A	730	THR	0	0.033	0.029	43.144	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	731	GLY	0	-0.019	0.005	45.656	0.000	0.000	0.000	0.000	0.000	0.000
562	A	732	THR	0	-0.002	-0.032	49.144	0.000	0.000	0.000	0.000	0.000	0.000
563	A	733	SER	0	-0.004	0.002	51.260	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	734	ASP	-1	-0.842	-0.932	53.661	0.057	0.057	0.000	0.000	0.000	0.000
565	A	735	PHE	0	-0.043	-0.011	55.625	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	736	VAL	0	-0.003	-0.004	53.035	0.001	0.001	0.000	0.000	0.000	0.000
567	A	737	GLY	0	0.014	0.011	55.648	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	738	SER	0	-0.044	-0.026	56.254	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	739	VAL	0	0.051	0.030	58.591	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	740	LYS	1	0.889	0.946	59.789	-0.029	-0.029	0.000	0.000	0.000	0.000
571	A	741	LEU	0	-0.028	0.000	62.822	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	742	ASN	0	0.067	0.000	65.366	0.000	0.000	0.000	0.000	0.000	0.000
573	A	743	ASP	-1	-0.886	-0.956	62.230	0.028	0.028	0.000	0.000	0.000	0.000
574	A	744	HIS	0	-0.023	-0.010	63.664	0.001	0.001	0.000	0.000	0.000	0.000
575	A	745	PHE	0	0.017	0.017	65.837	0.001	0.001	0.000	0.000	0.000	0.000
576	A	746	ALA	0	0.037	0.011	61.561	0.000	0.000	0.000	0.000	0.000	0.000
577	A	747	LEU	0	-0.035	0.016	62.927	0.000	0.000	0.000	0.000	0.000	0.000
578	A	748	ALA	0	-0.005	-0.017	58.339	0.000	0.000	0.000	0.000	0.000	0.000
579	A	749	ALA	0	0.031	0.020	59.178	0.000	0.000	0.000	0.000	0.000	0.000
580	A	750	MET	0	-0.012	-0.004	52.389	0.001	0.001	0.000	0.000	0.000	0.000
581	A	751	ASP	-1	-0.864	-0.923	57.193	0.054	0.054	0.000	0.000	0.000	0.000
582	A	752	PHE	0	-0.048	-0.028	51.565	0.002	0.002	0.000	0.000	0.000	0.000
583	A	753	THR	0	-0.035	-0.030	51.989	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	754	ASN	0	0.011	-0.004	51.514	0.002	0.002	0.000	0.000	0.000	0.000
585	A	755	TRP	0	0.053	0.003	44.775	0.002	0.002	0.000	0.000	0.000	0.000
586	A	756	ASP	-1	-0.817	-0.855	47.508	0.095	0.095	0.000	0.000	0.000	0.000
587	A	757	ARG	1	0.941	0.957	48.977	-0.085	-0.085	0.000	0.000	0.000	0.000
588	A	758	THR	0	-0.099	-0.057	52.002	-0.005	-0.005	0.000	0.000	0.000	0.000
589	A	759	LEU	0	-0.007	-0.007	54.619	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	760	THR	0	-0.019	0.005	55.384	0.002	0.002	0.000	0.000	0.000	0.000
591	A	761	ALA	0	-0.016	-0.017	57.766	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	762	GLN	0	0.039	0.045	58.991	0.001	0.001	0.000	0.000	0.000	0.000
593	A	763	LYS	1	0.832	0.903	56.407	-0.062	-0.062	0.000	0.000	0.000	0.000
594	A	764	GLY	0	0.025	0.011	60.288	0.000	0.000	0.000	0.000	0.000	0.000
595	A	765	TRP	0	-0.024	-0.019	56.702	0.000	0.000	0.000	0.000	0.000	0.000
596	A	766	VAL	0	0.028	0.007	62.406	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	767	ILE	0	-0.036	0.003	60.150	0.000	0.000	0.000	0.000	0.000	0.000
598	A	768	LEU	0	0.007	-0.012	64.711	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	769	ASN	0	0.023	0.006	67.133	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	770	ASP	-1	-0.866	-0.919	66.154	0.030	0.030	0.000	0.000	0.000	0.000
601	A	771	LYS	1	0.883	0.947	67.405	-0.029	-0.029	0.000	0.000	0.000	0.000
602	A	772	ILE	0	0.003	0.012	61.682	0.000	0.000	0.000	0.000	0.000	0.000
603	A	773	VAL	0	-0.014	-0.005	65.108	0.000	0.000	0.000	0.000	0.000	0.000
604	A	774	PHE	0	-0.003	-0.001	59.432	0.001	0.001	0.000	0.000	0.000	0.000
605	A	775	LEU	0	0.000	-0.023	63.711	-0.001	-0.001	0.000	0.000	0.000	0.000
606	A	776	GLY	0	0.023	0.008	63.169	0.002	0.002	0.000	0.000	0.000	0.000
607	A	777	SER	0	0.055	0.037	64.102	-0.001	-0.001	0.000	0.000	0.000	0.000
608	A	778	ASN	0	0.021	0.004	63.847	0.000	0.000	0.000	0.000	0.000	0.000
609	A	779	ILE	0	-0.097	-0.020	60.905	0.002	0.002	0.000	0.000	0.000	0.000
610	A	780	LYS	1	1.006	0.994	61.052	-0.059	-0.059	0.000	0.000	0.000	0.000
611	A	781	ASN	0	0.032	0.003	58.838	0.004	0.004	0.000	0.000	0.000	0.000
612	A	782	THR	0	-0.042	-0.022	56.293	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	783	ASN	0	0.082	0.040	55.120	-0.002	-0.002	0.000	0.000	0.000	0.000
614	A	784	GLY	0	-0.011	-0.003	59.234	0.001	0.001	0.000	0.000	0.000	0.000
615	A	785	ILE	0	-0.007	0.013	55.830	0.000	0.000	0.000	0.000	0.000	0.000
616	A	786	GLY	0	-0.023	-0.010	56.850	0.002	0.002	0.000	0.000	0.000	0.000
617	A	787	ASN	0	-0.010	-0.004	57.661	-0.004	-0.004	0.000	0.000	0.000	0.000
618	A	788	VAL	0	-0.025	-0.015	58.168	0.002	0.002	0.000	0.000	0.000	0.000
619	A	789	SER	0	-0.032	-0.016	58.712	-0.003	-0.003	0.000	0.000	0.000	0.000
620	A	790	THR	0	0.057	0.044	58.531	0.003	0.003	0.000	0.000	0.000	0.000
621	A	791	THR	0	-0.040	-0.009	56.754	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	792	ILE	0	-0.021	-0.007	59.033	0.000	0.000	0.000	0.000	0.000	0.000
623	A	793	ASP	-1	-0.806	-0.917	58.571	0.052	0.052	0.000	0.000	0.000	0.000
624	A	794	GLN	0	-0.005	-0.012	52.688	0.002	0.002	0.000	0.000	0.000	0.000
625	A	795	ARG	1	0.875	0.962	55.767	-0.049	-0.049	0.000	0.000	0.000	0.000
626	A	796	LYS	1	0.816	0.916	51.128	-0.063	-0.063	0.000	0.000	0.000	0.000
627	A	797	ASP	-1	-0.806	-0.921	56.386	0.045	0.045	0.000	0.000	0.000	0.000
628	A	798	ASP	-1	-0.768	-0.891	57.793	0.046	0.046	0.000	0.000	0.000	0.000
629	A	799	SER	0	-0.001	-0.019	58.661	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	800	LYS	1	0.908	0.961	59.410	-0.040	-0.040	0.000	0.000	0.000	0.000
631	A	801	THR	0	-0.110	-0.057	62.067	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	802	PRO	0	-0.003	0.008	63.410	0.000	0.000	0.000	0.000	0.000	0.000
633	A	803	TYR	0	-0.040	-0.063	61.278	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	804	THR	0	-0.056	-0.010	65.772	0.000	0.000	0.000	0.000	0.000	0.000
635	A	805	THR	0	0.005	-0.016	67.078	0.000	0.000	0.000	0.000	0.000	0.000
636	A	806	TYR	0	-0.040	-0.023	69.359	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	807	VAL	0	0.050	0.019	70.854	0.001	0.001	0.000	0.000	0.000	0.000
638	A	808	ASN	0	-0.011	-0.004	73.286	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	809	GLY	0	0.046	0.024	75.505	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	810	LYS	1	0.923	0.961	76.706	-0.031	-0.031	0.000	0.000	0.000	0.000
641	A	811	THR	0	0.019	0.012	73.241	0.001	0.001	0.000	0.000	0.000	0.000
642	A	812	ILE	0	-0.053	-0.009	68.774	0.000	0.000	0.000	0.000	0.000	0.000
643	A	813	ASP	-1	-0.875	-0.944	71.240	0.041	0.041	0.000	0.000	0.000	0.000
644	A	814	LEU	0	-0.009	-0.004	65.198	0.001	0.001	0.000	0.000	0.000	0.000
645	A	815	LYS	1	0.888	0.959	66.435	-0.046	-0.046	0.000	0.000	0.000	0.000
646	A	816	GLN	0	0.002	-0.001	61.865	0.001	0.001	0.000	0.000	0.000	0.000
647	A	817	ALA	0	0.033	-0.016	61.290	0.002	0.002	0.000	0.000	0.000	0.000
648	A	818	SER	0	-0.110	-0.052	62.953	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	819	SER	0	0.043	0.034	62.964	0.000	0.000	0.000	0.000	0.000	0.000
650	A	820	GLN	0	0.015	0.013	64.986	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	821	GLN	0	0.077	0.039	67.584	0.002	0.002	0.000	0.000	0.000	0.000
652	A	822	PHE	0	-0.019	-0.015	69.391	-0.002	-0.002	0.000	0.000	0.000	0.000
653	A	823	THR	0	0.032	0.014	71.922	0.001	0.001	0.000	0.000	0.000	0.000
654	A	824	ASP	-1	-0.967	-0.973	74.217	0.036	0.036	0.000	0.000	0.000	0.000
655	A	825	THR	0	-0.037	-0.023	70.899	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	826	LYS	1	0.950	0.953	73.675	-0.033	-0.033	0.000	0.000	0.000	0.000
657	A	827	SER	0	-0.020	-0.016	72.091	0.000	0.000	0.000	0.000	0.000	0.000
658	A	828	VAL	0	0.045	0.038	67.314	0.000	0.000	0.000	0.000	0.000	0.000
659	A	829	PHE	0	-0.060	-0.026	69.304	0.000	0.000	0.000	0.000	0.000	0.000
660	A	830	LEU	0	0.029	0.030	63.363	0.000	0.000	0.000	0.000	0.000	0.000
661	A	831	GLU	-1	-0.816	-0.924	67.282	0.032	0.032	0.000	0.000	0.000	0.000
662	A	832	SER	0	0.041	0.025	64.917	0.000	0.000	0.000	0.000	0.000	0.000
663	A	833	LYS	1	0.930	0.958	67.428	-0.033	-0.033	0.000	0.000	0.000	0.000
664	A	834	GLU	-1	-0.898	-0.949	63.315	0.031	0.031	0.000	0.000	0.000	0.000
665	A	835	PRO	0	0.025	0.020	66.250	0.001	0.001	0.000	0.000	0.000	0.000
666	A	836	GLY	0	0.002	0.022	64.361	0.001	0.001	0.000	0.000	0.000	0.000
667	A	837	ARG	1	0.916	0.930	60.302	-0.038	-0.038	0.000	0.000	0.000	0.000
668	A	838	ASN	0	-0.004	0.039	63.944	0.002	0.002	0.000	0.000	0.000	0.000
669	A	839	ILE	0	0.004	0.009	61.320	0.000	0.000	0.000	0.000	0.000	0.000
670	A	840	GLY	0	0.012	0.027	65.799	0.000	0.000	0.000	0.000	0.000	0.000
671	A	841	TYR	0	-0.055	-0.060	62.269	0.000	0.000	0.000	0.000	0.000	0.000
672	A	842	ILE	0	0.037	0.019	68.409	0.000	0.000	0.000	0.000	0.000	0.000
673	A	843	PHE	0	0.018	0.000	67.036	0.001	0.001	0.000	0.000	0.000	0.000
674	A	844	PHE	0	0.009	0.004	69.638	-0.001	-0.001	0.000	0.000	0.000	0.000
675	A	845	LYS	1	0.911	0.954	73.165	-0.036	-0.036	0.000	0.000	0.000	0.000
676	A	846	ASN	0	0.058	0.025	73.559	0.001	0.001	0.000	0.000	0.000	0.000
677	A	847	SER	0	-0.009	0.002	70.021	0.001	0.001	0.000	0.000	0.000	0.000
678	A	848	THR	0	-0.022	-0.007	69.704	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	849	ILE	0	-0.057	-0.017	66.219	0.002	0.002	0.000	0.000	0.000	0.000
680	A	850	ASP	-1	-0.900	-0.942	64.162	0.053	0.053	0.000	0.000	0.000	0.000
681	A	851	ILE	0	0.001	-0.020	64.221	0.000	0.000	0.000	0.000	0.000	0.000
682	A	852	GLU	-1	-0.893	-0.966	60.274	0.063	0.063	0.000	0.000	0.000	0.000
683	A	853	ARG	1	0.827	0.928	61.054	-0.051	-0.051	0.000	0.000	0.000	0.000
684	A	854	LYS	1	0.939	0.975	55.698	-0.072	-0.072	0.000	0.000	0.000	0.000
685	A	855	GLU	-1	-0.831	-0.899	54.476	0.063	0.063	0.000	0.000	0.000	0.000
686	A	856	GLN	0	-0.121	-0.056	52.148	0.000	0.000	0.000	0.000	0.000	0.000
687	A	857	THR	0	0.040	-0.001	49.171	0.000	0.000	0.000	0.000	0.000	0.000
688	A	858	GLY	0	0.012	0.015	46.020	0.002	0.002	0.000	0.000	0.000	0.000
689	A	859	THR	0	0.014	0.027	41.407	0.000	0.000	0.000	0.000	0.000	0.000
690	A	860	TRP	0	0.050	0.009	39.041	0.004	0.004	0.000	0.000	0.000	0.000
691	A	861	ASN	0	-0.040	-0.025	34.277	0.002	0.002	0.000	0.000	0.000	0.000
692	A	862	SER	0	-0.040	-0.029	37.047	0.008	0.008	0.000	0.000	0.000	0.000
693	A	863	ILE	0	0.007	0.023	39.264	0.005	0.005	0.000	0.000	0.000	0.000
694	A	864	ASN	0	-0.001	-0.019	33.923	0.015	0.015	0.000	0.000	0.000	0.000
695	A	865	ARG	1	0.840	0.930	32.536	-0.175	-0.175	0.000	0.000	0.000	0.000
696	A	866	THR	0	0.015	0.023	30.286	0.017	0.017	0.000	0.000	0.000	0.000
697	A	867	SER	0	-0.060	-0.015	31.357	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	868	LYS	1	1.018	1.001	30.128	-0.150	-0.150	0.000	0.000	0.000	0.000
699	A	869	ASN	0	-0.057	-0.039	34.252	-0.002	-0.002	0.000	0.000	0.000	0.000
700	A	870	THR	0	0.035	-0.001	37.051	-0.002	-0.002	0.000	0.000	0.000	0.000
701	A	871	SER	0	0.006	0.005	39.666	-0.002	-0.002	0.000	0.000	0.000	0.000
702	A	872	ILE	0	-0.027	-0.015	42.893	0.000	0.000	0.000	0.000	0.000	0.000
703	A	873	VAL	0	-0.043	-0.015	45.032	-0.004	-0.004	0.000	0.000	0.000	0.000
704	A	874	SER	0	-0.038	-0.070	47.614	0.003	0.003	0.000	0.000	0.000	0.000
705	A	875	ASN	0	-0.031	-0.016	50.230	-0.005	-0.005	0.000	0.000	0.000	0.000
706	A	876	PRO	0	0.009	0.040	53.397	0.002	0.002	0.000	0.000	0.000	0.000
707	A	877	PHE	0	0.014	0.011	51.532	-0.001	-0.001	0.000	0.000	0.000	0.000
708	A	878	ILE	0	0.003	0.000	57.367	0.000	0.000	0.000	0.000	0.000	0.000
709	A	879	THR	0	-0.069	-0.042	57.780	0.002	0.002	0.000	0.000	0.000	0.000
710	A	880	ILE	0	0.015	0.025	59.963	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	881	SER	0	-0.012	-0.014	60.353	0.002	0.002	0.000	0.000	0.000	0.000
712	A	882	GLN	0	0.054	0.025	62.387	-0.002	-0.002	0.000	0.000	0.000	0.000
713	A	883	LYS	1	0.907	0.959	63.174	-0.051	-0.051	0.000	0.000	0.000	0.000
714	A	884	HIS	0	0.001	0.012	61.596	-0.001	-0.001	0.000	0.000	0.000	0.000
715	A	885	ASP	-1	-0.841	-0.901	64.189	0.053	0.053	0.000	0.000	0.000	0.000
716	A	886	ASN	0	0.006	-0.026	65.575	0.001	0.001	0.000	0.000	0.000	0.000
717	A	887	LYS	1	0.870	0.946	67.406	-0.046	-0.046	0.000	0.000	0.000	0.000
718	A	888	GLY	0	0.039	0.029	69.304	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	889	ASP	-1	-0.906	-0.959	65.839	0.051	0.051	0.000	0.000	0.000	0.000
720	A	890	SER	0	-0.040	-0.032	65.923	0.000	0.000	0.000	0.000	0.000	0.000
721	A	891	TYR	0	0.008	0.006	60.954	0.001	0.001	0.000	0.000	0.000	0.000
722	A	892	GLY	0	0.052	0.010	66.903	0.000	0.000	0.000	0.000	0.000	0.000
723	A	893	TYR	0	-0.048	-0.011	61.667	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	894	MET	0	-0.001	0.008	67.160	0.000	0.000	0.000	0.000	0.000	0.000
725	A	895	MET	0	-0.005	0.013	60.694	0.000	0.000	0.000	0.000	0.000	0.000
726	A	896	VAL	0	-0.011	-0.027	66.128	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	897	PRO	0	0.021	0.013	63.613	0.000	0.000	0.000	0.000	0.000	0.000
728	A	898	ASN	0	-0.044	-0.025	63.537	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	899	ILE	0	0.000	0.016	67.220	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	900	ASP	-1	-0.770	-0.874	70.809	0.028	0.028	0.000	0.000	0.000	0.000
731	A	901	ARG	1	0.960	0.959	73.381	-0.031	-0.031	0.000	0.000	0.000	0.000
732	A	902	THR	0	0.000	0.005	74.728	0.000	0.000	0.000	0.000	0.000	0.000
733	A	903	SER	0	-0.051	-0.052	75.544	-0.001	-0.001	0.000	0.000	0.000	0.000
734	A	904	PHE	0	-0.005	0.004	70.958	0.000	0.000	0.000	0.000	0.000	0.000
735	A	905	ASP	-1	-0.844	-0.921	74.842	0.031	0.031	0.000	0.000	0.000	0.000
736	A	906	LYS	1	0.868	0.936	77.658	-0.025	-0.025	0.000	0.000	0.000	0.000
737	A	907	LEU	0	0.018	0.006	72.734	0.000	0.000	0.000	0.000	0.000	0.000
738	A	908	ALA	0	-0.026	-0.024	75.291	0.000	0.000	0.000	0.000	0.000	0.000
739	A	909	ASN	0	-0.058	-0.028	76.560	0.001	0.001	0.000	0.000	0.000	0.000
740	A	910	SER	0	-0.078	-0.014	78.302	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	911	LYS	1	0.956	0.965	79.178	-0.028	-0.028	0.000	0.000	0.000	0.000
742	A	912	GLU	-1	-0.954	-0.992	76.501	0.026	0.026	0.000	0.000	0.000	0.000
743	A	913	VAL	0	0.014	0.008	71.781	0.000	0.000	0.000	0.000	0.000	0.000
744	A	914	GLU	-1	-0.934	-0.978	75.199	0.028	0.028	0.000	0.000	0.000	0.000
745	A	915	LEU	0	-0.032	-0.006	70.577	0.000	0.000	0.000	0.000	0.000	0.000
746	A	916	LEU	0	-0.037	-0.024	73.873	0.000	0.000	0.000	0.000	0.000	0.000
747	A	917	GLU	-1	-0.817	-0.893	73.279	0.035	0.035	0.000	0.000	0.000	0.000
748	A	918	ASN	0	0.000	0.013	67.804	0.001	0.001	0.000	0.000	0.000	0.000
749	A	919	SER	0	0.000	0.004	70.760	0.001	0.001	0.000	0.000	0.000	0.000
750	A	920	SER	0	0.018	0.002	67.569	0.000	0.000	0.000	0.000	0.000	0.000
751	A	921	LYS	1	0.868	0.945	67.773	-0.033	-0.033	0.000	0.000	0.000	0.000
752	A	922	GLN	0	-0.015	-0.015	68.829	0.000	0.000	0.000	0.000	0.000	0.000
753	A	923	GLN	0	-0.008	0.007	66.159	0.001	0.001	0.000	0.000	0.000	0.000
754	A	924	VAL	0	-0.037	-0.015	69.605	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	925	ILE	0	0.008	-0.006	69.396	0.000	0.000	0.000	0.000	0.000	0.000
756	A	926	TYR	0	0.015	0.004	72.434	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	927	ASP	-1	-0.804	-0.895	72.898	0.029	0.029	0.000	0.000	0.000	0.000
758	A	928	LYS	1	0.988	0.983	75.001	-0.025	-0.025	0.000	0.000	0.000	0.000
759	A	929	ASN	0	-0.161	-0.069	75.941	-0.002	-0.002	0.000	0.000	0.000	0.000
760	A	930	SER	0	-0.003	0.029	73.472	-0.001	-0.001	0.000	0.000	0.000	0.000
761	A	931	GLN	0	-0.002	0.003	75.796	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	932	THR	0	0.013	-0.019	70.874	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	933	TRP	0	-0.005	0.004	73.549	0.001	0.001	0.000	0.000	0.000	0.000
764	A	934	ALA	0	-0.009	-0.005	68.235	0.000	0.000	0.000	0.000	0.000	0.000
765	A	935	VAL	0	0.004	-0.008	69.258	0.000	0.000	0.000	0.000	0.000	0.000
766	A	936	ILE	0	0.004	0.008	63.894	0.000	0.000	0.000	0.000	0.000	0.000
767	A	937	LYS	1	0.827	0.924	66.790	-0.034	-0.034	0.000	0.000	0.000	0.000
768	A	938	HIS	0	0.042	0.014	62.922	0.000	0.000	0.000	0.000	0.000	0.000
769	A	939	ASP	-1	-0.847	-0.933	65.226	0.039	0.039	0.000	0.000	0.000	0.000
770	A	940	ASN	0	-0.008	-0.039	67.166	0.000	0.000	0.000	0.000	0.000	0.000
771	A	941	GLN	0	0.015	0.038	69.704	-0.002	-0.002	0.000	0.000	0.000	0.000
772	A	942	GLU	-1	-0.915	-0.963	73.048	0.027	0.027	0.000	0.000	0.000	0.000
773	A	943	SER	0	-0.061	-0.060	73.586	0.001	0.001	0.000	0.000	0.000	0.000
774	A	944	LEU	0	0.000	0.005	76.058	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	945	ILE	0	0.009	0.013	74.367	0.000	0.000	0.000	0.000	0.000	0.000
776	A	946	ASN	0	0.008	-0.019	78.035	0.000	0.000	0.000	0.000	0.000	0.000
777	A	947	ASN	0	-0.029	-0.019	81.076	0.000	0.000	0.000	0.000	0.000	0.000
778	A	948	GLN	0	-0.028	-0.002	80.559	-0.001	-0.001	0.000	0.000	0.000	0.000
779	A	949	PHE	0	-0.015	-0.007	76.386	0.000	0.000	0.000	0.000	0.000	0.000
780	A	950	LYS	1	0.985	0.976	77.334	-0.022	-0.022	0.000	0.000	0.000	0.000
781	A	951	MET	0	-0.019	0.003	72.007	0.000	0.000	0.000	0.000	0.000	0.000
782	A	952	ASN	0	0.056	0.018	72.762	0.001	0.001	0.000	0.000	0.000	0.000
783	A	953	LYS	1	0.955	0.987	67.668	-0.030	-0.030	0.000	0.000	0.000	0.000
784	A	954	ALA	0	0.060	0.056	64.837	0.000	0.000	0.000	0.000	0.000	0.000
785	A	955	GLY	0	-0.022	0.000	63.468	0.000	0.000	0.000	0.000	0.000	0.000
786	A	956	LEU	0	-0.053	-0.013	60.601	0.000	0.000	0.000	0.000	0.000	0.000
787	A	957	TYR	0	-0.017	-0.031	64.980	-0.002	-0.002	0.000	0.000	0.000	0.000
788	A	958	LEU	0	0.001	0.005	65.525	0.001	0.001	0.000	0.000	0.000	0.000
789	A	959	VAL	0	-0.012	-0.011	69.354	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	960	GLN	0	-0.017	-0.016	71.938	0.000	0.000	0.000	0.000	0.000	0.000
791	A	961	LYS	1	0.921	0.981	74.488	-0.020	-0.020	0.000	0.000	0.000	0.000
792	A	962	VAL	0	-0.002	0.003	76.036	0.000	0.000	0.000	0.000	0.000	0.000
793	A	963	GLY	0	0.048	0.041	78.458	0.000	0.000	0.000	0.000	0.000	0.000
794	A	964	ASN	0	-0.083	-0.060	81.912	0.001	0.001	0.000	0.000	0.000	0.000
795	A	965	ASP	-1	-0.903	-0.943	79.823	0.017	0.017	0.000	0.000	0.000	0.000
796	A	966	TYR	0	-0.012	-0.038	76.788	0.000	0.000	0.000	0.000	0.000	0.000
797	A	967	GLN	0	0.036	0.042	70.497	0.000	0.000	0.000	0.000	0.000	0.000
798	A	968	ASN	0	-0.066	-0.036	71.017	0.002	0.002	0.000	0.000	0.000	0.000
799	A	969	VAL	0	-0.004	0.009	65.755	-0.001	-0.001	0.000	0.000	0.000	0.000
800	A	970	TYR	0	-0.063	-0.062	65.447	0.001	0.001	0.000	0.000	0.000	0.000
801	A	971	TYR	0	0.009	0.008	56.056	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	972	GLN	0	0.061	0.049	60.709	0.001	0.001	0.000	0.000	0.000	0.000
803	A	973	PRO	0	-0.029	-0.028	57.954	0.000	0.000	0.000	0.000	0.000	0.000
804	A	974	GLN	0	0.028	-0.003	56.540	0.001	0.001	0.000	0.000	0.000	0.000
805	A	975	THR	0	-0.019	0.016	55.871	0.001	0.001	0.000	0.000	0.000	0.000
806	A	976	MET	0	-0.039	0.006	51.775	0.000	0.000	0.000	0.000	0.000	0.000
807	A	977	THR	0	0.000	-0.024	56.857	-0.002	-0.002	0.000	0.000	0.000	0.000
808	A	978	LYS	1	0.914	0.960	60.101	-0.027	-0.027	0.000	0.000	0.000	0.000
809	A	979	THR	0	-0.056	-0.031	62.315	-0.001	-0.001	0.000	0.000	0.000	0.000
810	A	980	ASP	-1	-0.860	-0.927	65.927	0.026	0.026	0.000	0.000	0.000	0.000
811	A	981	GLN	0	0.007	-0.011	68.114	0.000	0.000	0.000	0.000	0.000	0.000
812	A	982	LEU	0	-0.001	0.011	69.114	-0.001	-0.001	0.000	0.000	0.000	0.000
813	A	983	ALA	0	0.017	0.002	71.499	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	984	ILE	0	0.015	0.038	73.369	0.001	0.001	0.000	0.000	0.000	0.000

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