FMO DATABASE

FMODB ID: VKRL1

Calculation Name: 3S5I-A-Xray372

Preferred Name: Falcilysin

Target Type: SINGLE PROTEIN

Ligand Name:
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ligand 3-letter code:
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PDB ID: 3S5I

Chain ID: A

ChEMBL ID: CHEMBL4295876

UniProt ID: Q76NL8

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1093
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-38622197.071604
FMO2-HF: Nuclear repulsion	38178269.605649
FMO2-HF: Total energy	-443927.465955
FMO2-MP2: Total energy	-445233.866233

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:57:THR)

Summations of interaction energy for fragment #1(A:57:THR)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-3.049	-0.019	2.565	-2.098	-3.497	-0.005

Interaction energy analysis for fragmet #1(A:57:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.033 / q_NPA : -0.027

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	59	GLU	-1	-0.916	-0.961	3.865	-3.816	-2.311	-0.009	-0.739	-0.757	0.003
4	A	60	TRP	0	0.015	-0.001	6.117	0.394	0.394	0.000	0.000	0.000	0.000
5	A	61	ILE	0	0.006	0.002	2.109	-0.053	-0.054	2.294	-0.778	-1.515	-0.003
6	A	62	HIS	0	0.002	0.004	4.408	0.786	0.940	-0.001	-0.008	-0.145	0.000
7	A	63	GLU	-1	-0.971	-0.979	7.803	-0.387	-0.387	0.000	0.000	0.000	0.000
8	A	64	LYS	1	0.897	0.951	9.131	0.587	0.587	0.000	0.000	0.000	0.000
9	A	65	SER	0	-0.032	-0.021	9.714	0.057	0.057	0.000	0.000	0.000	0.000
10	A	66	PRO	0	-0.038	0.011	11.448	0.041	0.041	0.000	0.000	0.000	0.000
11	A	67	LYS	1	0.981	0.971	14.347	0.088	0.088	0.000	0.000	0.000	0.000
12	A	68	HIS	0	0.092	0.043	16.814	-0.009	-0.009	0.000	0.000	0.000	0.000
13	A	69	ASN	0	-0.015	-0.002	20.174	0.006	0.006	0.000	0.000	0.000	0.000
14	A	70	SER	0	-0.047	-0.042	23.288	0.009	0.009	0.000	0.000	0.000	0.000
15	A	71	TYR	0	-0.038	-0.034	20.130	0.006	0.006	0.000	0.000	0.000	0.000
16	A	72	ASP	-1	-0.917	-0.948	19.182	0.017	0.017	0.000	0.000	0.000	0.000
17	A	73	ILE	0	-0.055	-0.029	12.478	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	74	ILE	0	-0.041	-0.023	15.590	0.019	0.019	0.000	0.000	0.000	0.000
19	A	75	GLU	-1	-0.832	-0.916	11.893	0.092	0.092	0.000	0.000	0.000	0.000
20	A	76	LYS	1	0.930	0.962	7.085	-0.343	-0.343	0.000	0.000	0.000	0.000
21	A	77	ARG	1	0.756	0.876	6.519	-0.006	-0.006	0.000	0.000	0.000	0.000
22	A	78	TYR	0	-0.009	-0.019	2.688	-1.860	-0.488	0.281	-0.573	-1.080	-0.005
23	A	79	ASN	0	0.038	0.022	5.430	0.063	0.063	0.000	0.000	0.000	0.000
24	A	80	GLU	-1	-0.916	-0.969	5.404	1.136	1.136	0.000	0.000	0.000	0.000
25	A	81	GLU	-1	-0.834	-0.908	7.025	0.253	0.253	0.000	0.000	0.000	0.000
26	A	82	PHE	0	-0.025	-0.026	10.439	-0.024	-0.024	0.000	0.000	0.000	0.000
27	A	83	LYS	1	0.875	0.950	7.574	-0.099	-0.099	0.000	0.000	0.000	0.000
28	A	84	MET	0	0.018	0.028	8.580	-0.098	-0.098	0.000	0.000	0.000	0.000
29	A	85	THR	0	-0.046	-0.021	6.267	-0.010	-0.010	0.000	0.000	0.000	0.000
30	A	86	TYR	0	0.050	0.029	8.684	0.032	0.032	0.000	0.000	0.000	0.000
31	A	87	THR	0	-0.005	0.006	10.290	0.036	0.036	0.000	0.000	0.000	0.000
32	A	88	VAL	0	0.029	0.028	12.311	-0.017	-0.017	0.000	0.000	0.000	0.000
33	A	89	TYR	0	-0.039	-0.033	14.540	0.011	0.011	0.000	0.000	0.000	0.000
34	A	90	GLN	0	0.012	0.003	18.015	-0.002	-0.002	0.000	0.000	0.000	0.000
35	A	91	HIS	0	0.036	0.006	21.151	0.005	0.005	0.000	0.000	0.000	0.000
36	A	92	LYS	1	0.879	0.940	22.677	0.011	0.011	0.000	0.000	0.000	0.000
37	A	93	LYS	1	0.895	0.941	25.732	0.020	0.020	0.000	0.000	0.000	0.000
38	A	94	ALA	0	0.045	0.026	28.407	0.003	0.003	0.000	0.000	0.000	0.000
39	A	95	LYS	1	0.833	0.912	25.563	-0.006	-0.006	0.000	0.000	0.000	0.000
40	A	96	THR	0	0.043	0.026	25.016	0.002	0.002	0.000	0.000	0.000	0.000
41	A	97	GLN	0	-0.022	-0.013	20.432	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	98	VAL	0	0.014	0.012	18.943	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	99	ILE	0	-0.024	-0.008	16.012	0.002	0.002	0.000	0.000	0.000	0.000
44	A	100	SER	0	0.027	-0.004	14.554	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	101	LEU	0	-0.023	-0.016	13.231	-0.003	-0.003	0.000	0.000	0.000	0.000
46	A	102	GLY	0	0.003	0.002	11.412	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	103	THR	0	-0.026	-0.035	11.191	-0.025	-0.025	0.000	0.000	0.000	0.000
48	A	104	ASN	0	0.023	-0.014	10.155	-0.044	-0.044	0.000	0.000	0.000	0.000
49	A	105	ASP	-1	-0.833	-0.896	12.222	-0.104	-0.104	0.000	0.000	0.000	0.000
50	A	106	PRO	0	-0.002	-0.013	14.831	0.007	0.007	0.000	0.000	0.000	0.000
51	A	107	LEU	0	-0.028	-0.030	17.885	0.013	0.013	0.000	0.000	0.000	0.000
52	A	108	ASP	-1	-0.780	-0.865	16.316	-0.104	-0.104	0.000	0.000	0.000	0.000
53	A	109	VAL	0	-0.066	-0.047	19.209	-0.019	-0.019	0.000	0.000	0.000	0.000
54	A	110	GLU	-1	-0.878	-0.936	21.855	-0.056	-0.056	0.000	0.000	0.000	0.000
55	A	111	GLN	0	-0.049	-0.009	20.687	-0.024	-0.024	0.000	0.000	0.000	0.000
56	A	112	ALA	0	0.041	0.008	21.443	0.010	0.010	0.000	0.000	0.000	0.000
57	A	113	PHE	0	-0.010	-0.012	21.841	-0.008	-0.008	0.000	0.000	0.000	0.000
58	A	114	ALA	0	0.036	0.003	23.862	0.005	0.005	0.000	0.000	0.000	0.000
59	A	115	PHE	0	-0.023	0.000	24.897	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	116	TYR	0	-0.009	-0.034	23.907	0.002	0.002	0.000	0.000	0.000	0.000
61	A	117	VAL	0	0.002	-0.003	27.095	0.001	0.001	0.000	0.000	0.000	0.000
62	A	118	LYS	1	0.940	0.989	28.243	-0.023	-0.023	0.000	0.000	0.000	0.000
63	A	119	THR	0	-0.034	-0.021	30.532	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	120	LEU	0	0.022	0.018	32.529	0.000	0.000	0.000	0.000	0.000	0.000
65	A	121	THR	0	-0.008	0.001	35.961	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	122	HIS	1	0.798	0.864	38.964	-0.012	-0.012	0.000	0.000	0.000	0.000
67	A	123	SER	0	0.016	0.015	42.680	0.000	0.000	0.000	0.000	0.000	0.000
68	A	124	GLY	0	0.120	0.070	43.793	0.000	0.000	0.000	0.000	0.000	0.000
69	A	125	LYS	1	0.815	0.887	45.845	-0.006	-0.006	0.000	0.000	0.000	0.000
70	A	126	GLY	0	0.099	0.046	42.752	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	127	ILE	0	-0.064	-0.019	41.102	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	128	PRO	0	0.001	-0.009	37.130	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	129	HIS	0	0.018	0.023	38.353	-0.002	-0.002	0.000	0.000	0.000	0.000
74	A	130	ILE	0	0.002	0.001	39.968	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	131	LEU	0	-0.062	-0.020	38.494	-0.001	-0.001	0.000	0.000	0.000	0.000
76	A	132	GLU	-1	-0.859	-0.902	35.484	-0.007	-0.007	0.000	0.000	0.000	0.000
77	A	133	HIS	1	0.880	0.944	37.838	0.004	0.004	0.000	0.000	0.000	0.000
78	A	134	SER	0	-0.008	-0.019	40.809	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	135	VAL	0	-0.058	-0.035	36.436	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	136	LEU	0	0.028	0.011	35.253	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	137	SER	0	-0.050	-0.017	39.114	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	138	GLY	0	-0.005	0.012	41.280	0.001	0.001	0.000	0.000	0.000	0.000
83	A	139	SER	0	-0.024	-0.045	38.848	0.001	0.001	0.000	0.000	0.000	0.000
84	A	140	LYS	1	0.959	0.980	40.697	0.014	0.014	0.000	0.000	0.000	0.000
85	A	141	ASN	0	-0.096	-0.057	38.019	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	142	TYR	0	-0.007	0.006	35.655	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	143	ASN	0	0.007	0.018	41.203	0.002	0.002	0.000	0.000	0.000	0.000
88	A	144	TYR	0	-0.015	-0.010	42.454	0.000	0.000	0.000	0.000	0.000	0.000
89	A	145	LYS	1	0.841	0.906	45.045	0.013	0.013	0.000	0.000	0.000	0.000
90	A	146	ASN	0	0.033	0.005	43.188	0.001	0.001	0.000	0.000	0.000	0.000
91	A	147	SER	0	0.036	0.016	39.258	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	148	ILE	0	0.047	0.033	36.062	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	149	GLY	0	0.023	0.008	39.033	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	150	LEU	0	-0.038	-0.021	41.132	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	151	LEU	0	-0.011	-0.007	34.402	-0.002	-0.002	0.000	0.000	0.000	0.000
96	A	152	GLU	-1	-0.933	-0.956	37.584	-0.025	-0.025	0.000	0.000	0.000	0.000
97	A	153	LYS	1	0.861	0.935	38.824	0.020	0.020	0.000	0.000	0.000	0.000
98	A	154	GLY	0	-0.038	-0.022	39.455	0.000	0.000	0.000	0.000	0.000	0.000
99	A	155	THR	0	-0.020	0.003	33.998	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	156	LEU	0	-0.063	-0.033	31.964	0.001	0.001	0.000	0.000	0.000	0.000
101	A	157	HIS	0	-0.009	-0.010	30.935	-0.003	-0.003	0.000	0.000	0.000	0.000
102	A	158	THR	0	-0.061	-0.043	27.203	0.000	0.000	0.000	0.000	0.000	0.000
103	A	159	HIS	0	-0.035	-0.030	25.430	0.004	0.004	0.000	0.000	0.000	0.000
104	A	160	LEU	0	0.031	0.016	30.606	-0.004	-0.004	0.000	0.000	0.000	0.000
105	A	161	ASN	0	-0.041	-0.017	31.179	0.001	0.001	0.000	0.000	0.000	0.000
106	A	162	ALA	0	0.021	-0.002	32.213	-0.002	-0.002	0.000	0.000	0.000	0.000
107	A	163	TYR	0	0.005	0.018	30.099	0.000	0.000	0.000	0.000	0.000	0.000
108	A	164	THR	0	0.018	-0.017	32.911	0.000	0.000	0.000	0.000	0.000	0.000
109	A	165	PHE	0	-0.015	-0.001	29.080	0.001	0.001	0.000	0.000	0.000	0.000
110	A	166	ASN	0	0.001	0.018	33.593	0.001	0.001	0.000	0.000	0.000	0.000
111	A	167	ASP	-1	-0.709	-0.855	31.560	0.019	0.019	0.000	0.000	0.000	0.000
112	A	168	ARG	1	0.822	0.911	27.639	-0.016	-0.016	0.000	0.000	0.000	0.000
113	A	169	THR	0	0.008	0.009	31.305	0.000	0.000	0.000	0.000	0.000	0.000
114	A	170	VAL	0	-0.014	-0.008	26.744	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	171	TYR	0	-0.009	-0.016	29.392	0.000	0.000	0.000	0.000	0.000	0.000
116	A	172	MET	0	0.017	0.025	24.134	-0.005	-0.005	0.000	0.000	0.000	0.000
117	A	173	ALA	0	-0.003	0.010	27.257	0.002	0.002	0.000	0.000	0.000	0.000
118	A	174	GLY	0	0.041	0.016	26.278	-0.005	-0.005	0.000	0.000	0.000	0.000
119	A	175	SER	0	-0.013	-0.020	26.055	0.003	0.003	0.000	0.000	0.000	0.000
120	A	176	MET	0	-0.024	0.012	25.824	-0.009	-0.009	0.000	0.000	0.000	0.000
121	A	177	ASN	0	0.012	0.006	27.067	-0.006	-0.006	0.000	0.000	0.000	0.000
122	A	178	ASN	0	0.013	-0.001	24.289	0.000	0.000	0.000	0.000	0.000	0.000
123	A	179	LYS	1	0.893	0.934	26.665	0.073	0.073	0.000	0.000	0.000	0.000
124	A	180	ASP	-1	-0.753	-0.863	30.080	-0.047	-0.047	0.000	0.000	0.000	0.000
125	A	181	PHE	0	-0.028	-0.005	23.391	0.004	0.004	0.000	0.000	0.000	0.000
126	A	182	PHE	0	0.015	0.000	23.475	0.004	0.004	0.000	0.000	0.000	0.000
127	A	183	ASN	0	-0.011	0.005	28.957	0.004	0.004	0.000	0.000	0.000	0.000
128	A	184	ILE	0	0.017	0.012	30.316	0.004	0.004	0.000	0.000	0.000	0.000
129	A	185	MET	0	-0.041	-0.021	24.643	0.002	0.002	0.000	0.000	0.000	0.000
130	A	186	GLY	0	-0.003	-0.003	29.589	0.003	0.003	0.000	0.000	0.000	0.000
131	A	187	VAL	0	-0.001	0.009	32.137	0.004	0.004	0.000	0.000	0.000	0.000
132	A	188	TYR	0	0.009	0.000	31.146	0.003	0.003	0.000	0.000	0.000	0.000
133	A	189	MET	0	-0.032	0.000	29.141	0.003	0.003	0.000	0.000	0.000	0.000
134	A	190	ASP	-1	-0.719	-0.830	31.693	-0.019	-0.019	0.000	0.000	0.000	0.000
135	A	191	SER	0	-0.015	-0.004	35.271	0.003	0.003	0.000	0.000	0.000	0.000
136	A	192	VAL	0	-0.012	0.002	31.175	0.003	0.003	0.000	0.000	0.000	0.000
137	A	193	PHE	0	-0.014	-0.005	29.308	0.003	0.003	0.000	0.000	0.000	0.000
138	A	194	GLN	0	-0.108	-0.049	35.233	0.003	0.003	0.000	0.000	0.000	0.000
139	A	195	PRO	0	0.045	0.038	37.916	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	196	ASN	0	0.055	-0.003	40.500	0.001	0.001	0.000	0.000	0.000	0.000
141	A	197	VAL	0	-0.011	0.010	42.449	0.001	0.001	0.000	0.000	0.000	0.000
142	A	198	LEU	0	-0.055	-0.019	40.363	0.001	0.001	0.000	0.000	0.000	0.000
143	A	199	GLU	-1	-0.964	-0.979	44.887	-0.008	-0.008	0.000	0.000	0.000	0.000
144	A	200	ASN	0	-0.039	-0.006	47.806	0.001	0.001	0.000	0.000	0.000	0.000
145	A	201	LYS	1	0.973	0.985	49.137	0.002	0.002	0.000	0.000	0.000	0.000
146	A	202	TYR	0	0.060	0.028	51.126	0.000	0.000	0.000	0.000	0.000	0.000
147	A	203	ILE	0	-0.031	0.001	45.231	0.000	0.000	0.000	0.000	0.000	0.000
148	A	204	PHE	0	0.007	0.001	46.618	0.000	0.000	0.000	0.000	0.000	0.000
149	A	205	GLU	-1	-0.895	-0.953	48.326	-0.003	-0.003	0.000	0.000	0.000	0.000
150	A	206	THR	0	-0.065	-0.030	48.844	0.000	0.000	0.000	0.000	0.000	0.000
151	A	207	GLU	-1	-0.866	-0.968	44.921	-0.008	-0.008	0.000	0.000	0.000	0.000
152	A	208	GLY	0	0.018	0.019	46.459	0.001	0.001	0.000	0.000	0.000	0.000
153	A	209	TRP	0	-0.085	-0.043	47.979	0.000	0.000	0.000	0.000	0.000	0.000
154	A	210	THR	0	0.015	0.003	51.650	0.000	0.000	0.000	0.000	0.000	0.000
155	A	211	TYR	0	-0.001	-0.003	55.107	0.001	0.001	0.000	0.000	0.000	0.000
156	A	212	GLU	-1	-0.862	-0.929	58.464	-0.004	-0.004	0.000	0.000	0.000	0.000
157	A	213	VAL	0	-0.059	-0.039	60.056	0.001	0.001	0.000	0.000	0.000	0.000
158	A	214	GLU	-1	-0.911	-0.950	63.807	-0.003	-0.003	0.000	0.000	0.000	0.000
159	A	215	LYS	1	0.863	0.944	65.933	0.003	0.003	0.000	0.000	0.000	0.000
160	A	216	LEU	0	-0.026	0.010	69.681	0.000	0.000	0.000	0.000	0.000	0.000
161	A	217	LYS	1	0.944	0.966	68.578	0.001	0.001	0.000	0.000	0.000	0.000
162	A	218	GLU	-1	-0.889	-0.956	73.089	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	219	ASP	-1	-0.918	-0.963	73.741	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	220	GLU	-1	-0.798	-0.907	69.110	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	221	LYS	1	0.883	0.948	73.313	0.002	0.002	0.000	0.000	0.000	0.000
166	A	222	GLY	0	-0.031	-0.010	75.077	0.000	0.000	0.000	0.000	0.000	0.000
167	A	223	LYS	1	0.894	0.966	72.755	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	224	ALA	0	0.037	0.014	72.360	0.000	0.000	0.000	0.000	0.000	0.000
169	A	225	GLU	-1	-0.908	-0.967	69.151	0.002	0.002	0.000	0.000	0.000	0.000
170	A	226	ILE	0	-0.031	-0.012	67.663	0.000	0.000	0.000	0.000	0.000	0.000
171	A	227	PRO	0	-0.003	0.013	64.334	0.000	0.000	0.000	0.000	0.000	0.000
172	A	228	GLN	0	0.019	-0.001	67.409	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	229	MET	0	-0.012	-0.001	65.444	0.000	0.000	0.000	0.000	0.000	0.000
174	A	230	LYS	1	0.896	0.953	70.390	0.001	0.001	0.000	0.000	0.000	0.000
175	A	231	ASP	-1	-0.879	-0.960	72.261	-0.002	-0.002	0.000	0.000	0.000	0.000
176	A	232	TYR	0	0.027	0.016	67.355	0.000	0.000	0.000	0.000	0.000	0.000
177	A	233	LYS	1	0.910	0.950	64.820	0.001	0.001	0.000	0.000	0.000	0.000
178	A	234	VAL	0	-0.020	-0.017	62.585	0.000	0.000	0.000	0.000	0.000	0.000
179	A	235	SER	0	-0.032	-0.015	59.915	0.000	0.000	0.000	0.000	0.000	0.000
180	A	236	PHE	0	0.029	0.011	55.363	0.000	0.000	0.000	0.000	0.000	0.000
181	A	237	ASN	0	-0.001	0.005	54.310	0.000	0.000	0.000	0.000	0.000	0.000
182	A	238	GLY	0	0.027	0.006	51.008	0.000	0.000	0.000	0.000	0.000	0.000
183	A	239	ILE	0	-0.055	-0.008	45.186	0.000	0.000	0.000	0.000	0.000	0.000
184	A	240	VAL	0	0.047	0.023	43.555	0.001	0.001	0.000	0.000	0.000	0.000
185	A	241	TYR	0	-0.066	-0.088	46.207	0.001	0.001	0.000	0.000	0.000	0.000
186	A	242	ASN	0	-0.012	-0.026	49.556	0.001	0.001	0.000	0.000	0.000	0.000
187	A	243	GLU	-1	-0.970	-0.975	42.200	-0.002	-0.002	0.000	0.000	0.000	0.000
188	A	244	MET	0	-0.028	-0.008	42.985	0.000	0.000	0.000	0.000	0.000	0.000
189	A	245	LYS	1	0.806	0.884	47.063	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	246	GLY	0	-0.033	-0.013	49.454	0.000	0.000	0.000	0.000	0.000	0.000
191	A	247	ALA	0	0.009	-0.005	45.283	0.000	0.000	0.000	0.000	0.000	0.000
192	A	248	LEU	0	-0.048	-0.013	47.174	0.001	0.001	0.000	0.000	0.000	0.000
193	A	249	SER	0	-0.105	-0.042	49.996	0.001	0.001	0.000	0.000	0.000	0.000
194	A	250	SER	0	-0.009	-0.009	45.948	0.001	0.001	0.000	0.000	0.000	0.000
195	A	251	PRO	0	0.031	0.006	47.342	0.001	0.001	0.000	0.000	0.000	0.000
196	A	252	LEU	0	-0.007	-0.019	42.613	0.001	0.001	0.000	0.000	0.000	0.000
197	A	253	GLU	-1	-0.897	-0.942	41.334	0.008	0.008	0.000	0.000	0.000	0.000
198	A	254	ASP	-1	-0.866	-0.942	43.807	0.011	0.011	0.000	0.000	0.000	0.000
199	A	255	LEU	0	-0.035	-0.022	43.683	0.001	0.001	0.000	0.000	0.000	0.000
200	A	256	TYR	0	0.013	0.010	36.079	0.002	0.002	0.000	0.000	0.000	0.000
201	A	257	HIS	0	0.056	0.016	41.197	0.002	0.002	0.000	0.000	0.000	0.000
202	A	258	GLU	-1	-0.871	-0.942	43.264	0.014	0.014	0.000	0.000	0.000	0.000
203	A	259	GLU	-1	-0.849	-0.923	40.630	0.021	0.021	0.000	0.000	0.000	0.000
204	A	260	MET	0	0.001	0.010	36.829	0.002	0.002	0.000	0.000	0.000	0.000
205	A	261	LYS	1	0.910	0.964	40.882	-0.013	-0.013	0.000	0.000	0.000	0.000
206	A	262	TYR	0	-0.070	-0.041	43.976	0.000	0.000	0.000	0.000	0.000	0.000
207	A	263	MET	0	-0.070	-0.012	38.580	0.002	0.002	0.000	0.000	0.000	0.000
208	A	264	PHE	0	0.008	-0.020	34.310	0.002	0.002	0.000	0.000	0.000	0.000
209	A	265	PRO	0	-0.025	-0.004	40.073	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	266	ASP	-1	-0.855	-0.917	41.517	0.021	0.021	0.000	0.000	0.000	0.000
211	A	267	ASN	0	-0.038	-0.019	35.937	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	268	VAL	0	0.015	-0.012	36.187	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	269	HIS	0	-0.022	-0.026	32.862	0.001	0.001	0.000	0.000	0.000	0.000
214	A	270	SER	0	-0.032	0.006	37.748	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	271	ASN	0	-0.064	-0.016	40.686	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	272	ASN	0	0.055	0.012	40.433	0.000	0.000	0.000	0.000	0.000	0.000
217	A	273	SER	0	-0.071	-0.048	37.002	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	274	GLY	0	0.067	0.028	40.084	-0.001	-0.001	0.000	0.000	0.000	0.000
219	A	275	GLY	0	0.020	-0.007	41.368	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	276	ASP	-1	-0.840	-0.922	44.822	0.008	0.008	0.000	0.000	0.000	0.000
221	A	277	PRO	0	0.013	0.003	47.952	0.000	0.000	0.000	0.000	0.000	0.000
222	A	278	LYS	1	0.901	0.944	50.889	-0.006	-0.006	0.000	0.000	0.000	0.000
223	A	279	GLU	-1	-0.863	-0.928	48.747	0.008	0.008	0.000	0.000	0.000	0.000
224	A	280	ILE	0	0.027	0.029	46.805	0.000	0.000	0.000	0.000	0.000	0.000
225	A	281	THR	0	-0.004	0.006	49.602	0.000	0.000	0.000	0.000	0.000	0.000
226	A	282	ASN	0	-0.050	-0.029	52.187	0.000	0.000	0.000	0.000	0.000	0.000
227	A	283	LEU	0	-0.099	-0.024	46.111	0.000	0.000	0.000	0.000	0.000	0.000
228	A	284	THR	0	0.030	0.017	50.298	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	285	TYR	0	0.001	-0.042	47.394	0.000	0.000	0.000	0.000	0.000	0.000
230	A	286	GLU	-1	-0.912	-0.974	47.858	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	287	GLU	-1	-0.768	-0.874	46.945	0.004	0.004	0.000	0.000	0.000	0.000
232	A	288	PHE	0	-0.012	-0.011	43.167	0.000	0.000	0.000	0.000	0.000	0.000
233	A	289	LYS	1	0.951	0.978	43.111	0.003	0.003	0.000	0.000	0.000	0.000
234	A	290	GLU	-1	-0.958	-0.971	42.600	0.003	0.003	0.000	0.000	0.000	0.000
235	A	291	PHE	0	-0.033	-0.020	37.533	0.001	0.001	0.000	0.000	0.000	0.000
236	A	292	TYR	0	-0.012	-0.032	36.405	0.001	0.001	0.000	0.000	0.000	0.000
237	A	293	TYR	0	0.001	-0.005	37.583	0.000	0.000	0.000	0.000	0.000	0.000
238	A	294	LYS	1	0.910	0.974	36.979	-0.010	-0.010	0.000	0.000	0.000	0.000
239	A	295	ASN	0	-0.017	-0.018	34.269	0.003	0.003	0.000	0.000	0.000	0.000
240	A	296	TYR	0	0.031	0.039	32.921	0.000	0.000	0.000	0.000	0.000	0.000
241	A	297	ASN	0	-0.010	0.005	32.974	-0.003	-0.003	0.000	0.000	0.000	0.000
242	A	298	PRO	0	0.083	0.030	30.551	0.001	0.001	0.000	0.000	0.000	0.000
243	A	299	LYS	1	0.817	0.911	28.411	-0.008	-0.008	0.000	0.000	0.000	0.000
244	A	300	LYS	1	0.747	0.878	27.415	-0.006	-0.006	0.000	0.000	0.000	0.000
245	A	301	VAL	0	-0.003	0.019	27.419	0.001	0.001	0.000	0.000	0.000	0.000
246	A	302	LYS	1	0.882	0.955	22.357	-0.012	-0.012	0.000	0.000	0.000	0.000
247	A	303	VAL	0	0.011	0.008	22.958	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	304	PHE	0	0.028	0.006	18.621	-0.001	-0.001	0.000	0.000	0.000	0.000
249	A	305	PHE	0	-0.012	-0.007	17.571	-0.003	-0.003	0.000	0.000	0.000	0.000
250	A	306	PHE	0	0.026	0.014	15.414	-0.008	-0.008	0.000	0.000	0.000	0.000
251	A	307	SER	0	0.031	-0.006	16.259	0.001	0.001	0.000	0.000	0.000	0.000
252	A	308	LYS	1	0.896	0.952	14.970	0.166	0.166	0.000	0.000	0.000	0.000
253	A	309	ASN	0	-0.064	-0.022	15.087	-0.065	-0.065	0.000	0.000	0.000	0.000
254	A	310	ASN	0	0.041	0.026	14.696	0.032	0.032	0.000	0.000	0.000	0.000
255	A	311	PRO	0	0.053	0.029	14.461	0.018	0.018	0.000	0.000	0.000	0.000
256	A	312	THR	0	-0.032	-0.024	17.450	0.028	0.028	0.000	0.000	0.000	0.000
257	A	313	GLU	-1	-0.903	-0.947	19.663	-0.090	-0.090	0.000	0.000	0.000	0.000
258	A	314	LEU	0	0.051	0.028	20.426	0.012	0.012	0.000	0.000	0.000	0.000
259	A	315	LEU	0	-0.005	-0.007	17.586	0.012	0.012	0.000	0.000	0.000	0.000
260	A	316	ASN	0	0.011	0.004	22.074	0.014	0.014	0.000	0.000	0.000	0.000
261	A	317	PHE	0	0.014	0.016	25.098	0.007	0.007	0.000	0.000	0.000	0.000
262	A	318	VAL	0	0.045	0.009	24.349	0.006	0.006	0.000	0.000	0.000	0.000
263	A	319	ASP	-1	-0.864	-0.910	25.583	-0.031	-0.031	0.000	0.000	0.000	0.000
264	A	320	GLN	0	-0.040	-0.029	27.374	0.006	0.006	0.000	0.000	0.000	0.000
265	A	321	TYR	0	-0.009	-0.017	29.946	0.004	0.004	0.000	0.000	0.000	0.000
266	A	322	LEU	0	0.020	-0.002	27.197	0.004	0.004	0.000	0.000	0.000	0.000
267	A	323	GLY	0	-0.039	0.001	31.392	0.004	0.004	0.000	0.000	0.000	0.000
268	A	324	GLN	0	-0.064	-0.032	33.395	0.004	0.004	0.000	0.000	0.000	0.000
269	A	325	LEU	0	-0.002	0.019	33.112	0.001	0.001	0.000	0.000	0.000	0.000
270	A	326	ASP	-1	-0.832	-0.902	36.763	-0.007	-0.007	0.000	0.000	0.000	0.000
271	A	327	TYR	0	-0.052	-0.070	32.331	0.002	0.002	0.000	0.000	0.000	0.000
272	A	328	SER	0	-0.093	-0.055	37.693	0.002	0.002	0.000	0.000	0.000	0.000
273	A	329	LYS	1	0.912	0.958	40.055	0.007	0.007	0.000	0.000	0.000	0.000
274	A	330	TYR	0	-0.004	0.009	36.229	0.000	0.000	0.000	0.000	0.000	0.000
275	A	331	ARG	1	0.956	0.974	38.614	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	332	ASP	-1	-0.850	-0.936	38.020	0.012	0.012	0.000	0.000	0.000	0.000
277	A	333	ASP	-1	-0.792	-0.889	33.081	0.008	0.008	0.000	0.000	0.000	0.000
278	A	334	ALA	0	-0.040	-0.005	32.706	0.002	0.002	0.000	0.000	0.000	0.000
279	A	335	VAL	0	-0.015	-0.017	28.973	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	336	GLU	-1	-0.845	-0.902	32.241	0.018	0.018	0.000	0.000	0.000	0.000
281	A	337	SER	0	-0.014	-0.020	31.155	0.001	0.001	0.000	0.000	0.000	0.000
282	A	338	VAL	0	-0.006	-0.001	31.734	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	339	GLU	-1	-0.927	-0.954	32.626	0.033	0.033	0.000	0.000	0.000	0.000
284	A	340	TYR	0	-0.093	-0.099	28.416	-0.002	-0.002	0.000	0.000	0.000	0.000
285	A	341	GLN	0	-0.062	-0.029	34.834	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	342	THR	0	0.001	-0.008	37.455	0.002	0.002	0.000	0.000	0.000	0.000
287	A	343	TYR	0	0.040	0.018	39.779	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	344	LYS	1	0.929	0.974	41.287	-0.023	-0.023	0.000	0.000	0.000	0.000
289	A	345	LYS	1	0.937	0.963	44.549	-0.024	-0.024	0.000	0.000	0.000	0.000
290	A	346	GLY	0	0.006	0.039	46.167	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	347	PRO	0	-0.033	-0.052	46.805	0.000	0.000	0.000	0.000	0.000	0.000
292	A	348	PHE	0	-0.045	-0.022	44.042	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	349	TYR	0	-0.067	-0.057	48.635	0.000	0.000	0.000	0.000	0.000	0.000
294	A	350	ILE	0	-0.028	-0.013	49.071	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	351	LYS	1	0.834	0.938	51.806	-0.012	-0.012	0.000	0.000	0.000	0.000
296	A	352	LYS	1	0.854	0.938	50.040	-0.011	-0.011	0.000	0.000	0.000	0.000
297	A	353	LYS	1	0.903	0.966	53.481	-0.009	-0.009	0.000	0.000	0.000	0.000
298	A	354	TYR	0	0.039	0.003	52.192	0.000	0.000	0.000	0.000	0.000	0.000
299	A	355	GLY	0	-0.024	-0.015	54.269	0.000	0.000	0.000	0.000	0.000	0.000
300	A	356	ASP	-1	-0.773	-0.872	55.135	0.007	0.007	0.000	0.000	0.000	0.000
301	A	357	HIS	1	0.833	0.892	57.178	-0.004	-0.004	0.000	0.000	0.000	0.000
302	A	358	SER	0	-0.066	-0.034	57.089	0.000	0.000	0.000	0.000	0.000	0.000
303	A	359	GLU	-1	-0.914	-0.951	59.846	0.005	0.005	0.000	0.000	0.000	0.000
304	A	360	GLU	-1	-0.932	-0.964	59.563	0.008	0.008	0.000	0.000	0.000	0.000
305	A	361	LYS	1	0.790	0.910	57.958	-0.006	-0.006	0.000	0.000	0.000	0.000
306	A	362	GLU	-1	-0.730	-0.856	50.735	0.011	0.011	0.000	0.000	0.000	0.000
307	A	363	ASN	0	-0.032	-0.012	53.374	0.000	0.000	0.000	0.000	0.000	0.000
308	A	364	LEU	0	-0.005	-0.015	47.164	0.000	0.000	0.000	0.000	0.000	0.000
309	A	365	VAL	0	-0.007	0.009	47.822	0.000	0.000	0.000	0.000	0.000	0.000
310	A	366	SER	0	-0.063	-0.045	42.485	0.001	0.001	0.000	0.000	0.000	0.000
311	A	367	VAL	0	-0.019	-0.008	42.811	0.000	0.000	0.000	0.000	0.000	0.000
312	A	368	ALA	0	0.030	0.016	39.646	0.001	0.001	0.000	0.000	0.000	0.000
313	A	369	TRP	0	-0.035	-0.028	37.782	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	370	LEU	0	0.037	0.012	35.007	0.000	0.000	0.000	0.000	0.000	0.000
315	A	371	LEU	0	-0.054	-0.029	32.330	0.001	0.001	0.000	0.000	0.000	0.000
316	A	372	ASN	0	-0.007	-0.008	29.680	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	373	PRO	0	-0.009	0.007	33.533	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	374	LYS	1	0.965	0.981	34.787	-0.035	-0.035	0.000	0.000	0.000	0.000
319	A	375	VAL	0	-0.080	0.059	36.513	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	376	ASP	-1	-0.974	-0.978	39.211	0.029	0.029	0.000	0.000	0.000	0.000
321	A	399	GLY	0	-0.064	-0.040	30.467	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	400	SER	0	0.012	0.002	29.359	0.001	0.001	0.000	0.000	0.000	0.000
323	A	401	HIS	0	-0.014	0.114	28.785	-0.004	-0.004	0.000	0.000	0.000	0.000
324	A	402	SER	0	0.007	-0.052	33.331	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	403	SER	0	0.012	-0.010	33.350	0.001	0.001	0.000	0.000	0.000	0.000
326	A	404	ASP	-1	-0.939	-0.958	33.545	0.043	0.043	0.000	0.000	0.000	0.000
327	A	405	LEU	0	0.019	-0.004	34.610	0.001	0.001	0.000	0.000	0.000	0.000
328	A	406	SER	-1	-0.806	-0.988	30.433	0.057	0.057	0.000	0.000	0.000	0.000
329	A	407	LEU	0	0.011	-0.032	27.850	0.002	0.002	0.000	0.000	0.000	0.000
330	A	408	GLU	-1	-0.808	-0.878	25.474	0.057	0.057	0.000	0.000	0.000	0.000
331	A	409	ASN	0	-0.043	-0.012	22.528	0.010	0.010	0.000	0.000	0.000	0.000
332	A	410	PRO	0	0.046	0.007	18.052	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	411	THR	0	-0.053	-0.038	20.246	0.002	0.002	0.000	0.000	0.000	0.000
334	A	412	ASP	-1	-0.801	-0.908	21.904	0.076	0.076	0.000	0.000	0.000	0.000
335	A	413	TYR	0	0.016	0.013	20.940	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	414	PHE	0	0.004	-0.012	17.760	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	415	VAL	0	-0.022	-0.009	23.184	-0.002	-0.002	0.000	0.000	0.000	0.000
338	A	416	LEU	0	0.017	0.018	26.540	-0.005	-0.005	0.000	0.000	0.000	0.000
339	A	417	LEU	0	-0.013	0.003	22.492	-0.004	-0.004	0.000	0.000	0.000	0.000
340	A	418	ILE	0	-0.028	-0.021	24.642	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	419	ILE	0	-0.001	0.003	28.084	-0.004	-0.004	0.000	0.000	0.000	0.000
342	A	420	ASN	0	0.078	0.036	29.821	-0.006	-0.006	0.000	0.000	0.000	0.000
343	A	421	ASN	0	-0.025	0.008	28.977	-0.004	-0.004	0.000	0.000	0.000	0.000
344	A	422	LEU	0	0.029	0.006	31.445	-0.003	-0.003	0.000	0.000	0.000	0.000
345	A	423	LEU	0	-0.055	-0.022	33.971	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	424	ILE	0	-0.002	-0.003	34.344	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	425	HIS	0	0.017	0.048	31.542	-0.004	-0.004	0.000	0.000	0.000	0.000
348	A	426	THR	0	-0.033	-0.028	34.571	0.000	0.000	0.000	0.000	0.000	0.000
349	A	427	PRO	0	0.012	-0.020	37.187	0.001	0.001	0.000	0.000	0.000	0.000
350	A	428	GLU	-1	-0.806	-0.879	39.351	0.025	0.025	0.000	0.000	0.000	0.000
351	A	429	SER	0	-0.040	0.013	36.614	0.001	0.001	0.000	0.000	0.000	0.000
352	A	430	VAL	0	0.012	-0.007	38.270	-0.002	-0.002	0.000	0.000	0.000	0.000
353	A	431	LEU	0	-0.009	-0.018	39.017	-0.002	-0.002	0.000	0.000	0.000	0.000
354	A	432	TYR	0	0.022	0.034	39.171	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	433	LYS	1	0.892	0.945	41.749	-0.028	-0.028	0.000	0.000	0.000	0.000
356	A	434	ALA	0	-0.007	0.001	43.949	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	435	LEU	0	-0.001	-0.012	43.180	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	436	THR	0	-0.025	0.000	45.225	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	437	ASP	-1	-0.908	-0.965	47.713	0.020	0.020	0.000	0.000	0.000	0.000
360	A	438	CYS	0	-0.145	-0.033	49.721	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	439	GLY	0	0.008	0.000	51.431	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	440	LEU	0	0.037	-0.001	51.992	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	441	GLY	0	0.000	-0.009	51.041	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	442	ASN	0	-0.080	-0.032	50.826	0.000	0.000	0.000	0.000	0.000	0.000
365	A	443	ASN	0	-0.009	-0.031	45.010	0.001	0.001	0.000	0.000	0.000	0.000
366	A	444	VAL	0	0.017	0.024	41.601	0.000	0.000	0.000	0.000	0.000	0.000
367	A	445	ILE	0	-0.050	-0.014	40.867	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	446	ASP	-1	-0.888	-0.971	37.747	0.022	0.022	0.000	0.000	0.000	0.000
369	A	447	ARG	1	0.884	0.947	31.590	-0.023	-0.023	0.000	0.000	0.000	0.000
370	A	448	GLY	0	0.026	0.015	34.333	0.001	0.001	0.000	0.000	0.000	0.000
371	A	449	LEU	0	-0.025	-0.013	27.742	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	450	ASN	0	-0.017	0.009	31.076	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	451	ASP	-1	-0.824	-0.919	25.327	0.040	0.040	0.000	0.000	0.000	0.000
374	A	452	SER	0	-0.045	-0.021	26.637	0.000	0.000	0.000	0.000	0.000	0.000
375	A	453	LEU	0	0.002	-0.002	28.462	-0.003	-0.003	0.000	0.000	0.000	0.000
376	A	454	VAL	0	-0.002	-0.002	29.010	0.003	0.003	0.000	0.000	0.000	0.000
377	A	455	GLN	0	-0.050	-0.021	29.670	0.002	0.002	0.000	0.000	0.000	0.000
378	A	456	TYR	-1	-0.887	-0.944	25.046	0.055	0.055	0.000	0.000	0.000	0.000
379	A	457	ILE	0	-0.001	0.005	31.282	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	458	PHE	0	-0.042	-0.017	33.410	0.001	0.001	0.000	0.000	0.000	0.000
381	A	459	SER	0	0.005	0.001	35.538	0.000	0.000	0.000	0.000	0.000	0.000
382	A	460	ILE	0	-0.025	-0.008	38.173	0.001	0.001	0.000	0.000	0.000	0.000
383	A	461	GLY	0	0.066	0.025	40.742	0.000	0.000	0.000	0.000	0.000	0.000
384	A	462	LEU	0	-0.052	0.001	44.313	0.000	0.000	0.000	0.000	0.000	0.000
385	A	463	LYS	1	0.906	0.956	45.668	-0.011	-0.011	0.000	0.000	0.000	0.000
386	A	464	GLY	0	0.006	-0.025	48.827	0.000	0.000	0.000	0.000	0.000	0.000
387	A	465	ILE	0	-0.019	0.012	50.376	0.000	0.000	0.000	0.000	0.000	0.000
388	A	466	LYS	1	0.910	0.942	53.822	-0.010	-0.010	0.000	0.000	0.000	0.000
389	A	467	ARG	1	0.978	0.974	57.483	-0.009	-0.009	0.000	0.000	0.000	0.000
390	A	468	ASN	0	-0.021	-0.012	60.475	0.000	0.000	0.000	0.000	0.000	0.000
391	A	469	ASN	0	-0.039	0.001	55.907	0.000	0.000	0.000	0.000	0.000	0.000
392	A	470	GLU	-1	-0.858	-0.936	59.995	0.012	0.012	0.000	0.000	0.000	0.000
393	A	471	LYS	1	0.863	0.933	56.193	-0.014	-0.014	0.000	0.000	0.000	0.000
394	A	472	ILE	0	-0.060	-0.012	56.552	0.001	0.001	0.000	0.000	0.000	0.000
395	A	473	LYS	1	0.910	0.958	57.168	-0.017	-0.017	0.000	0.000	0.000	0.000
396	A	474	ASN	0	-0.013	-0.022	59.726	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	475	PHE	0	0.052	0.036	57.049	0.000	0.000	0.000	0.000	0.000	0.000
398	A	476	ASP	-1	-0.920	-0.962	58.176	0.012	0.012	0.000	0.000	0.000	0.000
399	A	477	LYS	1	0.896	0.931	57.073	-0.014	-0.014	0.000	0.000	0.000	0.000
400	A	478	VAL	0	0.082	0.052	53.897	0.001	0.001	0.000	0.000	0.000	0.000
401	A	479	HIS	0	0.042	0.007	50.893	0.001	0.001	0.000	0.000	0.000	0.000
402	A	480	TYR	0	-0.001	-0.002	50.897	0.001	0.001	0.000	0.000	0.000	0.000
403	A	481	GLU	-1	-0.814	-0.903	52.282	0.016	0.016	0.000	0.000	0.000	0.000
404	A	482	VAL	0	0.013	-0.001	47.588	0.001	0.001	0.000	0.000	0.000	0.000
405	A	483	GLU	-1	-0.751	-0.852	47.064	0.024	0.024	0.000	0.000	0.000	0.000
406	A	484	ASP	-1	-0.949	-0.968	47.882	0.021	0.021	0.000	0.000	0.000	0.000
407	A	485	VAL	0	-0.059	-0.028	47.179	0.001	0.001	0.000	0.000	0.000	0.000
408	A	486	ILE	0	0.023	0.014	42.741	0.001	0.001	0.000	0.000	0.000	0.000
409	A	487	MET	0	0.014	0.007	44.340	0.002	0.002	0.000	0.000	0.000	0.000
410	A	488	ASN	0	-0.052	-0.035	45.861	0.002	0.002	0.000	0.000	0.000	0.000
411	A	489	ALA	0	-0.003	0.009	43.913	0.001	0.001	0.000	0.000	0.000	0.000
412	A	490	LEU	0	0.002	0.000	39.476	0.002	0.002	0.000	0.000	0.000	0.000
413	A	491	LYS	1	0.978	0.979	42.396	-0.025	-0.025	0.000	0.000	0.000	0.000
414	A	492	LYS	1	0.871	0.952	44.876	-0.028	-0.028	0.000	0.000	0.000	0.000
415	A	493	VAL	0	0.013	0.010	39.401	0.001	0.001	0.000	0.000	0.000	0.000
416	A	494	VAL	0	0.015	0.016	39.299	0.002	0.002	0.000	0.000	0.000	0.000
417	A	495	LYS	1	0.889	0.949	41.198	-0.030	-0.030	0.000	0.000	0.000	0.000
418	A	496	GLU	-1	-0.968	-1.000	43.802	0.032	0.032	0.000	0.000	0.000	0.000
419	A	497	GLY	0	-0.016	0.004	39.407	0.001	0.001	0.000	0.000	0.000	0.000
420	A	498	PHE	0	0.005	-0.008	35.251	-0.002	-0.002	0.000	0.000	0.000	0.000
421	A	499	ASN	0	0.006	0.010	37.712	0.004	0.004	0.000	0.000	0.000	0.000
422	A	500	LYS	1	0.999	0.970	34.481	-0.055	-0.055	0.000	0.000	0.000	0.000
423	A	501	SER	0	0.020	0.010	33.489	0.005	0.005	0.000	0.000	0.000	0.000
424	A	502	ALA	0	0.023	0.017	33.579	0.001	0.001	0.000	0.000	0.000	0.000
425	A	503	VAL	0	0.011	0.013	29.796	0.001	0.001	0.000	0.000	0.000	0.000
426	A	504	GLU	-1	-0.951	-0.978	29.164	0.074	0.074	0.000	0.000	0.000	0.000
427	A	505	ALA	0	-0.008	-0.011	28.647	0.004	0.004	0.000	0.000	0.000	0.000
428	A	506	SER	0	0.009	-0.021	29.291	0.000	0.000	0.000	0.000	0.000	0.000
429	A	507	ILE	0	-0.029	-0.011	23.711	0.002	0.002	0.000	0.000	0.000	0.000
430	A	508	ASN	0	-0.034	-0.016	24.499	0.011	0.011	0.000	0.000	0.000	0.000
431	A	509	ASN	0	-0.002	0.002	24.966	0.001	0.001	0.000	0.000	0.000	0.000
432	A	510	ILE	0	0.032	0.016	22.116	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	511	GLU	-1	-0.815	-0.901	20.230	0.135	0.135	0.000	0.000	0.000	0.000
434	A	512	PHE	0	-0.065	-0.020	20.568	0.001	0.001	0.000	0.000	0.000	0.000
435	A	513	ILE	0	-0.010	-0.008	22.216	-0.006	-0.006	0.000	0.000	0.000	0.000
436	A	514	LEU	0	0.033	0.016	17.901	-0.009	-0.009	0.000	0.000	0.000	0.000
437	A	515	LYS	1	0.896	0.968	17.038	-0.107	-0.107	0.000	0.000	0.000	0.000
438	A	516	GLU	-1	-0.877	-0.986	18.370	0.005	0.005	0.000	0.000	0.000	0.000
439	A	517	ALA	0	-0.007	0.026	19.058	-0.014	-0.014	0.000	0.000	0.000	0.000
440	A	518	ASN	0	0.006	-0.003	13.025	-0.026	-0.026	0.000	0.000	0.000	0.000
441	A	519	LEU	0	-0.082	-0.047	16.894	-0.018	-0.018	0.000	0.000	0.000	0.000
442	A	520	LYS	1	0.925	0.975	19.569	-0.009	-0.009	0.000	0.000	0.000	0.000
443	A	521	THR	0	-0.008	-0.028	21.692	-0.012	-0.012	0.000	0.000	0.000	0.000
444	A	522	SER	0	0.009	0.005	23.665	0.008	0.008	0.000	0.000	0.000	0.000
445	A	523	LYS	1	0.838	0.942	15.544	0.085	0.085	0.000	0.000	0.000	0.000
446	A	524	SER	0	-0.023	-0.011	19.601	0.009	0.009	0.000	0.000	0.000	0.000
447	A	525	ILE	0	0.044	0.021	20.625	0.003	0.003	0.000	0.000	0.000	0.000
448	A	526	ASP	-1	-0.845	-0.927	22.588	0.006	0.006	0.000	0.000	0.000	0.000
449	A	527	PHE	0	-0.060	-0.036	15.990	0.003	0.003	0.000	0.000	0.000	0.000
450	A	528	VAL	0	0.021	0.011	19.599	0.005	0.005	0.000	0.000	0.000	0.000
451	A	529	PHE	0	-0.013	0.003	21.582	0.005	0.005	0.000	0.000	0.000	0.000
452	A	530	GLU	-1	-0.807	-0.894	19.276	0.045	0.045	0.000	0.000	0.000	0.000
453	A	531	MET	0	-0.044	-0.020	14.818	0.001	0.001	0.000	0.000	0.000	0.000
454	A	532	THR	0	-0.045	-0.038	19.860	0.005	0.005	0.000	0.000	0.000	0.000
455	A	533	SER	0	-0.023	0.000	23.249	0.004	0.004	0.000	0.000	0.000	0.000
456	A	534	LYS	1	0.888	0.949	19.549	-0.049	-0.049	0.000	0.000	0.000	0.000
457	A	535	LEU	0	0.006	-0.006	19.105	0.003	0.003	0.000	0.000	0.000	0.000
458	A	536	ASN	0	-0.031	0.021	22.606	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	537	TYR	0	-0.090	-0.076	25.236	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	538	ASN	0	-0.089	-0.037	23.277	0.002	0.002	0.000	0.000	0.000	0.000
461	A	539	ARG	1	0.885	0.942	21.249	-0.042	-0.042	0.000	0.000	0.000	0.000
462	A	540	ASP	-1	-0.773	-0.883	14.599	0.091	0.091	0.000	0.000	0.000	0.000
463	A	541	PRO	0	0.006	-0.004	15.616	0.000	0.000	0.000	0.000	0.000	0.000
464	A	542	LEU	0	0.001	-0.019	10.304	-0.012	-0.012	0.000	0.000	0.000	0.000
465	A	543	LEU	0	-0.024	0.008	13.967	0.013	0.013	0.000	0.000	0.000	0.000
466	A	544	ILE	0	0.015	0.005	16.014	0.015	0.015	0.000	0.000	0.000	0.000
467	A	545	PHE	0	0.001	-0.009	12.749	0.000	0.000	0.000	0.000	0.000	0.000
468	A	546	GLU	-1	-0.945	-0.959	10.107	0.173	0.173	0.000	0.000	0.000	0.000
469	A	547	PHE	0	0.012	-0.007	12.522	0.014	0.014	0.000	0.000	0.000	0.000
470	A	548	GLU	-1	-0.903	-0.951	12.616	0.239	0.239	0.000	0.000	0.000	0.000
471	A	549	LYS	1	0.905	0.963	12.930	-0.226	-0.226	0.000	0.000	0.000	0.000
472	A	550	TYR	0	0.029	-0.009	14.757	-0.010	-0.010	0.000	0.000	0.000	0.000
473	A	551	LEU	0	0.072	0.033	17.666	-0.015	-0.015	0.000	0.000	0.000	0.000
474	A	552	ASN	0	-0.035	-0.011	16.262	-0.030	-0.030	0.000	0.000	0.000	0.000
475	A	553	ILE	0	-0.056	-0.020	18.292	-0.012	-0.012	0.000	0.000	0.000	0.000
476	A	554	VAL	0	0.024	0.015	21.105	-0.011	-0.011	0.000	0.000	0.000	0.000
477	A	555	LYS	1	0.874	0.922	20.336	-0.160	-0.160	0.000	0.000	0.000	0.000
478	A	556	ASN	0	-0.045	-0.032	21.656	-0.014	-0.014	0.000	0.000	0.000	0.000
479	A	557	LYS	1	0.944	0.990	25.026	-0.103	-0.103	0.000	0.000	0.000	0.000
480	A	558	ILE	0	0.008	0.014	26.894	-0.007	-0.007	0.000	0.000	0.000	0.000
481	A	559	LYS	1	0.869	0.941	27.601	-0.104	-0.104	0.000	0.000	0.000	0.000
482	A	560	ASN	0	-0.039	-0.033	27.244	-0.008	-0.008	0.000	0.000	0.000	0.000
483	A	561	GLU	-1	-0.942	-0.959	29.184	0.081	0.081	0.000	0.000	0.000	0.000
484	A	562	PRO	0	-0.012	-0.016	32.415	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	563	MET	0	-0.027	-0.013	35.793	0.000	0.000	0.000	0.000	0.000	0.000
486	A	564	TYR	0	0.020	0.024	26.678	0.000	0.000	0.000	0.000	0.000	0.000
487	A	565	LEU	0	0.036	0.009	29.190	0.000	0.000	0.000	0.000	0.000	0.000
488	A	566	GLU	-1	-0.802	-0.905	32.956	0.052	0.052	0.000	0.000	0.000	0.000
489	A	567	LYS	1	0.952	0.969	35.273	-0.057	-0.057	0.000	0.000	0.000	0.000
490	A	568	PHE	0	0.043	0.031	29.799	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	569	VAL	0	0.014	-0.002	34.321	-0.002	-0.002	0.000	0.000	0.000	0.000
492	A	570	GLU	-1	-0.957	-0.984	36.716	0.036	0.036	0.000	0.000	0.000	0.000
493	A	571	LYN	0	-0.049	-0.018	34.405	-0.002	-0.002	0.000	0.000	0.000	0.000
494	A	572	HIS	0	0.046	0.013	32.579	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	573	PHE	0	-0.012	0.000	34.275	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	574	ILE	0	-0.056	-0.023	39.216	-0.002	-0.002	0.000	0.000	0.000	0.000
497	A	575	ASN	0	-0.041	-0.025	41.535	-0.003	-0.003	0.000	0.000	0.000	0.000
498	A	576	ASN	0	0.001	0.019	37.817	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	577	ALA	0	-0.021	-0.032	41.482	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	578	HIS	0	0.018	0.025	40.410	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	579	ARG	1	0.859	0.919	41.079	-0.026	-0.026	0.000	0.000	0.000	0.000
502	A	580	SER	0	0.003	0.014	43.239	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	581	VAL	0	0.002	0.008	44.896	0.001	0.001	0.000	0.000	0.000	0.000
504	A	582	ILE	0	0.015	0.001	45.336	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	583	LEU	0	-0.017	-0.010	48.753	0.000	0.000	0.000	0.000	0.000	0.000
506	A	584	LEU	0	-0.015	-0.005	48.373	0.000	0.000	0.000	0.000	0.000	0.000
507	A	585	GLU	-1	-0.948	-1.000	51.744	0.011	0.011	0.000	0.000	0.000	0.000
508	A	586	GLY	0	0.035	0.016	55.299	0.000	0.000	0.000	0.000	0.000	0.000
509	A	587	ASP	-1	-0.898	-0.977	56.418	0.007	0.007	0.000	0.000	0.000	0.000
510	A	588	GLU	-1	-0.845	-0.923	59.432	0.004	0.004	0.000	0.000	0.000	0.000
511	A	589	ASN	0	-0.009	-0.015	62.136	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	590	TYR	0	0.055	0.036	53.788	0.000	0.000	0.000	0.000	0.000	0.000
513	A	591	ALA	0	0.022	-0.002	57.303	0.000	0.000	0.000	0.000	0.000	0.000
514	A	592	GLN	0	-0.043	-0.020	58.382	0.000	0.000	0.000	0.000	0.000	0.000
515	A	593	GLU	-1	-0.902	-0.963	60.872	0.006	0.006	0.000	0.000	0.000	0.000
516	A	594	GLN	0	-0.009	-0.012	55.977	0.000	0.000	0.000	0.000	0.000	0.000
517	A	595	GLU	-1	-0.831	-0.918	57.396	0.002	0.002	0.000	0.000	0.000	0.000
518	A	596	ASN	0	-0.027	-0.012	60.081	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	597	LEU	0	-0.019	-0.001	58.878	0.000	0.000	0.000	0.000	0.000	0.000
520	A	598	GLU	-1	-0.757	-0.805	56.132	0.002	0.002	0.000	0.000	0.000	0.000
521	A	599	LYS	1	0.949	0.968	59.878	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	600	GLN	0	-0.046	-0.023	63.292	0.000	0.000	0.000	0.000	0.000	0.000
523	A	601	GLU	-1	-0.839	-0.903	58.736	0.003	0.003	0.000	0.000	0.000	0.000
524	A	602	LEU	0	-0.009	-0.008	60.091	0.000	0.000	0.000	0.000	0.000	0.000
525	A	603	LYS	1	0.888	0.936	62.877	-0.003	-0.003	0.000	0.000	0.000	0.000
526	A	604	LYS	1	0.985	1.012	62.275	-0.004	-0.004	0.000	0.000	0.000	0.000
527	A	605	ARG	1	0.752	0.856	56.154	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	606	ILE	0	-0.020	-0.013	64.171	0.000	0.000	0.000	0.000	0.000	0.000
529	A	607	GLU	-1	-1.000	-1.002	67.021	0.002	0.002	0.000	0.000	0.000	0.000
530	A	608	ASN	0	-0.052	-0.034	65.057	0.000	0.000	0.000	0.000	0.000	0.000
531	A	609	PHE	0	-0.031	0.020	61.994	0.000	0.000	0.000	0.000	0.000	0.000
532	A	610	ASN	0	0.031	0.022	67.507	0.000	0.000	0.000	0.000	0.000	0.000
533	A	611	GLU	-1	-0.830	-0.940	69.648	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	612	GLN	0	0.010	0.010	66.133	0.000	0.000	0.000	0.000	0.000	0.000
535	A	613	GLU	-1	-0.849	-0.941	65.265	0.000	0.000	0.000	0.000	0.000	0.000
536	A	614	LYS	1	0.846	0.913	65.760	0.000	0.000	0.000	0.000	0.000	0.000
537	A	615	GLU	-1	-0.948	-0.976	67.113	-0.002	-0.002	0.000	0.000	0.000	0.000
538	A	616	GLN	0	-0.017	-0.008	61.237	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	617	VAL	0	-0.011	-0.004	61.899	0.000	0.000	0.000	0.000	0.000	0.000
540	A	618	ILE	0	-0.021	-0.005	62.688	0.000	0.000	0.000	0.000	0.000	0.000
541	A	619	LYS	1	0.997	1.000	64.320	0.004	0.004	0.000	0.000	0.000	0.000
542	A	620	ASN	0	-0.035	-0.023	57.165	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	621	PHE	0	0.019	0.021	59.094	0.000	0.000	0.000	0.000	0.000	0.000
544	A	622	GLU	-1	-0.954	-0.981	60.358	-0.005	-0.005	0.000	0.000	0.000	0.000
545	A	623	GLU	-1	-0.947	-0.987	59.453	-0.007	-0.007	0.000	0.000	0.000	0.000
546	A	624	LEU	0	0.017	0.015	53.599	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	625	SER	0	-0.022	-0.017	56.240	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	626	LYS	1	0.890	0.954	58.043	0.006	0.006	0.000	0.000	0.000	0.000
549	A	627	TYR	0	0.009	0.007	48.806	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	628	LYS	1	0.953	0.964	52.765	0.005	0.005	0.000	0.000	0.000	0.000
551	A	629	ASN	0	-0.034	-0.024	53.895	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	630	ALA	0	-0.038	0.014	54.197	0.000	0.000	0.000	0.000	0.000	0.000
553	A	631	GLU	-1	-0.843	-0.913	53.944	-0.014	-0.014	0.000	0.000	0.000	0.000
554	A	632	GLU	-1	-0.859	-0.939	48.211	-0.017	-0.017	0.000	0.000	0.000	0.000
555	A	633	SER	0	0.004	0.002	52.173	0.000	0.000	0.000	0.000	0.000	0.000
556	A	634	PRO	0	0.129	0.041	50.860	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	635	GLU	-1	-0.942	-0.968	49.939	-0.022	-0.022	0.000	0.000	0.000	0.000
558	A	636	HIS	0	-0.089	-0.047	46.379	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	637	LEU	0	0.050	0.023	46.074	-0.001	-0.001	0.000	0.000	0.000	0.000
560	A	638	ASN	0	-0.049	-0.023	45.231	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	639	LYS	1	0.885	0.946	43.940	0.022	0.022	0.000	0.000	0.000	0.000
562	A	640	PHE	0	-0.007	0.014	38.532	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	641	PRO	0	-0.014	-0.002	36.486	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	642	ILE	0	-0.023	-0.005	38.040	0.001	0.001	0.000	0.000	0.000	0.000
565	A	643	ILE	0	-0.018	0.003	33.459	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	644	SER	0	-0.013	-0.031	36.608	0.003	0.003	0.000	0.000	0.000	0.000
567	A	645	ILE	0	0.087	0.023	37.613	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	646	SER	0	-0.066	-0.042	36.860	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	647	ASP	-1	-0.820	-0.882	33.334	-0.068	-0.068	0.000	0.000	0.000	0.000
570	A	648	LEU	0	0.008	0.021	33.327	-0.003	-0.003	0.000	0.000	0.000	0.000
571	A	649	ASN	0	-0.002	0.004	31.148	-0.005	-0.005	0.000	0.000	0.000	0.000
572	A	650	LYS	1	0.963	0.967	34.664	0.061	0.061	0.000	0.000	0.000	0.000
573	A	651	LYS	1	0.928	0.969	36.162	0.053	0.053	0.000	0.000	0.000	0.000
574	A	652	THR	0	0.069	0.049	35.680	-0.003	-0.003	0.000	0.000	0.000	0.000
575	A	653	LEU	0	0.019	0.021	29.963	0.000	0.000	0.000	0.000	0.000	0.000
576	A	654	GLU	-1	-0.796	-0.876	34.012	-0.032	-0.032	0.000	0.000	0.000	0.000
577	A	655	VAL	0	-0.047	-0.023	31.417	-0.004	-0.004	0.000	0.000	0.000	0.000
578	A	656	PRO	0	0.010	0.004	30.734	0.003	0.003	0.000	0.000	0.000	0.000
579	A	657	VAL	0	-0.002	-0.009	33.153	0.002	0.002	0.000	0.000	0.000	0.000
580	A	658	ASN	0	-0.016	0.006	33.772	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	659	VAL	0	0.019	0.008	36.572	0.003	0.003	0.000	0.000	0.000	0.000
582	A	660	TYR	0	-0.010	-0.026	37.169	-0.001	-0.001	0.000	0.000	0.000	0.000
583	A	661	PHE	0	0.002	0.008	40.008	0.002	0.002	0.000	0.000	0.000	0.000
584	A	662	THR	0	0.024	0.012	41.063	0.000	0.000	0.000	0.000	0.000	0.000
585	A	663	ASN	0	0.046	0.033	44.017	0.001	0.001	0.000	0.000	0.000	0.000
586	A	664	ILE	0	0.027	0.004	41.170	0.001	0.001	0.000	0.000	0.000	0.000
587	A	665	ASN	0	0.007	-0.004	43.659	0.000	0.000	0.000	0.000	0.000	0.000
588	A	666	GLU	-1	-0.902	-0.943	46.302	0.002	0.002	0.000	0.000	0.000	0.000
589	A	667	ASN	0	-0.048	-0.015	41.990	0.001	0.001	0.000	0.000	0.000	0.000
590	A	668	ASN	0	0.034	0.012	42.980	0.002	0.002	0.000	0.000	0.000	0.000
591	A	669	ASN	0	-0.040	-0.025	38.082	0.001	0.001	0.000	0.000	0.000	0.000
592	A	670	ILE	0	0.064	0.053	37.093	-0.002	-0.002	0.000	0.000	0.000	0.000
593	A	671	MET	0	0.041	0.033	31.011	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	672	GLU	-1	-0.867	-0.935	35.658	-0.012	-0.012	0.000	0.000	0.000	0.000
595	A	673	THR	0	-0.033	-0.020	37.312	-0.003	-0.003	0.000	0.000	0.000	0.000
596	A	674	TYR	0	-0.022	-0.023	32.003	-0.002	-0.002	0.000	0.000	0.000	0.000
597	A	675	ASN	0	0.038	0.031	32.805	-0.005	-0.005	0.000	0.000	0.000	0.000
598	A	676	LYS	1	0.904	0.948	35.407	0.007	0.007	0.000	0.000	0.000	0.000
599	A	677	LEU	0	-0.019	0.002	38.229	-0.002	-0.002	0.000	0.000	0.000	0.000
600	A	678	LYS	1	0.842	0.917	30.394	0.030	0.030	0.000	0.000	0.000	0.000
601	A	679	THR	0	-0.021	-0.001	35.408	-0.003	-0.003	0.000	0.000	0.000	0.000
602	A	680	ASN	0	-0.011	0.006	37.606	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	681	GLU	-1	-0.864	-0.948	39.511	-0.036	-0.036	0.000	0.000	0.000	0.000
604	A	682	HIS	0	-0.017	0.005	41.573	0.000	0.000	0.000	0.000	0.000	0.000
605	A	683	MET	0	-0.021	-0.015	43.290	0.002	0.002	0.000	0.000	0.000	0.000
606	A	684	LEU	0	0.002	0.002	37.644	0.002	0.002	0.000	0.000	0.000	0.000
607	A	685	LYS	1	0.895	0.936	41.763	0.022	0.022	0.000	0.000	0.000	0.000
608	A	686	ASP	-1	-0.882	-0.937	44.265	-0.016	-0.016	0.000	0.000	0.000	0.000
609	A	687	ASN	0	-0.059	-0.053	41.957	0.002	0.002	0.000	0.000	0.000	0.000
610	A	688	MET	0	0.028	0.021	40.520	0.002	0.002	0.000	0.000	0.000	0.000
611	A	689	ASP	-1	-0.819	-0.895	44.146	-0.019	-0.019	0.000	0.000	0.000	0.000
612	A	690	VAL	0	-0.073	-0.037	47.776	0.001	0.001	0.000	0.000	0.000	0.000
613	A	691	PHE	0	0.005	-0.005	42.905	0.001	0.001	0.000	0.000	0.000	0.000
614	A	692	LEU	0	0.035	0.018	44.743	0.001	0.001	0.000	0.000	0.000	0.000
615	A	693	LYS	1	0.944	0.967	47.844	0.012	0.012	0.000	0.000	0.000	0.000
616	A	694	LYS	1	0.903	0.946	49.894	0.006	0.006	0.000	0.000	0.000	0.000
617	A	695	TYR	0	-0.003	-0.014	46.703	0.001	0.001	0.000	0.000	0.000	0.000
618	A	696	VAL	0	0.001	0.028	45.884	0.000	0.000	0.000	0.000	0.000	0.000
619	A	697	LEU	0	-0.060	-0.032	48.658	0.001	0.001	0.000	0.000	0.000	0.000
620	A	698	LYS	1	0.938	0.985	52.208	0.010	0.010	0.000	0.000	0.000	0.000
621	A	721	THR	0	0.082	0.024	55.483	0.000	0.000	0.000	0.000	0.000	0.000
622	A	722	LYS	1	0.934	0.966	48.861	0.012	0.012	0.000	0.000	0.000	0.000
623	A	723	TYR	0	-0.006	0.000	46.803	0.000	0.000	0.000	0.000	0.000	0.000
624	A	724	GLU	-1	-0.921	-0.952	50.462	-0.004	-0.004	0.000	0.000	0.000	0.000
625	A	725	GLY	0	0.020	0.015	50.897	0.000	0.000	0.000	0.000	0.000	0.000
626	A	726	ASN	0	-0.109	-0.063	46.485	0.000	0.000	0.000	0.000	0.000	0.000
627	A	727	VAL	0	0.022	0.008	42.532	0.000	0.000	0.000	0.000	0.000	0.000
628	A	728	PRO	0	-0.028	0.012	42.496	0.000	0.000	0.000	0.000	0.000	0.000
629	A	729	ILE	0	0.001	-0.019	36.421	0.001	0.001	0.000	0.000	0.000	0.000
630	A	730	LEU	0	-0.008	-0.004	36.700	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	731	VAL	0	-0.020	-0.012	31.727	0.002	0.002	0.000	0.000	0.000	0.000
632	A	732	TYR	0	0.013	-0.028	30.262	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	733	GLU	-1	-0.788	-0.885	27.484	-0.028	-0.028	0.000	0.000	0.000	0.000
634	A	734	MET	0	-0.048	-0.017	25.067	-0.006	-0.006	0.000	0.000	0.000	0.000
635	A	735	PRO	0	0.045	0.022	19.849	0.008	0.008	0.000	0.000	0.000	0.000
636	A	736	THR	0	-0.041	-0.040	21.397	-0.003	-0.003	0.000	0.000	0.000	0.000
637	A	737	THR	0	-0.018	-0.005	15.539	0.006	0.006	0.000	0.000	0.000	0.000
638	A	738	GLY	0	0.003	-0.004	18.396	0.020	0.020	0.000	0.000	0.000	0.000
639	A	739	ILE	0	0.011	0.015	20.331	0.009	0.009	0.000	0.000	0.000	0.000
640	A	740	VAL	0	-0.032	0.000	23.357	-0.009	-0.009	0.000	0.000	0.000	0.000
641	A	741	TYR	0	-0.043	-0.031	24.293	0.002	0.002	0.000	0.000	0.000	0.000
642	A	742	LEU	0	-0.002	-0.004	29.363	-0.004	-0.004	0.000	0.000	0.000	0.000
643	A	743	GLN	0	0.024	0.014	32.959	0.001	0.001	0.000	0.000	0.000	0.000
644	A	744	PHE	0	0.015	0.008	36.133	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	745	VAL	0	0.017	0.003	39.444	0.001	0.001	0.000	0.000	0.000	0.000
646	A	746	PHE	0	0.020	0.015	42.029	0.000	0.000	0.000	0.000	0.000	0.000
647	A	747	SER	0	0.032	0.015	45.863	0.000	0.000	0.000	0.000	0.000	0.000
648	A	748	LEU	0	-0.006	-0.018	47.637	0.001	0.001	0.000	0.000	0.000	0.000
649	A	749	ASP	-1	-0.897	-0.939	50.976	-0.004	-0.004	0.000	0.000	0.000	0.000
650	A	750	HIS	0	-0.038	-0.043	51.970	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	751	LEU	0	-0.049	-0.022	51.582	0.001	0.001	0.000	0.000	0.000	0.000
652	A	752	THR	0	0.059	0.023	55.628	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	753	VAL	0	-0.006	-0.025	56.842	0.000	0.000	0.000	0.000	0.000	0.000
654	A	754	ASP	-1	-0.923	-0.952	57.292	0.002	0.002	0.000	0.000	0.000	0.000
655	A	755	GLU	-1	-0.815	-0.907	54.811	0.003	0.003	0.000	0.000	0.000	0.000
656	A	756	LEU	0	-0.022	-0.007	52.100	0.000	0.000	0.000	0.000	0.000	0.000
657	A	757	ALA	0	0.021	0.013	52.184	0.000	0.000	0.000	0.000	0.000	0.000
658	A	758	TYR	0	0.005	0.008	52.913	0.000	0.000	0.000	0.000	0.000	0.000
659	A	759	LEU	0	-0.020	-0.005	48.191	0.001	0.001	0.000	0.000	0.000	0.000
660	A	760	ASN	0	-0.002	0.000	46.484	0.002	0.002	0.000	0.000	0.000	0.000
661	A	761	LEU	0	0.074	0.029	46.701	0.001	0.001	0.000	0.000	0.000	0.000
662	A	762	PHE	0	0.020	0.015	46.940	0.001	0.001	0.000	0.000	0.000	0.000
663	A	763	LYS	1	0.886	0.932	41.650	-0.005	-0.005	0.000	0.000	0.000	0.000
664	A	764	THR	0	-0.047	-0.023	42.815	0.001	0.001	0.000	0.000	0.000	0.000
665	A	765	LEU	0	0.035	0.011	43.283	0.002	0.002	0.000	0.000	0.000	0.000
666	A	766	ILE	0	-0.029	-0.019	42.874	0.001	0.001	0.000	0.000	0.000	0.000
667	A	767	LEU	0	-0.036	-0.006	38.115	0.001	0.001	0.000	0.000	0.000	0.000
668	A	768	GLU	-1	-0.784	-0.878	39.775	0.021	0.021	0.000	0.000	0.000	0.000
669	A	769	ASN	0	0.005	0.003	41.952	0.001	0.001	0.000	0.000	0.000	0.000
670	A	770	LYS	1	0.948	0.984	44.401	-0.017	-0.017	0.000	0.000	0.000	0.000
671	A	771	THR	0	-0.048	-0.039	44.179	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	772	ASN	0	-0.040	-0.036	47.336	0.000	0.000	0.000	0.000	0.000	0.000
673	A	773	LYS	1	0.858	0.936	43.216	-0.025	-0.025	0.000	0.000	0.000	0.000
674	A	774	ARG	1	0.834	0.910	40.981	-0.029	-0.029	0.000	0.000	0.000	0.000
675	A	775	SER	0	0.057	0.037	44.880	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	776	SER	0	-0.010	-0.046	43.969	0.001	0.001	0.000	0.000	0.000	0.000
677	A	777	GLU	-1	-0.878	-0.933	41.036	0.034	0.034	0.000	0.000	0.000	0.000
678	A	778	ASP	-1	-0.884	-0.955	40.122	0.035	0.035	0.000	0.000	0.000	0.000
679	A	779	PHE	0	-0.082	-0.041	39.470	0.002	0.002	0.000	0.000	0.000	0.000
680	A	780	VAL	0	-0.003	-0.004	36.986	0.001	0.001	0.000	0.000	0.000	0.000
681	A	781	ILE	0	0.031	0.029	35.018	0.002	0.002	0.000	0.000	0.000	0.000
682	A	782	LEU	0	-0.041	-0.017	34.464	0.004	0.004	0.000	0.000	0.000	0.000
683	A	783	ARG	1	0.830	0.891	34.261	-0.027	-0.027	0.000	0.000	0.000	0.000
684	A	784	GLU	-1	-0.803	-0.901	31.681	0.041	0.041	0.000	0.000	0.000	0.000
685	A	785	LYS	1	0.890	0.970	30.127	-0.055	-0.055	0.000	0.000	0.000	0.000
686	A	786	ASN	0	-0.042	-0.032	29.198	0.009	0.009	0.000	0.000	0.000	0.000
687	A	787	ILE	0	-0.047	-0.024	29.590	0.000	0.000	0.000	0.000	0.000	0.000
688	A	788	GLY	0	0.031	0.021	27.176	0.000	0.000	0.000	0.000	0.000	0.000
689	A	789	SER	0	-0.009	-0.002	27.964	-0.003	-0.003	0.000	0.000	0.000	0.000
690	A	790	MET	0	0.022	0.010	30.589	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	791	SER	0	-0.029	-0.010	34.219	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	792	ALA	0	0.064	0.029	36.563	0.000	0.000	0.000	0.000	0.000	0.000
693	A	793	ASN	0	-0.074	-0.035	37.078	0.000	0.000	0.000	0.000	0.000	0.000
694	A	794	VAL	0	0.058	0.036	41.135	0.000	0.000	0.000	0.000	0.000	0.000
695	A	795	ALA	0	-0.025	0.002	41.979	0.000	0.000	0.000	0.000	0.000	0.000
696	A	796	LEU	0	0.027	0.008	44.009	0.000	0.000	0.000	0.000	0.000	0.000
697	A	797	TYR	0	-0.062	-0.039	45.310	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	798	SER	0	0.014	-0.002	47.329	0.001	0.001	0.000	0.000	0.000	0.000
699	A	799	LYS	1	0.922	0.971	48.576	0.011	0.011	0.000	0.000	0.000	0.000
700	A	800	ASP	-1	-0.828	-0.921	46.934	-0.016	-0.016	0.000	0.000	0.000	0.000
701	A	801	ASP	-1	-0.910	-0.968	50.308	-0.014	-0.014	0.000	0.000	0.000	0.000
702	A	802	HIS	1	0.816	0.886	50.241	0.019	0.019	0.000	0.000	0.000	0.000
703	A	803	LEU	0	0.014	0.011	48.182	0.000	0.000	0.000	0.000	0.000	0.000
704	A	804	ASN	0	-0.042	-0.023	51.810	0.000	0.000	0.000	0.000	0.000	0.000
705	A	805	VAL	0	-0.019	0.004	53.856	0.000	0.000	0.000	0.000	0.000	0.000
706	A	806	THR	0	-0.020	-0.003	52.702	0.001	0.001	0.000	0.000	0.000	0.000
707	A	807	ASP	-1	-0.853	-0.935	55.761	-0.008	-0.008	0.000	0.000	0.000	0.000
708	A	808	LYS	1	0.854	0.907	57.090	0.006	0.006	0.000	0.000	0.000	0.000
709	A	809	TYR	0	-0.048	-0.050	58.134	0.001	0.001	0.000	0.000	0.000	0.000
710	A	810	ASN	0	0.032	0.055	53.214	0.001	0.001	0.000	0.000	0.000	0.000
711	A	811	ALA	0	-0.006	-0.016	52.203	0.000	0.000	0.000	0.000	0.000	0.000
712	A	812	GLN	0	0.039	0.030	49.803	0.000	0.000	0.000	0.000	0.000	0.000
713	A	813	ALA	0	0.027	0.008	48.042	0.000	0.000	0.000	0.000	0.000	0.000
714	A	814	LEU	0	-0.023	-0.001	43.336	0.000	0.000	0.000	0.000	0.000	0.000
715	A	815	PHE	0	0.041	0.017	42.972	0.000	0.000	0.000	0.000	0.000	0.000
716	A	816	ASN	0	-0.037	-0.037	37.179	0.001	0.001	0.000	0.000	0.000	0.000
717	A	817	LEU	0	0.031	0.018	38.664	0.001	0.001	0.000	0.000	0.000	0.000
718	A	818	GLU	-1	-0.772	-0.867	32.820	0.001	0.001	0.000	0.000	0.000	0.000
719	A	819	MET	0	-0.023	-0.008	32.492	0.003	0.003	0.000	0.000	0.000	0.000
720	A	820	HIS	1	0.791	0.887	27.293	-0.015	-0.015	0.000	0.000	0.000	0.000
721	A	821	VAL	0	0.064	0.029	27.400	0.004	0.004	0.000	0.000	0.000	0.000
722	A	822	LEU	0	0.083	0.045	21.580	-0.002	-0.002	0.000	0.000	0.000	0.000
723	A	823	SER	0	0.026	-0.005	23.528	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	824	HIS	0	-0.007	-0.009	23.031	-0.008	-0.008	0.000	0.000	0.000	0.000
725	A	825	LYS	1	0.893	0.954	26.533	-0.065	-0.065	0.000	0.000	0.000	0.000
726	A	826	CYS	0	-0.031	-0.004	28.655	-0.006	-0.006	0.000	0.000	0.000	0.000
727	A	827	ASN	0	0.100	0.069	31.009	-0.006	-0.006	0.000	0.000	0.000	0.000
728	A	828	ASP	-1	-0.909	-0.957	31.858	0.046	0.046	0.000	0.000	0.000	0.000
729	A	829	ALA	0	0.015	-0.001	32.034	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	830	LEU	0	-0.023	-0.011	34.025	-0.003	-0.003	0.000	0.000	0.000	0.000
731	A	831	ASN	0	-0.008	-0.008	36.907	-0.004	-0.004	0.000	0.000	0.000	0.000
732	A	832	ILE	0	-0.025	-0.010	34.736	-0.001	-0.001	0.000	0.000	0.000	0.000
733	A	833	ALA	0	0.015	0.003	37.896	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	834	LEU	0	-0.006	0.002	39.561	-0.002	-0.002	0.000	0.000	0.000	0.000
735	A	835	GLU	-1	-0.763	-0.852	41.915	0.025	0.025	0.000	0.000	0.000	0.000
736	A	836	ALA	0	-0.005	-0.006	41.097	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	837	VAL	0	-0.024	0.004	43.034	-0.001	-0.001	0.000	0.000	0.000	0.000
738	A	838	LYS	1	0.922	0.970	45.526	-0.015	-0.015	0.000	0.000	0.000	0.000
739	A	839	GLU	-1	-0.917	-0.957	46.606	0.016	0.016	0.000	0.000	0.000	0.000
740	A	840	SER	0	0.013	0.024	46.635	0.001	0.001	0.000	0.000	0.000	0.000
741	A	841	ASP	-1	-0.789	-0.887	48.149	0.014	0.014	0.000	0.000	0.000	0.000
742	A	842	PHE	0	-0.022	-0.027	49.233	0.000	0.000	0.000	0.000	0.000	0.000
743	A	843	SER	0	-0.018	-0.015	52.786	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	844	ASN	0	-0.050	-0.027	49.015	0.000	0.000	0.000	0.000	0.000	0.000
745	A	845	LYS	1	0.961	0.971	52.355	-0.011	-0.011	0.000	0.000	0.000	0.000
746	A	846	LYS	1	0.885	0.948	49.757	-0.019	-0.019	0.000	0.000	0.000	0.000
747	A	847	LYS	1	0.884	0.956	44.159	-0.020	-0.020	0.000	0.000	0.000	0.000
748	A	848	VAL	0	0.031	0.004	49.462	0.000	0.000	0.000	0.000	0.000	0.000
749	A	849	ILE	0	0.021	0.005	51.505	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	850	ASP	-1	-0.887	-0.939	48.017	0.017	0.017	0.000	0.000	0.000	0.000
751	A	851	ILE	0	-0.081	-0.045	45.939	0.000	0.000	0.000	0.000	0.000	0.000
752	A	852	LEU	0	0.005	-0.002	48.281	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	853	LYS	1	0.997	1.007	51.143	-0.013	-0.013	0.000	0.000	0.000	0.000
754	A	854	ARG	1	0.874	0.930	42.656	-0.017	-0.017	0.000	0.000	0.000	0.000
755	A	855	LYS	1	0.812	0.921	44.142	-0.010	-0.010	0.000	0.000	0.000	0.000
756	A	856	ILE	0	0.034	0.031	48.117	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	857	ASN	0	-0.028	-0.009	48.302	0.000	0.000	0.000	0.000	0.000	0.000
758	A	858	GLY	0	0.030	0.008	46.207	0.000	0.000	0.000	0.000	0.000	0.000
759	A	859	MET	0	-0.011	-0.004	46.958	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	860	LYS	1	0.947	0.999	49.008	-0.006	-0.006	0.000	0.000	0.000	0.000
761	A	861	THR	0	-0.007	-0.006	46.353	0.000	0.000	0.000	0.000	0.000	0.000
762	A	862	THR	0	-0.051	-0.032	45.547	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	863	PHE	0	0.005	-0.008	47.872	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	864	SER	0	-0.024	-0.015	50.375	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	865	GLU	-1	-0.844	-0.897	45.291	0.005	0.005	0.000	0.000	0.000	0.000
766	A	866	LYS	1	0.859	0.916	40.162	0.000	0.000	0.000	0.000	0.000	0.000
767	A	867	GLY	0	0.103	0.061	46.898	0.000	0.000	0.000	0.000	0.000	0.000
768	A	868	TYR	0	0.043	0.009	43.220	0.000	0.000	0.000	0.000	0.000	0.000
769	A	869	ALA	0	-0.042	-0.020	45.350	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	870	ILE	0	-0.014	0.006	47.214	0.000	0.000	0.000	0.000	0.000	0.000
771	A	871	LEU	0	-0.010	-0.012	50.064	0.000	0.000	0.000	0.000	0.000	0.000
772	A	872	MET	0	-0.023	0.012	46.943	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	873	LYS	1	0.917	0.957	45.065	0.006	0.006	0.000	0.000	0.000	0.000
774	A	874	TYR	0	-0.046	-0.051	50.876	0.000	0.000	0.000	0.000	0.000	0.000
775	A	875	VAL	0	-0.008	0.010	53.651	0.000	0.000	0.000	0.000	0.000	0.000
776	A	876	LYS	1	0.895	0.943	50.811	0.009	0.009	0.000	0.000	0.000	0.000
777	A	877	ALA	0	-0.049	-0.028	55.623	0.000	0.000	0.000	0.000	0.000	0.000
778	A	878	HIS	0	0.020	-0.005	56.520	0.000	0.000	0.000	0.000	0.000	0.000
779	A	879	LEU	0	0.038	0.042	56.966	0.000	0.000	0.000	0.000	0.000	0.000
780	A	880	ASN	0	0.005	0.002	54.479	0.000	0.000	0.000	0.000	0.000	0.000
781	A	881	SER	0	0.071	0.019	56.646	0.001	0.001	0.000	0.000	0.000	0.000
782	A	882	LYS	1	0.989	1.009	47.288	0.011	0.011	0.000	0.000	0.000	0.000
783	A	883	HIS	0	-0.031	-0.027	50.629	0.000	0.000	0.000	0.000	0.000	0.000
784	A	884	TYR	0	0.002	0.014	53.295	0.001	0.001	0.000	0.000	0.000	0.000
785	A	885	ALA	0	0.015	0.000	52.632	0.001	0.001	0.000	0.000	0.000	0.000
786	A	886	HIS	0	0.027	-0.001	46.281	0.000	0.000	0.000	0.000	0.000	0.000
787	A	887	ASN	0	0.021	-0.002	50.924	0.001	0.001	0.000	0.000	0.000	0.000
788	A	888	ILE	0	0.016	0.012	53.425	0.001	0.001	0.000	0.000	0.000	0.000
789	A	889	ILE	0	-0.031	-0.005	48.117	0.001	0.001	0.000	0.000	0.000	0.000
790	A	890	TYR	0	-0.100	-0.076	44.219	0.002	0.002	0.000	0.000	0.000	0.000
791	A	891	GLY	0	-0.031	0.003	48.912	0.000	0.000	0.000	0.000	0.000	0.000
792	A	892	TYR	0	0.079	0.027	51.148	0.001	0.001	0.000	0.000	0.000	0.000
793	A	893	GLU	-1	-0.871	-0.946	54.235	0.002	0.002	0.000	0.000	0.000	0.000
794	A	894	ASN	0	0.002	0.006	50.760	0.001	0.001	0.000	0.000	0.000	0.000
795	A	895	TYR	0	-0.033	-0.034	52.627	0.001	0.001	0.000	0.000	0.000	0.000
796	A	896	LEU	0	0.024	0.018	53.949	0.001	0.001	0.000	0.000	0.000	0.000
797	A	897	LYS	1	0.925	0.962	55.402	-0.002	-0.002	0.000	0.000	0.000	0.000
798	A	898	LEU	0	-0.057	-0.028	50.228	0.001	0.001	0.000	0.000	0.000	0.000
799	A	899	GLN	0	0.021	-0.002	54.654	0.000	0.000	0.000	0.000	0.000	0.000
800	A	900	GLU	-1	-0.905	-0.938	57.436	0.004	0.004	0.000	0.000	0.000	0.000
801	A	901	GLN	0	-0.069	-0.045	53.878	0.001	0.001	0.000	0.000	0.000	0.000
802	A	902	LEU	0	-0.029	-0.020	55.160	0.001	0.001	0.000	0.000	0.000	0.000
803	A	903	GLU	-1	-0.833	-0.916	57.341	0.007	0.007	0.000	0.000	0.000	0.000
804	A	904	LEU	0	-0.006	0.005	59.452	0.000	0.000	0.000	0.000	0.000	0.000
805	A	905	ALA	0	-0.043	-0.038	56.809	0.000	0.000	0.000	0.000	0.000	0.000
806	A	906	GLU	-1	-0.975	-1.002	58.851	0.010	0.010	0.000	0.000	0.000	0.000
807	A	907	ASN	0	-0.075	-0.032	61.013	0.000	0.000	0.000	0.000	0.000	0.000
808	A	908	ASP	-1	-0.881	-0.922	62.953	0.007	0.007	0.000	0.000	0.000	0.000
809	A	909	PHE	0	-0.005	0.011	54.967	0.000	0.000	0.000	0.000	0.000	0.000
810	A	910	LYS	1	0.935	0.974	59.713	-0.010	-0.010	0.000	0.000	0.000	0.000
811	A	911	THR	0	-0.004	-0.031	60.970	0.000	0.000	0.000	0.000	0.000	0.000
812	A	912	LEU	0	0.000	0.012	54.804	0.000	0.000	0.000	0.000	0.000	0.000
813	A	913	GLU	-1	-0.891	-0.957	56.162	0.011	0.011	0.000	0.000	0.000	0.000
814	A	914	ASN	0	-0.025	-0.035	56.609	0.000	0.000	0.000	0.000	0.000	0.000
815	A	915	ILE	0	0.007	0.018	55.912	0.000	0.000	0.000	0.000	0.000	0.000
816	A	916	LEU	0	-0.024	-0.011	51.582	0.000	0.000	0.000	0.000	0.000	0.000
817	A	917	VAL	0	0.013	0.013	53.068	0.000	0.000	0.000	0.000	0.000	0.000
818	A	918	ARG	1	0.933	0.977	54.441	-0.004	-0.004	0.000	0.000	0.000	0.000
819	A	919	ILE	0	0.037	0.012	50.847	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	920	ARG	1	0.860	0.931	48.793	-0.011	-0.011	0.000	0.000	0.000	0.000
821	A	921	ASN	0	-0.024	-0.020	50.742	0.000	0.000	0.000	0.000	0.000	0.000
822	A	922	LYS	1	0.799	0.903	53.232	-0.003	-0.003	0.000	0.000	0.000	0.000
823	A	923	ILE	0	-0.002	0.021	47.005	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	924	PHE	0	-0.042	-0.016	43.719	0.000	0.000	0.000	0.000	0.000	0.000
825	A	925	ASN	0	0.021	0.027	48.266	0.000	0.000	0.000	0.000	0.000	0.000
826	A	926	LYS	1	0.948	0.972	47.304	-0.002	-0.002	0.000	0.000	0.000	0.000
827	A	927	LYS	1	0.871	0.941	48.245	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	928	ASN	0	-0.017	-0.008	49.043	-0.002	-0.002	0.000	0.000	0.000	0.000
829	A	929	LEU	0	-0.067	-0.008	41.826	0.000	0.000	0.000	0.000	0.000	0.000
830	A	930	MET	0	-0.017	-0.009	42.035	-0.002	-0.002	0.000	0.000	0.000	0.000
831	A	931	VAL	0	0.008	0.009	36.802	0.001	0.001	0.000	0.000	0.000	0.000
832	A	932	SER	0	-0.020	0.008	34.634	-0.002	-0.002	0.000	0.000	0.000	0.000
833	A	933	VAL	0	0.020	0.002	30.553	0.004	0.004	0.000	0.000	0.000	0.000
834	A	934	THR	0	-0.036	-0.009	27.049	-0.005	-0.005	0.000	0.000	0.000	0.000
835	A	935	SER	0	0.022	-0.009	25.524	0.009	0.009	0.000	0.000	0.000	0.000
836	A	936	ASP	-1	-0.794	-0.865	21.011	-0.026	-0.026	0.000	0.000	0.000	0.000
837	A	937	TYR	0	0.003	-0.037	24.175	0.008	0.008	0.000	0.000	0.000	0.000
838	A	938	GLY	0	-0.014	-0.011	23.858	0.005	0.005	0.000	0.000	0.000	0.000
839	A	939	ALA	0	-0.042	-0.020	23.348	0.010	0.010	0.000	0.000	0.000	0.000
840	A	940	LEU	0	0.064	0.031	25.236	0.005	0.005	0.000	0.000	0.000	0.000
841	A	941	LYS	1	0.990	1.001	24.863	-0.032	-0.032	0.000	0.000	0.000	0.000
842	A	942	HIS	0	-0.030	-0.021	23.996	0.001	0.001	0.000	0.000	0.000	0.000
843	A	943	LEU	0	0.023	0.031	29.231	0.002	0.002	0.000	0.000	0.000	0.000
844	A	944	PHE	0	0.002	-0.028	32.159	0.000	0.000	0.000	0.000	0.000	0.000
845	A	945	VAL	0	-0.024	-0.014	32.374	-0.002	-0.002	0.000	0.000	0.000	0.000
846	A	946	ASN	0	-0.012	-0.015	29.170	-0.001	-0.001	0.000	0.000	0.000	0.000
847	A	947	SER	0	0.001	0.006	32.660	0.004	0.004	0.000	0.000	0.000	0.000
848	A	948	ASN	0	-0.056	-0.019	35.101	-0.002	-0.002	0.000	0.000	0.000	0.000
849	A	949	GLU	-1	-0.878	-0.940	38.043	0.020	0.020	0.000	0.000	0.000	0.000
850	A	950	SER	0	0.026	-0.007	36.652	-0.002	-0.002	0.000	0.000	0.000	0.000
851	A	951	LEU	0	0.010	-0.002	37.175	-0.002	-0.002	0.000	0.000	0.000	0.000
852	A	952	LYS	1	0.798	0.884	39.628	-0.010	-0.010	0.000	0.000	0.000	0.000
853	A	953	ASN	0	0.031	0.007	42.692	-0.002	-0.002	0.000	0.000	0.000	0.000
854	A	954	LEU	0	-0.044	-0.002	39.775	-0.001	-0.001	0.000	0.000	0.000	0.000
855	A	955	VAL	0	-0.005	-0.021	42.325	-0.001	-0.001	0.000	0.000	0.000	0.000
856	A	956	SER	0	0.023	0.011	44.941	-0.001	-0.001	0.000	0.000	0.000	0.000
857	A	957	TYR	0	0.006	0.009	46.595	0.000	0.000	0.000	0.000	0.000	0.000
858	A	958	PHE	0	0.000	-0.018	42.658	-0.001	-0.001	0.000	0.000	0.000	0.000
859	A	959	GLU	-1	-0.947	-0.981	48.377	0.003	0.003	0.000	0.000	0.000	0.000
860	A	960	GLU	-1	-0.895	-0.935	51.012	0.009	0.009	0.000	0.000	0.000	0.000
861	A	961	ASN	0	-0.079	-0.058	50.290	0.000	0.000	0.000	0.000	0.000	0.000
862	A	962	ASP	-1	-0.771	-0.910	52.220	0.001	0.001	0.000	0.000	0.000	0.000
863	A	963	LYS	1	0.895	0.958	54.501	-0.007	-0.007	0.000	0.000	0.000	0.000
864	A	964	TYR	0	-0.073	-0.035	55.190	0.000	0.000	0.000	0.000	0.000	0.000
865	A	965	ILE	0	-0.066	-0.036	53.139	0.000	0.000	0.000	0.000	0.000	0.000
866	A	966	ASN	0	-0.029	-0.013	57.652	0.000	0.000	0.000	0.000	0.000	0.000
867	A	967	ASP	-1	-0.831	-0.912	59.891	0.000	0.000	0.000	0.000	0.000	0.000
868	A	968	MET	0	-0.014	-0.006	61.019	-0.001	-0.001	0.000	0.000	0.000	0.000
869	A	969	GLN	0	-0.086	-0.032	59.581	0.000	0.000	0.000	0.000	0.000	0.000
870	A	970	ASN	0	0.000	0.005	64.108	0.000	0.000	0.000	0.000	0.000	0.000
871	A	971	LYS	1	0.889	0.929	67.837	0.003	0.003	0.000	0.000	0.000	0.000
872	A	972	VAL	0	-0.008	-0.009	71.112	0.000	0.000	0.000	0.000	0.000	0.000
873	A	973	ASN	0	0.023	0.019	66.869	0.000	0.000	0.000	0.000	0.000	0.000
874	A	974	ASP	-1	-0.898	-0.937	65.640	0.000	0.000	0.000	0.000	0.000	0.000
875	A	975	PRO	0	-0.020	-0.019	67.726	0.000	0.000	0.000	0.000	0.000	0.000
876	A	976	THR	0	0.002	0.001	63.677	0.000	0.000	0.000	0.000	0.000	0.000
877	A	977	VAL	0	-0.010	0.000	62.597	0.000	0.000	0.000	0.000	0.000	0.000
878	A	978	MET	0	-0.057	-0.015	62.293	0.000	0.000	0.000	0.000	0.000	0.000
879	A	979	GLY	0	0.073	0.047	58.724	0.000	0.000	0.000	0.000	0.000	0.000
880	A	980	TRP	0	0.009	-0.014	52.057	0.000	0.000	0.000	0.000	0.000	0.000
881	A	981	ASN	0	-0.098	-0.041	55.625	0.000	0.000	0.000	0.000	0.000	0.000
882	A	982	GLU	-1	-0.854	-0.946	58.133	-0.004	-0.004	0.000	0.000	0.000	0.000
883	A	983	GLU	-1	-0.840	-0.924	61.043	0.000	0.000	0.000	0.000	0.000	0.000
884	A	984	ILE	0	-0.023	-0.022	56.946	0.000	0.000	0.000	0.000	0.000	0.000
885	A	985	LYS	1	0.923	0.981	61.350	0.005	0.005	0.000	0.000	0.000	0.000
886	A	986	SER	0	-0.042	-0.041	63.176	0.000	0.000	0.000	0.000	0.000	0.000
887	A	987	LYS	1	0.903	0.967	61.648	0.001	0.001	0.000	0.000	0.000	0.000
888	A	988	LYS	1	0.875	0.952	66.096	0.003	0.003	0.000	0.000	0.000	0.000
889	A	989	LEU	0	0.010	-0.008	62.696	0.000	0.000	0.000	0.000	0.000	0.000
890	A	990	PHE	0	-0.069	-0.024	59.284	0.000	0.000	0.000	0.000	0.000	0.000
891	A	991	ASP	-1	-0.908	-0.966	64.034	-0.005	-0.005	0.000	0.000	0.000	0.000
892	A	992	GLU	-1	-0.843	-0.907	64.936	-0.007	-0.007	0.000	0.000	0.000	0.000
893	A	993	GLU	-1	-0.876	-0.936	66.887	-0.006	-0.006	0.000	0.000	0.000	0.000
894	A	994	LYS	1	0.873	0.956	66.767	0.003	0.003	0.000	0.000	0.000	0.000
895	A	995	VAL	0	0.027	0.018	66.734	0.000	0.000	0.000	0.000	0.000	0.000
896	A	996	LYS	1	0.789	0.906	58.342	0.004	0.004	0.000	0.000	0.000	0.000
897	A	997	LYS	1	0.892	0.939	63.567	0.004	0.004	0.000	0.000	0.000	0.000
898	A	998	GLU	-1	-0.849	-0.905	61.457	-0.001	-0.001	0.000	0.000	0.000	0.000
899	A	999	PHE	0	0.038	0.009	61.514	0.000	0.000	0.000	0.000	0.000	0.000
900	A	1000	PHE	0	-0.022	-0.020	55.846	0.000	0.000	0.000	0.000	0.000	0.000
901	A	1001	VAL	0	-0.025	-0.021	59.165	0.000	0.000	0.000	0.000	0.000	0.000
902	A	1002	LEU	0	0.017	0.005	53.973	0.000	0.000	0.000	0.000	0.000	0.000
903	A	1003	PRO	0	-0.022	-0.021	58.050	0.000	0.000	0.000	0.000	0.000	0.000
904	A	1004	THR	0	-0.014	-0.016	54.507	0.000	0.000	0.000	0.000	0.000	0.000
905	A	1005	PHE	0	0.019	0.015	52.670	0.000	0.000	0.000	0.000	0.000	0.000
906	A	1006	VAL	0	-0.035	-0.002	51.159	-0.001	-0.001	0.000	0.000	0.000	0.000
907	A	1007	ASN	0	0.038	0.022	54.607	0.001	0.001	0.000	0.000	0.000	0.000
908	A	1008	SER	0	-0.080	-0.033	52.243	0.000	0.000	0.000	0.000	0.000	0.000
909	A	1009	VAL	0	0.049	0.023	54.058	0.000	0.000	0.000	0.000	0.000	0.000
910	A	1010	SER	0	-0.016	-0.021	54.270	-0.001	-0.001	0.000	0.000	0.000	0.000
911	A	1011	MET	0	-0.005	-0.009	55.757	0.000	0.000	0.000	0.000	0.000	0.000
912	A	1012	SER	0	-0.001	-0.005	55.960	-0.001	-0.001	0.000	0.000	0.000	0.000
913	A	1013	GLY	0	0.064	0.046	57.427	0.001	0.001	0.000	0.000	0.000	0.000
914	A	1014	ILE	0	-0.016	-0.007	57.844	-0.001	-0.001	0.000	0.000	0.000	0.000
915	A	1015	LEU	0	-0.016	-0.014	57.364	0.000	0.000	0.000	0.000	0.000	0.000
916	A	1016	PHE	0	-0.018	-0.008	56.327	0.000	0.000	0.000	0.000	0.000	0.000
917	A	1017	LYS	1	0.936	0.968	60.218	0.010	0.010	0.000	0.000	0.000	0.000
918	A	1018	PRO	0	0.013	-0.011	59.156	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	1019	GLY	0	-0.020	-0.002	58.605	0.000	0.000	0.000	0.000	0.000	0.000
920	A	1020	GLU	-1	-0.923	-0.956	59.599	-0.012	-0.012	0.000	0.000	0.000	0.000
921	A	1021	TYR	0	0.031	0.012	52.456	0.000	0.000	0.000	0.000	0.000	0.000
922	A	1022	LEU	0	0.006	0.016	51.675	0.000	0.000	0.000	0.000	0.000	0.000
923	A	1023	ASP	-1	-0.770	-0.867	52.059	-0.022	-0.022	0.000	0.000	0.000	0.000
924	A	1024	PRO	0	0.042	0.026	47.389	0.000	0.000	0.000	0.000	0.000	0.000
925	A	1025	SER	0	-0.004	-0.007	48.307	0.000	0.000	0.000	0.000	0.000	0.000
926	A	1026	PHE	0	-0.006	-0.017	49.685	0.000	0.000	0.000	0.000	0.000	0.000
927	A	1027	THR	0	0.022	0.013	45.050	0.001	0.001	0.000	0.000	0.000	0.000
928	A	1028	VAL	0	-0.056	-0.016	44.722	0.000	0.000	0.000	0.000	0.000	0.000
929	A	1029	ILE	0	-0.013	-0.007	46.651	0.000	0.000	0.000	0.000	0.000	0.000
930	A	1030	VAL	0	0.011	0.024	49.346	0.001	0.001	0.000	0.000	0.000	0.000
931	A	1031	ALA	0	-0.005	0.005	44.307	0.001	0.001	0.000	0.000	0.000	0.000
932	A	1032	ALA	0	0.005	0.006	46.319	0.000	0.000	0.000	0.000	0.000	0.000
933	A	1033	LEU	0	0.000	-0.015	47.643	0.001	0.001	0.000	0.000	0.000	0.000
934	A	1034	LYS	1	0.896	0.964	43.025	0.019	0.019	0.000	0.000	0.000	0.000
935	A	1035	ASN	0	0.035	-0.005	42.465	0.002	0.002	0.000	0.000	0.000	0.000
936	A	1036	SER	0	-0.011	0.002	46.156	-0.001	-0.001	0.000	0.000	0.000	0.000
937	A	1037	TYR	0	0.037	0.019	48.932	0.001	0.001	0.000	0.000	0.000	0.000
938	A	1038	LEU	0	-0.001	0.003	50.564	0.001	0.001	0.000	0.000	0.000	0.000
939	A	1039	TRP	0	0.027	0.015	43.829	0.001	0.001	0.000	0.000	0.000	0.000
940	A	1040	ASP	-1	-0.878	-0.952	48.897	-0.014	-0.014	0.000	0.000	0.000	0.000
941	A	1041	THR	0	-0.042	-0.019	50.789	0.001	0.001	0.000	0.000	0.000	0.000
942	A	1042	VAL	0	-0.022	-0.023	52.147	0.001	0.001	0.000	0.000	0.000	0.000
943	A	1043	ARG	1	0.907	0.978	44.574	0.010	0.010	0.000	0.000	0.000	0.000
944	A	1044	GLY	0	-0.041	-0.026	49.975	0.001	0.001	0.000	0.000	0.000	0.000
945	A	1045	LEU	0	-0.063	-0.027	50.742	0.001	0.001	0.000	0.000	0.000	0.000
946	A	1046	ASN	0	-0.052	-0.036	54.328	0.001	0.001	0.000	0.000	0.000	0.000
947	A	1047	GLY	0	0.014	0.020	51.790	0.001	0.001	0.000	0.000	0.000	0.000
948	A	1048	ALA	0	-0.024	-0.004	51.205	0.001	0.001	0.000	0.000	0.000	0.000
949	A	1049	TYR	0	-0.029	-0.013	41.165	-0.001	-0.001	0.000	0.000	0.000	0.000
950	A	1050	GLY	0	-0.006	-0.010	45.961	-0.001	-0.001	0.000	0.000	0.000	0.000
951	A	1051	VAL	0	-0.030	-0.015	47.003	0.001	0.001	0.000	0.000	0.000	0.000
952	A	1052	PHE	0	-0.037	-0.018	44.438	-0.001	-0.001	0.000	0.000	0.000	0.000
953	A	1053	ALA	0	0.027	-0.007	47.954	0.001	0.001	0.000	0.000	0.000	0.000
954	A	1054	ASP	-1	-0.902	-0.950	45.995	-0.018	-0.018	0.000	0.000	0.000	0.000
955	A	1055	ILE	0	-0.024	-0.016	48.864	0.001	0.001	0.000	0.000	0.000	0.000
956	A	1056	GLU	-1	-0.896	-0.939	47.942	-0.012	-0.012	0.000	0.000	0.000	0.000
957	A	1057	TYR	0	0.013	-0.015	48.572	0.000	0.000	0.000	0.000	0.000	0.000
958	A	1058	ASP	-1	-0.822	-0.897	51.652	-0.010	-0.010	0.000	0.000	0.000	0.000
959	A	1059	GLY	0	0.025	0.007	53.877	0.001	0.001	0.000	0.000	0.000	0.000
960	A	1060	SER	0	-0.074	-0.048	53.622	0.000	0.000	0.000	0.000	0.000	0.000
961	A	1061	VAL	0	0.037	0.017	53.309	-0.001	-0.001	0.000	0.000	0.000	0.000
962	A	1062	VAL	0	-0.017	-0.018	51.394	0.001	0.001	0.000	0.000	0.000	0.000
963	A	1063	PHE	0	0.005	0.012	52.128	-0.001	-0.001	0.000	0.000	0.000	0.000
964	A	1064	LEU	0	-0.016	-0.024	48.533	0.001	0.001	0.000	0.000	0.000	0.000
965	A	1065	SER	0	-0.006	-0.006	50.822	-0.001	-0.001	0.000	0.000	0.000	0.000
966	A	1066	ALA	0	-0.022	-0.020	47.663	0.001	0.001	0.000	0.000	0.000	0.000
967	A	1067	ARG	1	0.959	0.962	43.135	0.001	0.001	0.000	0.000	0.000	0.000
968	A	1068	ASP	-1	-0.684	-0.813	50.549	-0.005	-0.005	0.000	0.000	0.000	0.000
969	A	1069	PRO	0	0.031	0.026	53.268	0.001	0.001	0.000	0.000	0.000	0.000
970	A	1070	ASN	0	-0.061	-0.021	56.174	0.001	0.001	0.000	0.000	0.000	0.000
971	A	1071	LEU	0	0.039	0.013	58.064	0.000	0.000	0.000	0.000	0.000	0.000
972	A	1072	GLU	-1	-0.831	-0.929	60.498	-0.003	-0.003	0.000	0.000	0.000	0.000
973	A	1073	LYS	1	0.942	0.969	60.105	0.004	0.004	0.000	0.000	0.000	0.000
974	A	1074	THR	0	-0.035	-0.034	55.866	-0.001	-0.001	0.000	0.000	0.000	0.000
975	A	1075	LEU	0	0.005	0.004	58.532	-0.001	-0.001	0.000	0.000	0.000	0.000
976	A	1076	ALA	0	0.000	0.006	60.968	0.000	0.000	0.000	0.000	0.000	0.000
977	A	1077	THR	0	0.021	0.014	56.007	-0.001	-0.001	0.000	0.000	0.000	0.000
978	A	1078	PHE	0	-0.014	-0.014	53.803	-0.001	-0.001	0.000	0.000	0.000	0.000
979	A	1079	ARG	1	0.855	0.913	58.303	0.005	0.005	0.000	0.000	0.000	0.000
980	A	1080	GLU	-1	-0.968	-0.962	61.075	-0.008	-0.008	0.000	0.000	0.000	0.000
981	A	1081	SER	0	-0.002	-0.032	56.811	-0.001	-0.001	0.000	0.000	0.000	0.000
982	A	1082	ALA	0	0.008	0.020	57.951	-0.001	-0.001	0.000	0.000	0.000	0.000
983	A	1083	LYS	1	0.968	0.979	59.928	0.009	0.009	0.000	0.000	0.000	0.000
984	A	1084	GLY	0	0.015	0.006	57.344	0.000	0.000	0.000	0.000	0.000	0.000
985	A	1085	LEU	0	0.001	-0.006	53.457	-0.001	-0.001	0.000	0.000	0.000	0.000
986	A	1086	ARG	1	0.821	0.886	56.208	0.011	0.011	0.000	0.000	0.000	0.000
987	A	1087	LYS	1	0.894	0.972	56.765	0.013	0.013	0.000	0.000	0.000	0.000
988	A	1088	MET	0	-0.010	-0.002	50.396	0.000	0.000	0.000	0.000	0.000	0.000
989	A	1089	ALA	0	-0.026	-0.018	53.783	-0.001	-0.001	0.000	0.000	0.000	0.000
990	A	1090	ASP	-1	-0.876	-0.903	55.228	-0.015	-0.015	0.000	0.000	0.000	0.000
991	A	1091	THR	0	-0.132	-0.059	54.000	0.000	0.000	0.000	0.000	0.000	0.000
992	A	1092	MET	0	-0.070	0.007	50.061	-0.001	-0.001	0.000	0.000	0.000	0.000
993	A	1093	THR	0	-0.013	-0.009	48.753	-0.001	-0.001	0.000	0.000	0.000	0.000
994	A	1094	GLU	-1	-0.915	-0.986	48.244	-0.027	-0.027	0.000	0.000	0.000	0.000
995	A	1095	ASN	0	0.004	0.001	44.298	-0.002	-0.002	0.000	0.000	0.000	0.000
996	A	1096	ASP	-1	-0.820	-0.889	44.558	-0.024	-0.024	0.000	0.000	0.000	0.000
997	A	1097	LEU	0	0.015	0.006	45.948	0.000	0.000	0.000	0.000	0.000	0.000
998	A	1098	LEU	0	-0.047	-0.023	40.976	-0.001	-0.001	0.000	0.000	0.000	0.000
999	A	1099	ARG	1	0.929	0.951	40.795	0.027	0.027	0.000	0.000	0.000	0.000
1000	A	1100	TYR	0	0.016	-0.001	41.634	0.000	0.000	0.000	0.000	0.000	0.000
1001	A	1101	ILE	0	-0.026	-0.017	41.843	0.000	0.000	0.000	0.000	0.000	0.000
1002	A	1102	ILE	0	-0.020	-0.009	36.866	-0.001	-0.001	0.000	0.000	0.000	0.000
1003	A	1103	ASN	0	0.016	0.021	38.195	-0.002	-0.002	0.000	0.000	0.000	0.000
1004	A	1104	THR	0	0.004	0.002	38.822	0.000	0.000	0.000	0.000	0.000	0.000
1005	A	1105	ILE	0	-0.015	-0.005	36.287	0.000	0.000	0.000	0.000	0.000	0.000
1006	A	1106	GLY	0	0.062	0.025	34.821	-0.002	-0.002	0.000	0.000	0.000	0.000
1007	A	1107	THR	0	-0.076	-0.037	34.722	0.000	0.000	0.000	0.000	0.000	0.000
1008	A	1108	ILE	0	-0.049	-0.023	36.466	0.001	0.001	0.000	0.000	0.000	0.000
1009	A	1109	ASP	-1	-0.838	-0.918	32.606	-0.050	-0.050	0.000	0.000	0.000	0.000
1010	A	1110	LYS	1	0.967	0.999	31.457	0.024	0.024	0.000	0.000	0.000	0.000
1011	A	1111	PRO	0	0.008	0.007	26.291	-0.001	-0.001	0.000	0.000	0.000	0.000
1012	A	1112	ARG	1	0.865	0.935	27.654	0.043	0.043	0.000	0.000	0.000	0.000
1013	A	1113	ARG	1	0.914	0.953	18.315	0.058	0.058	0.000	0.000	0.000	0.000
1014	A	1114	GLY	0	0.014	0.000	25.278	0.007	0.007	0.000	0.000	0.000	0.000
1015	A	1115	ILE	0	0.022	0.005	25.985	-0.001	-0.001	0.000	0.000	0.000	0.000
1016	A	1116	GLU	-1	-0.808	-0.890	27.326	-0.030	-0.030	0.000	0.000	0.000	0.000
1017	A	1117	LEU	0	0.000	-0.005	27.387	0.000	0.000	0.000	0.000	0.000	0.000
1018	A	1118	SER	0	0.002	-0.006	30.454	0.000	0.000	0.000	0.000	0.000	0.000
1019	A	1119	LYS	1	0.832	0.913	32.330	0.006	0.006	0.000	0.000	0.000	0.000
1020	A	1120	LEU	0	-0.002	0.010	33.666	0.001	0.001	0.000	0.000	0.000	0.000
1021	A	1121	SER	0	-0.016	0.005	34.717	0.001	0.001	0.000	0.000	0.000	0.000
1022	A	1122	PHE	0	0.045	0.008	36.451	0.001	0.001	0.000	0.000	0.000	0.000
1023	A	1123	LEU	0	0.012	0.011	38.370	0.001	0.001	0.000	0.000	0.000	0.000
1024	A	1124	ARG	1	0.911	0.953	35.949	0.033	0.033	0.000	0.000	0.000	0.000
1025	A	1125	LEU	0	-0.023	-0.011	39.279	0.001	0.001	0.000	0.000	0.000	0.000
1026	A	1126	ILE	0	-0.047	-0.020	42.545	0.001	0.001	0.000	0.000	0.000	0.000
1027	A	1127	SER	0	0.002	-0.007	43.729	0.002	0.002	0.000	0.000	0.000	0.000
1028	A	1128	ASN	0	-0.111	-0.050	45.863	0.000	0.000	0.000	0.000	0.000	0.000
1029	A	1129	GLU	-1	-0.759	-0.839	41.993	-0.025	-0.025	0.000	0.000	0.000	0.000
1030	A	1130	SER	0	-0.073	-0.040	43.718	-0.002	-0.002	0.000	0.000	0.000	0.000
1031	A	1131	GLU	-1	-0.872	-0.955	40.138	-0.039	-0.039	0.000	0.000	0.000	0.000
1032	A	1132	GLN	0	-0.020	-0.026	42.834	-0.002	-0.002	0.000	0.000	0.000	0.000
1033	A	1133	ASP	-1	-0.745	-0.844	45.782	-0.022	-0.022	0.000	0.000	0.000	0.000
1034	A	1134	ARG	1	0.738	0.825	39.483	0.029	0.029	0.000	0.000	0.000	0.000
1035	A	1135	VAL	0	-0.077	-0.031	42.013	-0.001	-0.001	0.000	0.000	0.000	0.000
1036	A	1136	GLU	-1	-0.924	-0.973	43.774	-0.028	-0.028	0.000	0.000	0.000	0.000
1037	A	1137	PHE	0	0.056	0.023	43.414	0.000	0.000	0.000	0.000	0.000	0.000
1038	A	1138	ARG	1	0.772	0.851	36.171	0.046	0.046	0.000	0.000	0.000	0.000
1039	A	1139	LYS	1	0.929	0.974	43.325	0.029	0.029	0.000	0.000	0.000	0.000
1040	A	1140	ARG	1	0.800	0.874	45.863	0.023	0.023	0.000	0.000	0.000	0.000
1041	A	1141	ILE	0	0.009	0.025	42.651	0.000	0.000	0.000	0.000	0.000	0.000
1042	A	1142	MET	0	-0.034	-0.018	39.192	0.000	0.000	0.000	0.000	0.000	0.000
1043	A	1143	ASN	0	-0.085	-0.035	44.692	-0.001	-0.001	0.000	0.000	0.000	0.000
1044	A	1144	THR	0	0.015	0.012	47.314	0.002	0.002	0.000	0.000	0.000	0.000
1045	A	1145	LYS	1	0.909	0.952	49.437	0.025	0.025	0.000	0.000	0.000	0.000
1046	A	1146	LYS	1	1.040	1.018	52.125	0.022	0.022	0.000	0.000	0.000	0.000
1047	A	1147	GLU	-1	-0.895	-0.969	54.009	-0.020	-0.020	0.000	0.000	0.000	0.000
1048	A	1148	ASP	-1	-0.857	-0.931	53.202	-0.020	-0.020	0.000	0.000	0.000	0.000
1049	A	1149	PHE	0	0.035	0.009	49.022	0.001	0.001	0.000	0.000	0.000	0.000
1050	A	1150	TYR	0	-0.044	-0.064	55.015	0.001	0.001	0.000	0.000	0.000	0.000
1051	A	1151	LYS	1	0.941	0.975	57.833	0.019	0.019	0.000	0.000	0.000	0.000
1052	A	1152	PHE	0	0.029	0.017	54.645	0.001	0.001	0.000	0.000	0.000	0.000
1053	A	1153	ALA	0	-0.014	-0.003	57.405	0.001	0.001	0.000	0.000	0.000	0.000
1054	A	1154	ASP	-1	-0.843	-0.922	59.254	-0.012	-0.012	0.000	0.000	0.000	0.000
1055	A	1155	LEU	0	-0.063	-0.016	58.222	0.001	0.001	0.000	0.000	0.000	0.000
1056	A	1156	LEU	0	0.006	-0.009	56.290	0.001	0.001	0.000	0.000	0.000	0.000
1057	A	1157	GLU	-1	-0.886	-0.931	60.588	-0.010	-0.010	0.000	0.000	0.000	0.000
1058	A	1158	SER	0	-0.093	-0.047	63.885	0.001	0.001	0.000	0.000	0.000	0.000
1059	A	1159	LYS	1	0.915	0.955	62.144	0.010	0.010	0.000	0.000	0.000	0.000
1060	A	1160	VAL	0	0.058	0.042	63.250	0.000	0.000	0.000	0.000	0.000	0.000
1061	A	1161	ASN	0	-0.010	-0.028	64.316	0.001	0.001	0.000	0.000	0.000	0.000
1062	A	1162	GLU	-1	-0.891	-0.938	62.538	-0.007	-0.007	0.000	0.000	0.000	0.000
1063	A	1163	PHE	0	-0.020	-0.013	57.115	0.000	0.000	0.000	0.000	0.000	0.000
1064	A	1164	GLU	-1	-0.815	-0.889	61.982	-0.006	-0.006	0.000	0.000	0.000	0.000
1065	A	1165	LYS	1	0.829	0.923	64.147	0.007	0.007	0.000	0.000	0.000	0.000
1066	A	1166	ASN	0	-0.045	-0.021	59.968	0.001	0.001	0.000	0.000	0.000	0.000
1067	A	1167	ILE	0	-0.003	0.014	60.011	0.000	0.000	0.000	0.000	0.000	0.000
1068	A	1168	VAL	0	-0.025	-0.009	57.440	0.001	0.001	0.000	0.000	0.000	0.000
1069	A	1169	ILE	0	0.016	0.023	57.608	0.000	0.000	0.000	0.000	0.000	0.000
1070	A	1170	ILE	0	-0.018	0.008	53.296	0.000	0.000	0.000	0.000	0.000	0.000
1071	A	1171	THR	0	0.023	-0.012	57.206	0.000	0.000	0.000	0.000	0.000	0.000
1072	A	1172	THR	0	0.017	0.025	59.344	0.000	0.000	0.000	0.000	0.000	0.000
1073	A	1173	LYS	1	1.002	0.992	61.647	-0.003	-0.003	0.000	0.000	0.000	0.000
1074	A	1174	GLU	-1	-0.911	-0.963	64.993	0.002	0.002	0.000	0.000	0.000	0.000
1075	A	1175	LYS	1	0.990	0.995	59.891	0.000	0.000	0.000	0.000	0.000	0.000
1076	A	1176	ALA	0	0.031	0.027	64.110	0.000	0.000	0.000	0.000	0.000	0.000
1077	A	1177	ASN	0	-0.035	-0.037	65.729	0.000	0.000	0.000	0.000	0.000	0.000
1078	A	1178	GLU	-1	-0.883	-0.943	68.236	-0.001	-0.001	0.000	0.000	0.000	0.000
1079	A	1179	TYR	0	0.010	0.013	65.828	0.000	0.000	0.000	0.000	0.000	0.000
1080	A	1180	ILE	0	-0.053	-0.027	68.113	0.000	0.000	0.000	0.000	0.000	0.000
1081	A	1181	ALA	0	-0.057	-0.020	70.629	0.000	0.000	0.000	0.000	0.000	0.000
1082	A	1182	ASN	0	-0.034	-0.024	71.728	0.000	0.000	0.000	0.000	0.000	0.000
1083	A	1183	VAL	0	-0.076	-0.022	68.458	0.000	0.000	0.000	0.000	0.000	0.000
1084	A	1184	ASP	-1	-0.815	-0.914	68.987	-0.004	-0.004	0.000	0.000	0.000	0.000
1085	A	1185	GLY	0	0.031	0.016	70.349	0.000	0.000	0.000	0.000	0.000	0.000
1086	A	1186	GLU	-1	-0.977	-0.985	70.344	-0.002	-0.002	0.000	0.000	0.000	0.000
1087	A	1187	PHE	0	-0.058	-0.023	63.105	0.000	0.000	0.000	0.000	0.000	0.000
1088	A	1188	LYS	1	0.920	0.960	66.829	0.002	0.002	0.000	0.000	0.000	0.000
1089	A	1189	LYS	1	0.901	0.956	65.060	0.000	0.000	0.000	0.000	0.000	0.000
1090	A	1190	VAL	0	0.006	0.010	61.092	0.000	0.000	0.000	0.000	0.000	0.000
1091	A	1191	LEU	0	0.003	-0.005	61.873	0.000	0.000	0.000	0.000	0.000	0.000
1092	A	1192	ILE	0	-0.019	0.006	55.799	0.000	0.000	0.000	0.000	0.000	0.000
1093	A	1193	GLU	-1	-0.922	-0.954	57.874	0.004	0.004	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:57:THR)