FMO DATABASE

FMODB ID: PG861

Calculation Name: 1EO8-ABCD-Xray45

Preferred Name: Hemagglutinin

Target Type: SINGLE PROTEIN

Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose

ligand 3-letter code: NAG

PDB ID: 1EO8

Chain ID: ABCD

ChEMBL ID: CHEMBL1932897

UniProt ID: P03437

Base Structure: X-ray

Registration Date: 2019-02-27

Reference:

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:MMFF94x
Restraint	OptH
Protonation	MOE:AddH
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	911
LigandCharge
Software	ABINIT-MP 7.2

Total energy (hartree)

FMO2-HF: Electronic energy	-22361384.326408
FMO2-HF: Nuclear repulsion	22001227.791094
FMO2-HF: Total energy	-360156.535314
FMO2-MP2: Total energy	-361198.731115

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:9:SER)

Summations of interaction energy for fragment #1(A:9: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.
-118.324	-120.053	13.484	-5.842	-5.915	-0.043

Interaction energy analysis for fragmet #1(A:9:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.787 / q_NPA : 0.868

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	11	ALA	0	-0.002	0.021	3.431	-5.950	-3.556	-0.017	-1.408	-0.970	-0.007
4	A	12	THR	0	0.010	-0.005	6.034	0.813	0.813	0.000	0.000	0.000	0.000
5	A	13	LEU	0	-0.013	0.026	9.583	1.168	1.168	0.000	0.000	0.000	0.000
6	B	137	CYS	0	-0.084	-0.039	12.821	-0.302	-0.302	0.000	0.000	0.000	0.000
7	A	15	LEU	0	-0.014	-0.012	15.981	0.480	0.480	0.000	0.000	0.000	0.000
8	A	16	GLY	0	0.065	0.025	19.413	-0.026	-0.026	0.000	0.000	0.000	0.000
9	A	17	HIS	0	0.039	-0.017	22.268	0.275	0.275	0.000	0.000	0.000	0.000
10	A	18	HIS	0	-0.035	-0.023	25.803	-0.201	-0.201	0.000	0.000	0.000	0.000
11	A	19	ALA	0	0.011	0.013	27.695	0.141	0.141	0.000	0.000	0.000	0.000
12	A	20	VAL	0	-0.028	-0.025	30.171	-0.055	-0.055	0.000	0.000	0.000	0.000
13	A	21	PRO	0	0.020	0.023	32.826	0.052	0.052	0.000	0.000	0.000	0.000
14	A	22	ASN	0	-0.074	-0.054	34.359	0.003	0.003	0.000	0.000	0.000	0.000
15	A	23	GLY	0	0.085	0.052	37.538	0.036	0.036	0.000	0.000	0.000	0.000
16	A	24	THR	0	-0.058	-0.039	38.217	0.208	0.208	0.000	0.000	0.000	0.000
17	A	25	LEU	0	-0.035	-0.003	40.803	-0.151	-0.151	0.000	0.000	0.000	0.000
18	A	26	VAL	0	-0.082	-0.038	41.712	0.170	0.170	0.000	0.000	0.000	0.000
19	A	27	LYS	1	0.933	0.971	44.160	6.351	6.351	0.000	0.000	0.000	0.000
20	A	28	THR	0	-0.042	-0.031	41.793	-0.003	-0.003	0.000	0.000	0.000	0.000
21	A	29	ILE	0	-0.026	-0.018	44.829	0.162	0.162	0.000	0.000	0.000	0.000
22	A	30	THR	0	-0.047	-0.026	41.982	0.135	0.135	0.000	0.000	0.000	0.000
23	A	31	ASP	-1	-0.892	-0.923	41.151	-7.860	-7.860	0.000	0.000	0.000	0.000
24	A	32	ASP	-1	-0.856	-0.933	44.427	-6.462	-6.462	0.000	0.000	0.000	0.000
25	A	33	GLN	0	-0.063	-0.044	44.911	0.082	0.082	0.000	0.000	0.000	0.000
26	A	34	ILE	0	-0.002	0.002	37.847	-0.138	-0.138	0.000	0.000	0.000	0.000
27	A	35	GLU	-1	-0.820	-0.898	37.061	-8.588	-8.588	0.000	0.000	0.000	0.000
28	A	36	VAL	0	-0.043	-0.012	36.795	-0.288	-0.288	0.000	0.000	0.000	0.000
29	A	37	THR	0	0.021	0.007	32.984	0.191	0.191	0.000	0.000	0.000	0.000
30	A	38	ASN	0	0.061	0.019	36.272	0.255	0.255	0.000	0.000	0.000	0.000
31	A	39	ALA	0	0.013	0.008	39.370	-0.016	-0.016	0.000	0.000	0.000	0.000
32	A	40	THR	0	-0.045	-0.009	42.747	0.136	0.136	0.000	0.000	0.000	0.000
33	A	41	GLU	-1	-0.811	-0.882	46.154	-6.308	-6.308	0.000	0.000	0.000	0.000
34	A	42	LEU	0	0.017	0.004	48.906	0.057	0.057	0.000	0.000	0.000	0.000
35	A	43	VAL	0	-0.013	-0.011	51.882	0.135	0.135	0.000	0.000	0.000	0.000
36	A	44	GLN	0	0.008	0.003	54.860	-0.129	-0.129	0.000	0.000	0.000	0.000
37	A	45	SER	0	0.032	-0.004	56.689	0.086	0.086	0.000	0.000	0.000	0.000
38	A	46	SER	0	-0.007	-0.002	58.057	0.074	0.074	0.000	0.000	0.000	0.000
39	A	47	SER	0	0.035	0.016	60.361	-0.030	-0.030	0.000	0.000	0.000	0.000
40	A	48	THR	0	0.000	0.003	62.390	-0.004	-0.004	0.000	0.000	0.000	0.000
41	A	49	GLY	0	0.027	0.020	64.199	0.028	0.028	0.000	0.000	0.000	0.000
42	A	50	LYS	1	0.861	0.939	67.397	4.751	4.751	0.000	0.000	0.000	0.000
43	A	51	ILE	0	-0.023	0.001	68.135	-0.066	-0.066	0.000	0.000	0.000	0.000
44	A	277	CYS	0	-0.070	-0.024	65.389	-0.032	-0.032	0.000	0.000	0.000	0.000
45	A	53	ASN	0	-0.016	-0.003	69.249	-0.038	-0.038	0.000	0.000	0.000	0.000
46	A	54	ASN	0	0.056	0.042	68.706	0.095	0.095	0.000	0.000	0.000	0.000
47	A	55	PRO	0	-0.015	-0.022	66.829	-0.053	-0.053	0.000	0.000	0.000	0.000
48	A	56	HIS	0	-0.001	-0.003	67.885	0.114	0.114	0.000	0.000	0.000	0.000
49	A	57	ARG	1	0.941	0.978	72.239	4.071	4.071	0.000	0.000	0.000	0.000
50	A	58	ILE	0	0.038	0.017	72.662	0.034	0.034	0.000	0.000	0.000	0.000
51	A	59	LEU	0	-0.072	-0.025	76.244	0.025	0.025	0.000	0.000	0.000	0.000
52	A	60	ASP	-1	-0.816	-0.916	79.112	-4.085	-4.085	0.000	0.000	0.000	0.000
53	A	61	GLY	0	0.052	0.016	80.567	0.047	0.047	0.000	0.000	0.000	0.000
54	A	62	ILE	0	-0.082	-0.046	82.604	0.065	0.065	0.000	0.000	0.000	0.000
55	A	63	ASP	-1	-0.774	-0.896	84.196	-3.738	-3.738	0.000	0.000	0.000	0.000
56	A	76	CYS	0	0.009	0.014	86.933	0.006	0.006	0.000	0.000	0.000	0.000
57	A	65	THR	0	0.058	0.032	85.900	-0.048	-0.048	0.000	0.000	0.000	0.000
58	A	66	LEU	0	0.018	0.010	84.018	0.041	0.041	0.000	0.000	0.000	0.000
59	A	67	ILE	0	-0.025	-0.014	86.773	0.039	0.039	0.000	0.000	0.000	0.000
60	A	68	ASP	-1	-0.811	-0.915	89.892	-3.517	-3.517	0.000	0.000	0.000	0.000
61	A	69	ALA	0	-0.023	-0.015	88.728	0.037	0.037	0.000	0.000	0.000	0.000
62	A	70	LEU	0	-0.075	-0.022	90.177	0.028	0.028	0.000	0.000	0.000	0.000
63	A	71	LEU	0	-0.032	-0.033	91.830	0.040	0.040	0.000	0.000	0.000	0.000
64	A	72	GLY	0	0.076	0.034	94.154	0.046	0.046	0.000	0.000	0.000	0.000
65	A	73	ASP	-1	-0.822	-0.934	94.145	-3.376	-3.376	0.000	0.000	0.000	0.000
66	A	74	PRO	0	0.045	0.000	95.082	-0.026	-0.026	0.000	0.000	0.000	0.000
67	A	75	HIS	0	-0.078	-0.023	91.491	0.012	0.012	0.000	0.000	0.000	0.000
68	A	77	ASP	-1	-0.759	-0.880	91.575	-3.404	-3.404	0.000	0.000	0.000	0.000
69	A	78	VAL	0	-0.032	-0.013	88.936	-0.006	-0.006	0.000	0.000	0.000	0.000
70	A	79	PHE	0	0.002	-0.009	84.869	-0.038	-0.038	0.000	0.000	0.000	0.000
71	A	80	GLN	0	-0.098	-0.044	89.224	-0.014	-0.014	0.000	0.000	0.000	0.000
72	A	81	ASN	0	-0.006	-0.018	90.009	0.008	0.008	0.000	0.000	0.000	0.000
73	A	82	GLU	-1	-0.853	-0.924	84.687	-3.900	-3.900	0.000	0.000	0.000	0.000
74	A	83	THR	0	-0.035	-0.013	82.445	0.007	0.007	0.000	0.000	0.000	0.000
75	A	84	TRP	0	-0.095	-0.060	79.355	0.004	0.004	0.000	0.000	0.000	0.000
76	A	85	ASP	-1	-0.831	-0.902	74.678	-4.344	-4.344	0.000	0.000	0.000	0.000
77	A	86	LEU	0	0.037	0.004	73.040	-0.014	-0.014	0.000	0.000	0.000	0.000
78	A	87	PHE	0	-0.013	0.002	76.644	0.013	0.013	0.000	0.000	0.000	0.000
79	A	88	VAL	0	0.022	0.003	76.130	-0.023	-0.023	0.000	0.000	0.000	0.000
80	A	89	GLU	-1	-0.789	-0.907	78.799	-3.860	-3.860	0.000	0.000	0.000	0.000
81	A	90	ARG	1	0.736	0.848	76.064	4.153	4.153	0.000	0.000	0.000	0.000
82	A	91	SER	0	0.023	0.006	80.106	0.073	0.073	0.000	0.000	0.000	0.000
83	A	92	LYS	1	0.834	0.927	82.047	3.940	3.940	0.000	0.000	0.000	0.000
84	A	93	ALA	0	0.017	0.039	85.084	0.048	0.048	0.000	0.000	0.000	0.000
85	A	94	PHE	0	-0.019	-0.023	86.894	0.034	0.034	0.000	0.000	0.000	0.000
86	A	95	SER	0	0.094	0.046	90.623	-0.006	-0.006	0.000	0.000	0.000	0.000
87	A	96	ASN	0	-0.139	-0.075	93.674	0.040	0.040	0.000	0.000	0.000	0.000
88	A	139	CYS	0	0.034	0.096	96.796	-0.010	-0.010	0.000	0.000	0.000	0.000
89	A	98	TYR	0	-0.016	-0.033	99.340	0.005	0.005	0.000	0.000	0.000	0.000
90	A	99	PRO	0	-0.051	-0.015	99.253	-0.032	-0.032	0.000	0.000	0.000	0.000
91	A	100	TYR	0	-0.045	-0.039	92.718	0.041	0.041	0.000	0.000	0.000	0.000
92	A	101	ASP	-1	-0.885	-0.934	95.775	-3.373	-3.373	0.000	0.000	0.000	0.000
93	A	102	VAL	0	0.024	0.014	92.525	0.024	0.024	0.000	0.000	0.000	0.000
94	A	103	PRO	0	0.009	0.011	93.389	-0.036	-0.036	0.000	0.000	0.000	0.000
95	A	104	ASP	-1	-0.837	-0.932	89.127	-3.688	-3.688	0.000	0.000	0.000	0.000
96	A	105	TYR	0	0.051	0.011	87.045	-0.024	-0.024	0.000	0.000	0.000	0.000
97	A	106	ALA	0	0.017	-0.002	84.888	-0.023	-0.023	0.000	0.000	0.000	0.000
98	A	107	SER	0	0.025	0.021	85.419	-0.061	-0.061	0.000	0.000	0.000	0.000
99	A	108	LEU	0	-0.013	0.012	86.954	-0.016	-0.016	0.000	0.000	0.000	0.000
100	A	109	ARG	1	0.835	0.899	80.343	3.977	3.977	0.000	0.000	0.000	0.000
101	A	110	SER	0	-0.005	0.012	82.603	-0.038	-0.038	0.000	0.000	0.000	0.000
102	A	111	LEU	0	0.032	0.009	83.061	-0.032	-0.032	0.000	0.000	0.000	0.000
103	A	112	VAL	0	-0.001	-0.005	85.115	-0.011	-0.011	0.000	0.000	0.000	0.000
104	A	113	ALA	0	-0.035	-0.027	81.141	-0.019	-0.019	0.000	0.000	0.000	0.000
105	A	114	SER	0	0.018	-0.001	80.401	-0.062	-0.062	0.000	0.000	0.000	0.000
106	A	115	SER	0	-0.073	-0.020	81.435	-0.023	-0.023	0.000	0.000	0.000	0.000
107	A	116	GLY	0	0.038	0.007	81.782	-0.016	-0.016	0.000	0.000	0.000	0.000
108	A	117	THR	0	-0.064	-0.030	82.570	-0.004	-0.004	0.000	0.000	0.000	0.000
109	A	118	LEU	0	-0.009	0.004	85.782	0.027	0.027	0.000	0.000	0.000	0.000
110	A	119	GLU	-1	-0.793	-0.881	88.785	-3.633	-3.633	0.000	0.000	0.000	0.000
111	A	120	PHE	0	-0.025	0.002	90.795	0.022	0.022	0.000	0.000	0.000	0.000
112	A	121	ILE	0	0.002	0.002	93.825	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	122	THR	0	-0.033	-0.020	97.135	0.003	0.003	0.000	0.000	0.000	0.000
114	A	123	GLU	-1	-0.805	-0.905	100.373	-3.262	-3.262	0.000	0.000	0.000	0.000
115	A	124	GLY	0	0.019	-0.004	103.094	0.012	0.012	0.000	0.000	0.000	0.000
116	A	125	PHE	0	-0.033	-0.007	102.623	0.024	0.024	0.000	0.000	0.000	0.000
117	A	126	THR	0	0.013	0.008	107.880	0.006	0.006	0.000	0.000	0.000	0.000
118	A	127	TRP	0	0.006	-0.020	106.436	0.011	0.011	0.000	0.000	0.000	0.000
119	A	128	THR	0	0.025	-0.011	112.824	0.007	0.007	0.000	0.000	0.000	0.000
120	A	129	GLY	0	0.016	0.006	116.591	0.005	0.005	0.000	0.000	0.000	0.000
121	A	130	VAL	0	-0.033	0.003	113.384	0.011	0.011	0.000	0.000	0.000	0.000
122	A	131	THR	0	-0.016	-0.026	114.556	0.004	0.004	0.000	0.000	0.000	0.000
123	A	132	GLN	0	0.002	-0.004	110.266	-0.044	-0.044	0.000	0.000	0.000	0.000
124	A	133	ASN	0	-0.008	0.004	107.899	-0.023	-0.023	0.000	0.000	0.000	0.000
125	A	134	GLY	0	0.078	0.047	108.643	0.019	0.019	0.000	0.000	0.000	0.000
126	A	135	GLY	0	0.002	0.015	106.852	-0.030	-0.030	0.000	0.000	0.000	0.000
127	A	136	SER	0	0.013	-0.004	105.825	0.033	0.033	0.000	0.000	0.000	0.000
128	A	137	ASN	0	0.014	-0.023	106.159	-0.030	-0.030	0.000	0.000	0.000	0.000
129	A	138	ALA	0	-0.031	0.001	102.973	-0.018	-0.018	0.000	0.000	0.000	0.000
130	A	140	LYS	1	0.943	0.978	102.304	3.097	3.097	0.000	0.000	0.000	0.000
131	A	141	ARG	1	0.826	0.944	98.475	3.248	3.248	0.000	0.000	0.000	0.000
132	A	142	GLY	0	0.040	0.027	101.776	0.023	0.023	0.000	0.000	0.000	0.000
133	A	143	PRO	0	0.017	0.003	103.045	-0.008	-0.008	0.000	0.000	0.000	0.000
134	A	144	GLY	0	0.020	0.007	105.866	0.020	0.020	0.000	0.000	0.000	0.000
135	A	145	SER	0	-0.034	-0.028	106.092	-0.033	-0.033	0.000	0.000	0.000	0.000
136	A	146	GLY	0	0.024	0.005	104.159	0.005	0.005	0.000	0.000	0.000	0.000
137	A	147	PHE	0	0.033	-0.034	102.851	0.014	0.014	0.000	0.000	0.000	0.000
138	A	148	PHE	0	0.046	0.023	97.123	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	149	SER	0	-0.030	-0.005	97.065	0.025	0.025	0.000	0.000	0.000	0.000
140	A	150	ARG	1	0.902	0.964	94.435	3.430	3.430	0.000	0.000	0.000	0.000
141	A	151	LEU	0	0.000	0.012	98.946	0.007	0.007	0.000	0.000	0.000	0.000
142	A	152	ASN	0	-0.003	-0.016	101.986	0.026	0.026	0.000	0.000	0.000	0.000
143	A	153	TRP	0	-0.045	-0.051	105.776	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	154	LEU	0	-0.016	0.012	107.755	0.026	0.026	0.000	0.000	0.000	0.000
145	A	155	THR	0	0.029	0.014	110.884	-0.002	-0.002	0.000	0.000	0.000	0.000
146	A	156	LYS	1	0.861	0.934	113.986	2.745	2.745	0.000	0.000	0.000	0.000
147	A	157	SER	0	0.016	0.022	117.704	0.000	0.000	0.000	0.000	0.000	0.000
148	A	158	GLY	0	0.016	0.008	119.909	0.017	0.017	0.000	0.000	0.000	0.000
149	A	159	SER	0	-0.032	-0.031	122.805	-0.013	-0.013	0.000	0.000	0.000	0.000
150	A	160	THR	0	0.032	-0.003	122.238	0.009	0.009	0.000	0.000	0.000	0.000
151	A	161	TYR	0	-0.012	0.024	111.966	-0.022	-0.022	0.000	0.000	0.000	0.000
152	A	162	PRO	0	0.006	0.015	117.606	0.010	0.010	0.000	0.000	0.000	0.000
153	A	163	VAL	0	-0.009	-0.022	115.531	-0.027	-0.027	0.000	0.000	0.000	0.000
154	A	164	LEU	0	-0.022	0.015	111.572	0.005	0.005	0.000	0.000	0.000	0.000
155	A	165	ASN	0	0.016	-0.014	111.754	-0.037	-0.037	0.000	0.000	0.000	0.000
156	A	166	VAL	0	-0.014	0.020	107.999	0.020	0.020	0.000	0.000	0.000	0.000
157	A	167	THR	0	0.001	-0.027	107.085	-0.030	-0.030	0.000	0.000	0.000	0.000
158	A	168	MET	0	0.001	0.022	103.021	0.024	0.024	0.000	0.000	0.000	0.000
159	A	169	PRO	0	0.016	0.002	102.879	-0.035	-0.035	0.000	0.000	0.000	0.000
160	A	170	ASN	0	-0.057	0.009	94.972	0.004	0.004	0.000	0.000	0.000	0.000
161	A	171	ASN	0	-0.054	-0.038	99.072	0.017	0.017	0.000	0.000	0.000	0.000
162	A	172	ASP	-1	-0.864	-0.914	94.821	-3.400	-3.400	0.000	0.000	0.000	0.000
163	A	173	ASN	0	-0.008	-0.015	90.191	0.021	0.021	0.000	0.000	0.000	0.000
164	A	174	PHE	0	-0.030	-0.030	90.386	-0.049	-0.049	0.000	0.000	0.000	0.000
165	A	175	ASP	-1	-0.809	-0.911	90.058	-3.596	-3.596	0.000	0.000	0.000	0.000
166	A	176	LYS	1	0.811	0.930	91.994	3.310	3.310	0.000	0.000	0.000	0.000
167	A	177	LEU	0	0.043	0.016	90.342	0.002	0.002	0.000	0.000	0.000	0.000
168	A	178	TYR	0	0.011	-0.011	93.874	0.019	0.019	0.000	0.000	0.000	0.000
169	A	179	ILE	0	0.012	0.012	92.983	-0.007	-0.007	0.000	0.000	0.000	0.000
170	A	180	TRP	0	-0.041	-0.040	97.112	0.045	0.045	0.000	0.000	0.000	0.000
171	A	181	GLY	0	0.098	0.031	99.437	-0.036	-0.036	0.000	0.000	0.000	0.000
172	A	182	ILE	0	-0.059	-0.021	101.821	0.036	0.036	0.000	0.000	0.000	0.000
173	A	183	HIS	0	0.046	0.021	104.112	-0.009	-0.009	0.000	0.000	0.000	0.000
174	A	184	HIS	0	-0.027	0.006	102.753	0.058	0.058	0.000	0.000	0.000	0.000
175	A	185	PRO	0	-0.027	-0.024	107.383	-0.015	-0.015	0.000	0.000	0.000	0.000
176	A	186	SER	0	0.033	0.011	109.410	-0.014	-0.014	0.000	0.000	0.000	0.000
177	A	187	THR	0	0.007	-0.003	110.582	0.004	0.004	0.000	0.000	0.000	0.000
178	A	188	ASN	0	0.042	-0.002	114.231	0.003	0.003	0.000	0.000	0.000	0.000
179	A	189	GLN	0	0.007	0.009	116.817	-0.006	-0.006	0.000	0.000	0.000	0.000
180	A	190	GLU	-1	-0.765	-0.876	111.063	-2.951	-2.951	0.000	0.000	0.000	0.000
181	A	191	GLN	0	0.017	0.010	113.282	-0.027	-0.027	0.000	0.000	0.000	0.000
182	A	192	THR	0	0.025	0.017	115.330	-0.006	-0.006	0.000	0.000	0.000	0.000
183	A	193	SER	0	-0.029	-0.017	117.665	0.019	0.019	0.000	0.000	0.000	0.000
184	A	194	LEU	0	-0.043	-0.002	112.084	0.011	0.011	0.000	0.000	0.000	0.000
185	A	195	TYR	0	-0.035	-0.031	110.425	-0.006	-0.006	0.000	0.000	0.000	0.000
186	A	196	VAL	0	-0.015	0.002	116.276	0.010	0.010	0.000	0.000	0.000	0.000
187	A	197	GLN	0	-0.047	-0.034	117.185	0.035	0.035	0.000	0.000	0.000	0.000
188	A	198	ALA	0	0.030	-0.002	118.003	-0.012	-0.012	0.000	0.000	0.000	0.000
189	A	199	SER	0	-0.036	-0.014	114.349	-0.026	-0.026	0.000	0.000	0.000	0.000
190	A	200	GLY	0	0.019	0.022	112.408	0.014	0.014	0.000	0.000	0.000	0.000
191	A	201	ARG	1	0.849	0.896	109.772	2.927	2.927	0.000	0.000	0.000	0.000
192	A	202	VAL	0	-0.021	0.007	104.998	0.014	0.014	0.000	0.000	0.000	0.000
193	A	203	THR	0	0.012	-0.002	106.192	-0.018	-0.018	0.000	0.000	0.000	0.000
194	A	204	VAL	0	-0.006	-0.001	101.381	0.014	0.014	0.000	0.000	0.000	0.000
195	A	205	SER	0	-0.010	-0.016	102.179	-0.016	-0.016	0.000	0.000	0.000	0.000
196	A	206	THR	0	0.047	0.048	98.228	0.019	0.019	0.000	0.000	0.000	0.000
197	A	207	ARG	1	0.941	0.967	101.122	3.215	3.215	0.000	0.000	0.000	0.000
198	A	208	ARG	1	0.891	0.946	97.058	3.350	3.350	0.000	0.000	0.000	0.000
199	A	209	SER	0	-0.013	0.009	97.704	0.007	0.007	0.000	0.000	0.000	0.000
200	A	210	GLN	0	0.021	-0.019	99.757	0.051	0.051	0.000	0.000	0.000	0.000
201	A	211	GLN	0	-0.011	0.006	98.126	-0.043	-0.043	0.000	0.000	0.000	0.000
202	A	212	THR	0	0.037	0.022	102.249	0.019	0.019	0.000	0.000	0.000	0.000
203	A	213	ILE	0	-0.054	-0.006	101.274	-0.014	-0.014	0.000	0.000	0.000	0.000
204	A	214	ILE	0	0.021	0.005	105.186	0.026	0.026	0.000	0.000	0.000	0.000
205	A	215	PRO	0	-0.045	-0.005	106.843	-0.028	-0.028	0.000	0.000	0.000	0.000
206	A	216	ASN	0	0.012	-0.016	105.068	0.040	0.040	0.000	0.000	0.000	0.000
207	A	217	ILE	0	-0.003	0.009	108.068	-0.021	-0.021	0.000	0.000	0.000	0.000
208	A	218	GLY	0	0.003	0.001	109.223	0.004	0.004	0.000	0.000	0.000	0.000
209	A	219	SER	0	-0.029	-0.008	108.536	-0.009	-0.009	0.000	0.000	0.000	0.000
210	A	220	ARG	1	0.861	0.932	103.124	3.091	3.091	0.000	0.000	0.000	0.000
211	A	221	PRO	0	0.068	0.032	100.496	0.026	0.026	0.000	0.000	0.000	0.000
212	A	222	TRP	0	0.067	0.054	102.934	-0.020	-0.020	0.000	0.000	0.000	0.000
213	A	223	VAL	0	-0.003	0.003	99.287	-0.034	-0.034	0.000	0.000	0.000	0.000
214	A	224	ARG	1	0.828	0.915	96.275	3.381	3.381	0.000	0.000	0.000	0.000
215	A	225	GLY	0	0.039	-0.005	102.468	0.020	0.020	0.000	0.000	0.000	0.000
216	A	226	LEU	0	-0.026	0.009	104.373	0.033	0.033	0.000	0.000	0.000	0.000
217	A	227	SER	0	-0.044	-0.028	104.818	-0.029	-0.029	0.000	0.000	0.000	0.000
218	A	228	SER	0	0.059	0.054	106.438	-0.006	-0.006	0.000	0.000	0.000	0.000
219	A	229	ARG	1	0.808	0.861	100.629	3.190	3.190	0.000	0.000	0.000	0.000
220	A	230	ILE	0	0.021	0.021	101.105	0.040	0.040	0.000	0.000	0.000	0.000
221	A	231	SER	0	0.083	0.059	99.543	-0.024	-0.024	0.000	0.000	0.000	0.000
222	A	232	ILE	0	-0.020	-0.022	95.556	0.031	0.031	0.000	0.000	0.000	0.000
223	A	233	TYR	0	0.023	-0.001	96.729	-0.019	-0.019	0.000	0.000	0.000	0.000
224	A	234	TRP	0	0.036	0.013	90.713	0.013	0.013	0.000	0.000	0.000	0.000
225	A	235	THR	0	0.004	0.008	95.948	0.004	0.004	0.000	0.000	0.000	0.000
226	A	236	ILE	0	0.038	0.030	90.294	0.009	0.009	0.000	0.000	0.000	0.000
227	A	237	VAL	0	-0.047	-0.018	94.422	0.025	0.025	0.000	0.000	0.000	0.000
228	A	238	LYS	1	0.979	0.996	89.128	3.629	3.629	0.000	0.000	0.000	0.000
229	A	239	PRO	0	0.029	-0.017	92.450	0.049	0.049	0.000	0.000	0.000	0.000
230	A	240	GLY	0	-0.018	0.000	95.617	-0.007	-0.007	0.000	0.000	0.000	0.000
231	A	241	ASP	-1	-0.884	-0.948	97.929	-3.272	-3.272	0.000	0.000	0.000	0.000
232	A	242	VAL	0	-0.070	-0.055	99.875	0.019	0.019	0.000	0.000	0.000	0.000
233	A	243	LEU	0	-0.036	0.002	100.196	-0.008	-0.008	0.000	0.000	0.000	0.000
234	A	244	VAL	0	0.028	0.007	102.976	0.032	0.032	0.000	0.000	0.000	0.000
235	A	245	ILE	0	-0.028	0.011	104.036	-0.015	-0.015	0.000	0.000	0.000	0.000
236	A	246	ASN	0	0.025	0.002	107.102	0.035	0.035	0.000	0.000	0.000	0.000
237	A	247	SER	0	0.027	0.002	109.490	-0.011	-0.011	0.000	0.000	0.000	0.000
238	A	248	ASN	0	0.007	0.015	111.428	-0.004	-0.004	0.000	0.000	0.000	0.000
239	A	249	GLY	0	0.045	0.013	112.659	0.030	0.030	0.000	0.000	0.000	0.000
240	A	250	ASN	0	-0.027	-0.016	109.068	0.006	0.006	0.000	0.000	0.000	0.000
241	A	251	LEU	0	0.032	0.024	105.613	-0.030	-0.030	0.000	0.000	0.000	0.000
242	A	252	ILE	0	-0.039	-0.003	102.879	0.020	0.020	0.000	0.000	0.000	0.000
243	A	253	ALA	0	-0.002	-0.002	103.708	-0.031	-0.031	0.000	0.000	0.000	0.000
244	A	254	PRO	0	0.062	0.048	100.950	-0.011	-0.011	0.000	0.000	0.000	0.000
245	A	255	ARG	1	0.815	0.894	100.933	3.179	3.179	0.000	0.000	0.000	0.000
246	A	256	GLY	0	0.059	0.009	99.638	0.017	0.017	0.000	0.000	0.000	0.000
247	A	257	TYR	0	-0.078	-0.003	94.275	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	258	PHE	0	0.040	0.015	91.223	0.004	0.004	0.000	0.000	0.000	0.000
249	A	259	LYS	1	0.854	0.927	89.117	3.655	3.655	0.000	0.000	0.000	0.000
250	A	260	MET	0	-0.012	-0.004	87.243	-0.013	-0.013	0.000	0.000	0.000	0.000
251	A	261	ARG	1	0.791	0.889	83.257	3.825	3.825	0.000	0.000	0.000	0.000
252	A	262	THR	0	0.026	0.018	80.638	0.004	0.004	0.000	0.000	0.000	0.000
253	A	263	GLY	0	0.033	-0.001	78.109	-0.004	-0.004	0.000	0.000	0.000	0.000
254	A	264	LYS	1	0.832	0.942	71.730	4.480	4.480	0.000	0.000	0.000	0.000
255	A	265	SER	0	0.042	0.017	74.971	-0.058	-0.058	0.000	0.000	0.000	0.000
256	A	266	SER	0	0.029	0.014	75.914	0.015	0.015	0.000	0.000	0.000	0.000
257	A	267	ILE	0	-0.059	-0.001	77.984	0.011	0.011	0.000	0.000	0.000	0.000
258	A	268	MET	0	0.008	0.008	71.610	-0.055	-0.055	0.000	0.000	0.000	0.000
259	A	269	ARG	1	0.941	0.980	76.815	4.076	4.076	0.000	0.000	0.000	0.000
260	A	270	SER	0	0.053	0.020	73.472	-0.057	-0.057	0.000	0.000	0.000	0.000
261	A	271	ASP	-1	-0.829	-0.906	75.547	-4.082	-4.082	0.000	0.000	0.000	0.000
262	A	272	ALA	0	0.013	0.026	71.613	-0.009	-0.009	0.000	0.000	0.000	0.000
263	A	273	PRO	0	0.035	0.017	71.797	0.054	0.054	0.000	0.000	0.000	0.000
264	A	274	ILE	0	-0.010	-0.013	72.335	-0.061	-0.061	0.000	0.000	0.000	0.000
265	A	275	ASP	-1	-0.897	-0.956	69.616	-4.628	-4.628	0.000	0.000	0.000	0.000
266	A	276	THR	0	-0.017	-0.019	69.583	0.029	0.029	0.000	0.000	0.000	0.000
267	A	278	ILE	0	0.007	0.000	63.953	0.061	0.061	0.000	0.000	0.000	0.000
268	A	279	SER	0	0.012	-0.026	63.660	-0.104	-0.104	0.000	0.000	0.000	0.000
269	A	280	GLU	-1	-0.901	-0.937	62.783	-4.966	-4.966	0.000	0.000	0.000	0.000
270	A	305	CYS	0	-0.080	-0.014	62.625	0.053	0.053	0.000	0.000	0.000	0.000
271	A	282	ILE	0	0.071	0.035	65.206	-0.011	-0.011	0.000	0.000	0.000	0.000
272	A	283	THR	0	0.025	-0.005	65.443	0.024	0.024	0.000	0.000	0.000	0.000
273	A	284	PRO	0	0.059	0.004	68.562	0.008	0.008	0.000	0.000	0.000	0.000
274	A	285	ASN	0	-0.041	-0.011	66.963	0.083	0.083	0.000	0.000	0.000	0.000
275	A	286	GLY	0	-0.012	0.004	67.953	-0.031	-0.031	0.000	0.000	0.000	0.000
276	A	287	SER	0	-0.048	-0.024	65.273	0.000	0.000	0.000	0.000	0.000	0.000
277	A	288	ILE	0	-0.025	-0.023	61.386	-0.045	-0.045	0.000	0.000	0.000	0.000
278	A	289	PRO	0	-0.005	0.008	57.538	0.051	0.051	0.000	0.000	0.000	0.000
279	A	290	ASN	0	-0.057	-0.035	58.564	-0.098	-0.098	0.000	0.000	0.000	0.000
280	A	291	ASP	-1	-0.783	-0.881	53.251	-6.044	-6.044	0.000	0.000	0.000	0.000
281	A	292	LYS	1	0.850	0.928	52.310	6.004	6.004	0.000	0.000	0.000	0.000
282	A	293	PRO	0	-0.004	0.014	52.621	0.120	0.120	0.000	0.000	0.000	0.000
283	A	294	PHE	0	-0.017	-0.028	53.459	0.150	0.150	0.000	0.000	0.000	0.000
284	A	295	GLN	0	0.006	-0.006	57.266	-0.058	-0.058	0.000	0.000	0.000	0.000
285	A	296	ASN	0	-0.012	-0.020	59.477	0.027	0.027	0.000	0.000	0.000	0.000
286	A	297	VAL	0	-0.013	0.017	61.166	0.057	0.057	0.000	0.000	0.000	0.000
287	A	298	ASN	0	0.023	-0.003	63.715	0.092	0.092	0.000	0.000	0.000	0.000
288	A	299	LYS	1	0.961	0.996	66.221	4.570	4.570	0.000	0.000	0.000	0.000
289	A	300	ILE	0	-0.039	-0.014	67.924	0.015	0.015	0.000	0.000	0.000	0.000
290	A	301	THR	0	-0.037	-0.035	65.788	-0.018	-0.018	0.000	0.000	0.000	0.000
291	A	302	TYR	0	0.025	0.000	68.689	0.077	0.077	0.000	0.000	0.000	0.000
292	A	303	GLY	0	0.067	0.043	67.834	-0.029	-0.029	0.000	0.000	0.000	0.000
293	A	304	ALA	0	0.033	0.014	62.730	-0.018	-0.018	0.000	0.000	0.000	0.000
294	A	306	PRO	0	0.063	0.036	58.415	0.008	0.008	0.000	0.000	0.000	0.000
295	A	307	LYS	1	0.788	0.904	59.759	5.515	5.515	0.000	0.000	0.000	0.000
296	A	308	TYR	0	0.003	0.010	60.483	-0.056	-0.056	0.000	0.000	0.000	0.000
297	A	309	VAL	0	-0.016	-0.002	57.761	0.028	0.028	0.000	0.000	0.000	0.000
298	A	310	LYS	1	0.828	0.901	61.104	5.175	5.175	0.000	0.000	0.000	0.000
299	A	311	GLN	0	-0.028	-0.002	55.551	0.119	0.119	0.000	0.000	0.000	0.000
300	A	312	ASN	0	0.007	-0.004	56.484	0.013	0.013	0.000	0.000	0.000	0.000
301	A	313	THR	0	-0.020	-0.016	50.927	-0.051	-0.051	0.000	0.000	0.000	0.000
302	A	314	LEU	0	-0.023	-0.030	50.975	0.029	0.029	0.000	0.000	0.000	0.000
303	A	315	LYS	1	0.944	0.984	45.918	6.876	6.876	0.000	0.000	0.000	0.000
304	A	316	LEU	0	0.015	0.013	44.881	-0.025	-0.025	0.000	0.000	0.000	0.000
305	A	317	ALA	0	0.022	-0.017	40.363	-0.074	-0.074	0.000	0.000	0.000	0.000
306	A	318	THR	0	-0.067	-0.043	40.405	0.015	0.015	0.000	0.000	0.000	0.000
307	A	319	GLY	0	0.050	0.017	36.362	-0.131	-0.131	0.000	0.000	0.000	0.000
308	A	320	MET	0	-0.076	0.001	29.944	0.088	0.088	0.000	0.000	0.000	0.000
309	A	321	ARG	1	0.962	0.977	33.498	9.357	9.357	0.000	0.000	0.000	0.000
310	A	322	ASN	0	0.042	0.016	32.608	-0.555	-0.555	0.000	0.000	0.000	0.000
311	A	323	VAL	0	-0.055	-0.003	29.149	0.255	0.255	0.000	0.000	0.000	0.000
312	A	324	PRO	0	0.102	0.049	29.071	-0.416	-0.416	0.000	0.000	0.000	0.000
313	A	325	GLU	-1	-0.939	-0.975	24.123	-12.764	-12.764	0.000	0.000	0.000	0.000
314	A	326	LYS	1	0.811	0.895	27.755	9.631	9.631	0.000	0.000	0.000	0.000
315	A	327	GLN	-1	-0.828	-0.912	26.673	-11.640	-11.640	0.000	0.000	0.000	0.000
316	B	1	GLY	1	0.819	0.896	33.126	9.645	9.645	0.000	0.000	0.000	0.000
317	B	2	LEU	0	-0.014	-0.018	34.058	-0.190	-0.190	0.000	0.000	0.000	0.000
318	B	3	PHE	0	-0.067	-0.040	30.666	-0.016	-0.016	0.000	0.000	0.000	0.000
319	B	4	GLY	0	0.036	0.044	29.831	-0.278	-0.278	0.000	0.000	0.000	0.000
320	B	5	ALA	0	0.011	0.024	26.367	-0.380	-0.380	0.000	0.000	0.000	0.000
321	B	6	ILE	0	-0.017	-0.014	27.161	-0.232	-0.232	0.000	0.000	0.000	0.000
322	B	7	ALA	0	-0.057	-0.031	28.693	0.416	0.416	0.000	0.000	0.000	0.000
323	B	8	GLY	0	-0.011	-0.013	28.198	0.478	0.478	0.000	0.000	0.000	0.000
324	B	9	PHE	0	-0.037	-0.002	22.435	-0.189	-0.189	0.000	0.000	0.000	0.000
325	B	10	ILE	0	-0.063	-0.027	22.574	-0.751	-0.751	0.000	0.000	0.000	0.000
326	B	11	GLU	-1	-0.935	-0.975	22.805	-12.192	-12.192	0.000	0.000	0.000	0.000
327	B	12	ASN	0	-0.019	0.008	24.451	0.300	0.300	0.000	0.000	0.000	0.000
328	B	13	GLY	0	-0.023	-0.014	24.962	-0.419	-0.419	0.000	0.000	0.000	0.000
329	B	14	TRP	0	-0.100	-0.062	19.148	-0.091	-0.091	0.000	0.000	0.000	0.000
330	B	15	GLU	-1	-0.867	-0.940	25.247	-10.296	-10.296	0.000	0.000	0.000	0.000
331	B	16	GLY	0	-0.021	-0.019	24.759	0.175	0.175	0.000	0.000	0.000	0.000
332	B	17	MET	0	-0.116	-0.042	23.815	-0.334	-0.334	0.000	0.000	0.000	0.000
333	B	18	ILE	0	0.036	0.020	25.393	0.343	0.343	0.000	0.000	0.000	0.000
334	B	19	ASP	-1	-0.927	-0.965	25.300	-12.301	-12.301	0.000	0.000	0.000	0.000
335	B	20	GLY	0	-0.015	-0.028	27.238	0.006	0.006	0.000	0.000	0.000	0.000
336	B	21	TRP	0	-0.026	-0.009	28.104	0.102	0.102	0.000	0.000	0.000	0.000
337	B	22	TYR	0	0.063	0.011	25.194	-0.011	-0.011	0.000	0.000	0.000	0.000
338	B	23	GLY	0	0.037	0.031	22.137	0.190	0.190	0.000	0.000	0.000	0.000
339	B	24	PHE	0	-0.057	-0.027	16.708	-0.442	-0.442	0.000	0.000	0.000	0.000
340	B	25	ARG	1	0.919	0.970	16.157	15.861	15.861	0.000	0.000	0.000	0.000
341	B	26	HIS	0	-0.007	-0.007	10.240	0.629	0.629	0.000	0.000	0.000	0.000
342	B	27	GLN	0	0.016	0.003	7.965	1.251	1.251	0.000	0.000	0.000	0.000
343	B	28	ASN	0	-0.052	-0.030	5.868	-2.593	-2.593	0.000	0.000	0.000	0.000
344	B	29	SER	0	-0.024	-0.036	3.986	-1.592	-1.344	0.000	-0.044	-0.204	0.000
345	B	30	GLU	-1	-0.925	-0.961	5.184	-32.698	-32.645	-0.001	-0.002	-0.050	0.000
346	B	31	GLY	0	0.021	0.017	8.762	3.285	3.285	0.000	0.000	0.000	0.000
347	B	32	THR	0	-0.045	-0.006	9.878	-2.033	-2.033	0.000	0.000	0.000	0.000
348	B	33	GLY	0	0.012	-0.007	12.626	0.683	0.683	0.000	0.000	0.000	0.000
349	B	34	GLN	0	0.021	-0.005	15.336	-0.604	-0.604	0.000	0.000	0.000	0.000
350	B	35	ALA	0	-0.040	-0.013	18.061	0.313	0.313	0.000	0.000	0.000	0.000
351	B	36	ALA	0	0.059	0.056	20.581	-0.438	-0.438	0.000	0.000	0.000	0.000
352	B	37	ASP	-1	-0.913	-0.976	23.137	-13.283	-13.283	0.000	0.000	0.000	0.000
353	B	38	LEU	0	0.046	0.009	24.344	0.465	0.465	0.000	0.000	0.000	0.000
354	B	39	LYS	1	0.952	0.964	26.576	11.455	11.455	0.000	0.000	0.000	0.000
355	B	40	SER	0	0.064	0.045	26.008	0.411	0.411	0.000	0.000	0.000	0.000
356	B	41	THR	0	0.075	0.028	28.292	0.273	0.273	0.000	0.000	0.000	0.000
357	B	42	GLN	0	-0.033	-0.018	30.173	0.163	0.163	0.000	0.000	0.000	0.000
358	B	43	ALA	0	0.014	0.031	32.058	0.359	0.359	0.000	0.000	0.000	0.000
359	B	44	ALA	0	-0.031	-0.011	32.546	0.332	0.332	0.000	0.000	0.000	0.000
360	B	45	ILE	0	0.002	0.003	33.726	0.339	0.339	0.000	0.000	0.000	0.000
361	B	46	ASP	-1	-0.865	-0.936	36.240	-8.443	-8.443	0.000	0.000	0.000	0.000
362	B	47	GLN	0	-0.089	-0.054	35.172	0.461	0.461	0.000	0.000	0.000	0.000
363	B	48	ILE	0	0.002	0.002	36.894	0.264	0.264	0.000	0.000	0.000	0.000
364	B	49	ASN	0	0.026	0.008	40.101	0.296	0.296	0.000	0.000	0.000	0.000
365	B	50	GLY	0	0.015	0.012	42.043	0.217	0.217	0.000	0.000	0.000	0.000
366	B	51	LYS	1	0.763	0.857	41.589	7.910	7.910	0.000	0.000	0.000	0.000
367	B	52	LEU	0	0.010	0.006	43.416	0.197	0.197	0.000	0.000	0.000	0.000
368	B	53	ASN	0	-0.052	-0.021	45.958	0.109	0.109	0.000	0.000	0.000	0.000
369	B	54	ARG	1	0.891	0.943	47.813	6.601	6.601	0.000	0.000	0.000	0.000
370	B	55	VAL	0	0.011	0.007	49.107	0.166	0.166	0.000	0.000	0.000	0.000
371	B	56	ILE	0	0.016	0.003	48.239	0.159	0.159	0.000	0.000	0.000	0.000
372	B	57	GLU	-1	-0.945	-0.949	51.527	-6.177	-6.177	0.000	0.000	0.000	0.000
373	B	58	LYS	1	0.824	0.910	52.135	6.181	6.181	0.000	0.000	0.000	0.000
374	B	59	THR	0	-0.044	-0.007	56.622	0.064	0.064	0.000	0.000	0.000	0.000
375	B	60	ASN	0	-0.037	-0.012	59.806	-0.002	-0.002	0.000	0.000	0.000	0.000
376	B	61	GLU	-1	-0.833	-0.936	63.115	-4.894	-4.894	0.000	0.000	0.000	0.000
377	B	62	LYS	1	0.822	0.925	66.216	4.877	4.877	0.000	0.000	0.000	0.000
378	B	63	PHE	0	0.064	0.026	69.228	0.003	0.003	0.000	0.000	0.000	0.000
379	B	64	HIS	0	0.032	0.016	72.491	-0.051	-0.051	0.000	0.000	0.000	0.000
380	B	65	GLN	0	-0.120	-0.060	70.416	-0.043	-0.043	0.000	0.000	0.000	0.000
381	B	66	ILE	0	0.012	0.018	74.603	0.056	0.056	0.000	0.000	0.000	0.000
382	B	67	GLU	-1	-0.863	-0.936	75.642	-4.195	-4.195	0.000	0.000	0.000	0.000
383	B	68	LYS	1	0.812	0.889	70.213	4.586	4.586	0.000	0.000	0.000	0.000
384	B	69	GLU	-1	-0.983	-0.979	73.705	-4.436	-4.436	0.000	0.000	0.000	0.000
385	B	70	PHE	0	-0.026	-0.033	77.146	0.021	0.021	0.000	0.000	0.000	0.000
386	B	71	SER	0	-0.031	0.000	80.729	-0.029	-0.029	0.000	0.000	0.000	0.000
387	B	72	GLU	-1	-0.864	-0.932	83.536	-3.744	-3.744	0.000	0.000	0.000	0.000
388	B	73	VAL	0	-0.021	-0.002	84.607	-0.039	-0.039	0.000	0.000	0.000	0.000
389	B	74	GLU	-1	-0.888	-0.949	84.564	-3.811	-3.811	0.000	0.000	0.000	0.000
390	B	75	GLY	0	0.011	0.004	85.020	0.046	0.046	0.000	0.000	0.000	0.000
391	B	76	ARG	1	0.976	0.980	84.055	3.744	3.744	0.000	0.000	0.000	0.000
392	B	77	ILE	0	0.022	0.010	82.690	-0.036	-0.036	0.000	0.000	0.000	0.000
393	B	78	GLN	0	0.051	0.022	80.464	-0.093	-0.093	0.000	0.000	0.000	0.000
394	B	79	ASP	-1	-0.940	-0.955	79.480	-4.059	-4.059	0.000	0.000	0.000	0.000
395	B	80	LEU	0	-0.039	-0.023	78.107	-0.067	-0.067	0.000	0.000	0.000	0.000
396	B	81	GLU	-1	-0.949	-0.991	77.116	-4.118	-4.118	0.000	0.000	0.000	0.000
397	B	82	LYS	1	0.890	0.952	75.358	4.102	4.102	0.000	0.000	0.000	0.000
398	B	83	TYR	0	-0.009	0.003	73.224	-0.079	-0.079	0.000	0.000	0.000	0.000
399	B	84	VAL	0	-0.005	-0.008	72.662	-0.069	-0.069	0.000	0.000	0.000	0.000
400	B	85	GLU	-1	-0.831	-0.919	69.431	-4.761	-4.761	0.000	0.000	0.000	0.000
401	B	86	ASP	-1	-0.938	-0.977	69.215	-4.805	-4.805	0.000	0.000	0.000	0.000
402	B	87	THR	0	0.045	0.022	68.022	-0.084	-0.084	0.000	0.000	0.000	0.000
403	B	88	LYS	1	0.871	0.944	66.368	4.748	4.748	0.000	0.000	0.000	0.000
404	B	89	ILE	0	-0.019	-0.027	64.217	-0.101	-0.101	0.000	0.000	0.000	0.000
405	B	90	ASP	-1	-0.770	-0.858	63.204	-5.113	-5.113	0.000	0.000	0.000	0.000
406	B	91	LEU	0	-0.029	-0.013	62.089	-0.109	-0.109	0.000	0.000	0.000	0.000
407	B	92	TRP	0	0.027	0.000	58.430	-0.137	-0.137	0.000	0.000	0.000	0.000
408	B	93	SER	0	0.050	0.004	58.998	-0.104	-0.104	0.000	0.000	0.000	0.000
409	B	94	TYR	0	-0.019	0.010	56.498	-0.138	-0.138	0.000	0.000	0.000	0.000
410	B	95	ASN	0	-0.041	-0.034	56.268	-0.115	-0.115	0.000	0.000	0.000	0.000
411	B	96	ALA	0	-0.030	-0.007	54.582	-0.121	-0.121	0.000	0.000	0.000	0.000
412	B	97	GLU	-1	-0.880	-0.951	52.592	-6.244	-6.244	0.000	0.000	0.000	0.000
413	B	98	LEU	0	0.002	0.002	51.516	-0.150	-0.150	0.000	0.000	0.000	0.000
414	B	99	LEU	0	0.002	0.008	49.977	-0.128	-0.128	0.000	0.000	0.000	0.000
415	B	100	VAL	0	0.039	0.019	47.434	-0.163	-0.163	0.000	0.000	0.000	0.000
416	B	101	ALA	0	0.007	0.023	46.651	-0.194	-0.194	0.000	0.000	0.000	0.000
417	B	102	LEU	0	-0.004	-0.024	45.817	-0.187	-0.187	0.000	0.000	0.000	0.000
418	B	103	GLU	-1	-0.876	-0.947	44.935	-7.311	-7.311	0.000	0.000	0.000	0.000
419	B	104	ASN	0	0.007	0.000	42.531	-0.294	-0.294	0.000	0.000	0.000	0.000
420	B	105	GLN	0	0.014	0.011	40.539	-0.063	-0.063	0.000	0.000	0.000	0.000
421	B	106	HIS	0	0.050	0.037	40.161	-0.174	-0.174	0.000	0.000	0.000	0.000
422	B	107	THR	0	0.017	-0.001	37.934	-0.157	-0.157	0.000	0.000	0.000	0.000
423	B	108	ILE	0	-0.007	0.016	35.903	-0.311	-0.311	0.000	0.000	0.000	0.000
424	B	109	ASP	-1	-0.824	-0.930	35.191	-8.825	-8.825	0.000	0.000	0.000	0.000
425	B	110	LEU	0	-0.078	-0.012	34.904	-0.290	-0.290	0.000	0.000	0.000	0.000
426	B	111	THR	0	0.027	-0.025	32.664	-0.280	-0.280	0.000	0.000	0.000	0.000
427	B	112	ASP	-1	-0.765	-0.873	30.574	-10.781	-10.781	0.000	0.000	0.000	0.000
428	B	113	SER	0	0.002	-0.006	29.951	-0.532	-0.532	0.000	0.000	0.000	0.000
429	B	114	GLU	-1	-0.821	-0.913	29.936	-10.566	-10.566	0.000	0.000	0.000	0.000
430	B	115	MET	0	-0.019	0.038	23.120	-0.351	-0.351	0.000	0.000	0.000	0.000
431	B	116	ASN	0	0.053	0.009	25.548	-0.829	-0.829	0.000	0.000	0.000	0.000
432	B	117	LYS	1	0.778	0.875	25.748	9.682	9.682	0.000	0.000	0.000	0.000
433	B	118	LEU	0	-0.040	0.000	22.155	-0.262	-0.262	0.000	0.000	0.000	0.000
434	B	119	PHE	0	0.034	0.026	19.069	-0.526	-0.526	0.000	0.000	0.000	0.000
435	B	120	GLU	-1	-0.803	-0.923	21.346	-13.828	-13.828	0.000	0.000	0.000	0.000
436	B	121	LYS	1	0.874	0.945	22.667	13.302	13.302	0.000	0.000	0.000	0.000
437	B	122	THR	0	0.033	-0.003	16.945	-0.071	-0.071	0.000	0.000	0.000	0.000
438	B	123	ARG	1	0.885	0.948	18.201	13.498	13.498	0.000	0.000	0.000	0.000
439	B	124	ARG	1	0.859	0.925	18.720	12.135	12.135	0.000	0.000	0.000	0.000
440	B	125	GLN	0	-0.048	0.003	17.851	-0.016	-0.016	0.000	0.000	0.000	0.000
441	B	126	LEU	0	0.018	0.006	12.591	-0.481	-0.481	0.000	0.000	0.000	0.000
442	B	127	ARG	1	0.917	0.965	14.851	14.486	14.486	0.000	0.000	0.000	0.000
443	B	128	GLU	-1	-0.912	-0.950	15.318	-17.638	-17.638	0.000	0.000	0.000	0.000
444	B	129	ASN	0	0.005	-0.027	10.933	-1.157	-1.157	0.000	0.000	0.000	0.000
445	B	130	ALA	0	-0.015	-0.019	10.293	-3.483	-3.483	0.000	0.000	0.000	0.000
446	B	131	GLU	-1	-0.856	-0.901	11.623	-21.060	-21.060	0.000	0.000	0.000	0.000
447	B	132	GLU	-1	-0.905	-0.965	13.062	-17.384	-17.384	0.000	0.000	0.000	0.000
448	B	133	MET	0	-0.106	-0.053	12.316	-0.596	-0.596	0.000	0.000	0.000	0.000
449	B	134	GLY	0	0.040	0.030	15.581	0.644	0.644	0.000	0.000	0.000	0.000
450	B	135	ASN	0	0.022	0.023	16.018	0.460	0.460	0.000	0.000	0.000	0.000
451	B	136	GLY	0	0.079	0.028	19.602	0.108	0.108	0.000	0.000	0.000	0.000
452	B	138	PHE	0	0.016	0.019	13.489	0.377	0.377	0.000	0.000	0.000	0.000
453	B	139	LYS	1	0.948	0.964	6.232	34.680	34.680	0.000	0.000	0.000	0.000
454	B	140	ILE	0	-0.017	-0.012	7.574	1.094	1.094	0.000	0.000	0.000	0.000
455	B	141	TYR	0	-0.005	-0.034	5.918	-9.487	-9.487	0.000	0.000	0.000	0.000
456	B	142	HIS	0	0.059	0.027	4.362	-0.482	-0.286	-0.001	-0.040	-0.156	0.000
457	B	143	LYS	1	0.930	0.951	1.588	51.726	45.819	13.493	-3.860	-3.727	-0.031
458	B	148	CYS	0	-0.001	0.029	3.471	10.662	11.632	0.012	-0.464	-0.518	-0.005
459	B	145	ASP	-1	-0.762	-0.881	6.557	-28.506	-28.506	0.000	0.000	0.000	0.000
460	B	146	ASN	0	0.032	0.007	8.278	0.035	0.035	0.000	0.000	0.000	0.000
461	B	147	ALA	0	0.013	0.016	11.721	1.428	1.428	0.000	0.000	0.000	0.000
462	B	149	ILE	0	-0.005	-0.016	9.514	1.200	1.200	0.000	0.000	0.000	0.000
463	B	150	GLU	-1	-0.862	-0.943	12.243	-14.890	-14.890	0.000	0.000	0.000	0.000
464	B	151	SER	0	0.037	0.026	14.040	0.715	0.715	0.000	0.000	0.000	0.000
465	B	152	ILE	0	-0.020	-0.006	11.950	0.929	0.929	0.000	0.000	0.000	0.000
466	B	153	ARG	1	0.837	0.940	16.084	19.127	19.127	0.000	0.000	0.000	0.000
467	B	154	ASN	0	-0.092	-0.046	18.330	0.620	0.620	0.000	0.000	0.000	0.000
468	B	155	GLY	0	0.027	-0.011	19.821	0.672	0.672	0.000	0.000	0.000	0.000
469	B	156	THR	0	-0.088	-0.034	19.030	0.181	0.181	0.000	0.000	0.000	0.000
470	B	157	TYR	0	-0.029	0.004	11.183	-0.036	-0.036	0.000	0.000	0.000	0.000
471	B	158	ASP	-1	-0.841	-0.925	15.944	-16.201	-16.201	0.000	0.000	0.000	0.000
472	B	159	HIS	0	-0.030	-0.037	14.570	-1.933	-1.933	0.000	0.000	0.000	0.000
473	B	160	ASP	-1	-0.884	-0.949	14.685	-17.295	-17.295	0.000	0.000	0.000	0.000
474	B	161	VAL	0	-0.041	-0.007	12.759	-0.589	-0.589	0.000	0.000	0.000	0.000
475	B	162	TYR	0	-0.010	-0.015	8.444	-0.006	-0.006	0.000	0.000	0.000	0.000
476	B	163	ARG	1	0.950	0.992	10.381	15.939	15.939	0.000	0.000	0.000	0.000
477	B	164	ASP	-1	-0.904	-0.959	11.612	-21.323	-21.323	0.000	0.000	0.000	0.000
478	B	165	GLU	-1	-0.911	-0.957	4.661	-52.092	-52.040	-0.001	-0.008	-0.042	0.000
479	B	166	ALA	0	0.021	0.017	7.890	-2.447	-2.447	0.000	0.000	0.000	0.000
480	B	167	LEU	0	-0.032	-0.023	8.853	-0.205	-0.205	0.000	0.000	0.000	0.000
481	B	168	ASN	0	-0.018	-0.003	8.748	-0.575	-0.575	0.000	0.000	0.000	0.000
482	B	169	ASN	0	-0.037	-0.040	4.777	-5.376	-5.111	-0.001	-0.016	-0.248	0.000
483	B	170	ARG	1	0.777	0.881	7.693	23.035	23.035	0.000	0.000	0.000	0.000
484	B	171	PHE	0	-0.098	-0.038	10.133	2.114	2.114	0.000	0.000	0.000	0.000
485	B	172	GLN	0	-0.030	0.018	6.403	0.352	0.352	0.000	0.000	0.000	0.000
486	B	173	ILE	0	0.017	0.004	11.300	1.546	1.546	0.000	0.000	0.000	0.000
487	B	174	LYS	1	0.876	0.940	12.946	16.605	16.605	0.000	0.000	0.000	0.000
488	B	175	GLY	-1	-0.923	-0.956	13.485	-18.680	-18.680	0.000	0.000	0.000	0.000
489	C	1	GLN	1	0.859	0.910	81.104	3.949	3.949	0.000	0.000	0.000	0.000
490	C	2	ILE	0	0.120	0.058	80.809	-0.026	-0.026	0.000	0.000	0.000	0.000
491	C	3	ILE	0	-0.059	-0.026	84.755	0.010	0.010	0.000	0.000	0.000	0.000
492	C	4	LEU	0	0.037	0.023	88.171	0.008	0.008	0.000	0.000	0.000	0.000
493	C	5	THR	0	-0.005	-0.020	90.964	0.021	0.021	0.000	0.000	0.000	0.000
494	C	6	GLN	0	0.054	-0.040	94.246	-0.023	-0.023	0.000	0.000	0.000	0.000
495	C	7	SER	0	-0.019	-0.002	96.428	0.015	0.015	0.000	0.000	0.000	0.000
496	C	8	PRO	0	-0.006	0.043	99.772	0.006	0.006	0.000	0.000	0.000	0.000
497	C	9	ALA	0	0.053	0.018	102.574	-0.010	-0.010	0.000	0.000	0.000	0.000
498	C	10	ILE	0	-0.031	-0.009	103.542	-0.005	-0.005	0.000	0.000	0.000	0.000
499	C	11	MET	0	-0.020	-0.008	106.002	0.010	0.010	0.000	0.000	0.000	0.000
500	C	12	SER	0	0.012	0.019	108.643	0.011	0.011	0.000	0.000	0.000	0.000
501	C	13	ALA	0	0.017	0.010	111.190	0.003	0.003	0.000	0.000	0.000	0.000
502	C	14	SER	0	-0.020	-0.031	113.116	0.009	0.009	0.000	0.000	0.000	0.000
503	C	15	PRO	0	0.052	0.020	114.406	-0.020	-0.020	0.000	0.000	0.000	0.000
504	C	16	GLY	0	-0.048	-0.026	113.951	0.020	0.020	0.000	0.000	0.000	0.000
505	C	17	GLU	-1	-0.900	-0.941	112.066	-2.897	-2.897	0.000	0.000	0.000	0.000
506	C	18	LYS	1	0.951	0.991	105.171	3.068	3.068	0.000	0.000	0.000	0.000
507	C	19	VAL	0	-0.010	-0.001	105.216	0.008	0.008	0.000	0.000	0.000	0.000
508	C	20	THR	0	0.005	-0.015	101.837	-0.014	-0.014	0.000	0.000	0.000	0.000
509	C	21	MET	0	-0.070	-0.006	99.817	0.009	0.009	0.000	0.000	0.000	0.000
510	C	22	THR	0	0.047	0.003	96.823	-0.017	-0.017	0.000	0.000	0.000	0.000
511	C	88	CYS	0	-0.085	0.011	92.618	-0.002	-0.002	0.000	0.000	0.000	0.000
512	C	24	SER	0	0.010	0.013	92.393	-0.010	-0.010	0.000	0.000	0.000	0.000
513	C	25	ALA	0	0.038	0.051	86.971	-0.003	-0.003	0.000	0.000	0.000	0.000
514	C	26	SER	0	-0.014	-0.013	86.563	0.002	0.002	0.000	0.000	0.000	0.000
515	C	27	SER	0	-0.025	-0.032	81.474	-0.049	-0.049	0.000	0.000	0.000	0.000
516	C	28	ASP	-1	-0.893	-0.937	82.496	-3.830	-3.830	0.000	0.000	0.000	0.000
517	C	29	ILE	0	-0.117	-0.038	82.680	-0.052	-0.052	0.000	0.000	0.000	0.000
518	C	30	SER	0	0.059	0.032	81.069	0.015	0.015	0.000	0.000	0.000	0.000
519	C	32	TYR	0	-0.037	-0.015	82.410	0.038	0.038	0.000	0.000	0.000	0.000
520	C	33	MET	0	-0.012	0.011	86.879	-0.018	-0.018	0.000	0.000	0.000	0.000
521	C	34	HIS	0	-0.019	0.001	85.486	0.053	0.053	0.000	0.000	0.000	0.000
522	C	35	TRP	0	0.028	0.007	90.853	0.025	0.025	0.000	0.000	0.000	0.000
523	C	36	TYR	0	0.026	0.021	88.873	0.001	0.001	0.000	0.000	0.000	0.000
524	C	37	GLN	0	0.021	0.014	95.425	0.033	0.033	0.000	0.000	0.000	0.000
525	C	38	GLN	0	-0.053	-0.055	98.135	-0.021	-0.021	0.000	0.000	0.000	0.000
526	C	39	LYS	1	0.773	0.868	100.402	3.095	3.095	0.000	0.000	0.000	0.000
527	C	40	SER	0	0.041	0.000	102.678	-0.032	-0.032	0.000	0.000	0.000	0.000
528	C	41	ASP	-1	-0.929	-0.941	102.722	-3.097	-3.097	0.000	0.000	0.000	0.000
529	C	42	THR	0	-0.036	-0.036	100.713	0.003	0.003	0.000	0.000	0.000	0.000
530	C	43	SER	0	-0.020	-0.014	95.190	-0.002	-0.002	0.000	0.000	0.000	0.000
531	C	44	PRO	0	-0.016	0.008	94.264	0.024	0.024	0.000	0.000	0.000	0.000
532	C	45	LYS	1	0.919	0.972	95.327	3.258	3.258	0.000	0.000	0.000	0.000
533	C	46	ILE	0	-0.020	-0.008	90.773	0.012	0.012	0.000	0.000	0.000	0.000
534	C	47	TRP	0	-0.017	-0.017	94.190	0.019	0.019	0.000	0.000	0.000	0.000
535	C	48	ILE	0	0.021	0.012	93.926	0.015	0.015	0.000	0.000	0.000	0.000
536	C	49	TYR	0	-0.003	0.012	88.272	-0.034	-0.034	0.000	0.000	0.000	0.000
537	C	50	ASP	-1	-0.834	-0.958	86.279	-3.780	-3.780	0.000	0.000	0.000	0.000
538	C	51	THR	0	-0.021	0.011	88.803	0.000	0.000	0.000	0.000	0.000	0.000
539	C	52	SER	0	-0.028	-0.030	91.374	0.033	0.033	0.000	0.000	0.000	0.000
540	C	53	LYS	1	0.868	0.958	87.572	3.739	3.739	0.000	0.000	0.000	0.000
541	C	54	LEU	0	0.017	0.013	93.564	-0.011	-0.011	0.000	0.000	0.000	0.000
542	C	55	ALA	0	0.008	0.010	94.390	-0.026	-0.026	0.000	0.000	0.000	0.000
543	C	56	SER	0	-0.003	-0.009	95.327	0.046	0.046	0.000	0.000	0.000	0.000
544	C	57	GLY	0	-0.035	-0.025	97.170	0.010	0.010	0.000	0.000	0.000	0.000
545	C	58	VAL	0	-0.055	-0.003	98.191	0.040	0.040	0.000	0.000	0.000	0.000
546	C	59	PRO	0	0.010	0.014	100.950	-0.006	-0.006	0.000	0.000	0.000	0.000
547	C	60	ALA	0	0.051	0.000	102.875	-0.019	-0.019	0.000	0.000	0.000	0.000
548	C	61	ARG	1	0.757	0.898	103.687	3.016	3.016	0.000	0.000	0.000	0.000
549	C	62	PHE	0	0.049	0.030	100.752	0.003	0.003	0.000	0.000	0.000	0.000
550	C	63	SER	0	0.035	0.005	99.059	-0.010	-0.010	0.000	0.000	0.000	0.000
551	C	64	GLY	0	0.026	0.009	96.176	0.012	0.012	0.000	0.000	0.000	0.000
552	C	65	SER	0	-0.017	-0.019	94.377	-0.008	-0.008	0.000	0.000	0.000	0.000
553	C	66	GLY	0	0.039	0.007	92.822	0.010	0.010	0.000	0.000	0.000	0.000
554	C	67	SER	0	-0.064	-0.037	88.800	-0.005	-0.005	0.000	0.000	0.000	0.000
555	C	68	GLY	0	0.103	0.076	87.276	-0.038	-0.038	0.000	0.000	0.000	0.000
556	C	69	THR	0	0.026	0.013	87.701	-0.032	-0.032	0.000	0.000	0.000	0.000
557	C	70	SER	0	-0.006	-0.019	89.589	0.012	0.012	0.000	0.000	0.000	0.000
558	C	71	TYR	0	-0.017	-0.006	87.367	-0.005	-0.005	0.000	0.000	0.000	0.000
559	C	72	SER	0	-0.014	-0.028	94.041	0.019	0.019	0.000	0.000	0.000	0.000
560	C	73	LEU	0	0.015	0.019	96.804	-0.025	-0.025	0.000	0.000	0.000	0.000
561	C	74	THR	0	-0.026	-0.035	99.270	0.025	0.025	0.000	0.000	0.000	0.000
562	C	75	ILE	0	0.025	0.017	102.559	-0.015	-0.015	0.000	0.000	0.000	0.000
563	C	76	SER	0	-0.045	-0.039	105.383	0.029	0.029	0.000	0.000	0.000	0.000
564	C	77	THR	0	0.004	-0.005	107.820	0.015	0.015	0.000	0.000	0.000	0.000
565	C	78	MET	0	0.012	0.041	109.456	-0.014	-0.014	0.000	0.000	0.000	0.000
566	C	79	GLU	-1	-0.905	-0.959	110.366	-2.919	-2.919	0.000	0.000	0.000	0.000
567	C	80	ALA	0	0.002	-0.039	111.215	-0.012	-0.012	0.000	0.000	0.000	0.000
568	C	81	GLU	-1	-0.841	-0.940	107.308	-3.046	-3.046	0.000	0.000	0.000	0.000
569	C	82	ASP	-1	-0.769	-0.856	106.658	-3.073	-3.073	0.000	0.000	0.000	0.000
570	C	83	ALA	0	0.011	0.022	106.400	-0.026	-0.026	0.000	0.000	0.000	0.000
571	C	84	ALA	0	-0.041	-0.019	103.309	-0.006	-0.006	0.000	0.000	0.000	0.000
572	C	85	THR	0	0.016	0.021	100.370	0.028	0.028	0.000	0.000	0.000	0.000
573	C	86	TYR	0	0.008	0.006	99.266	-0.024	-0.024	0.000	0.000	0.000	0.000
574	C	87	TYR	0	0.024	0.016	94.527	0.015	0.015	0.000	0.000	0.000	0.000
575	C	89	HIS	0	0.046	0.005	86.292	0.004	0.004	0.000	0.000	0.000	0.000
576	C	90	GLN	0	0.053	0.031	82.281	0.014	0.014	0.000	0.000	0.000	0.000
577	C	91	ARG	1	0.900	0.911	82.807	3.907	3.907	0.000	0.000	0.000	0.000
578	C	92	SER	0	0.030	0.024	80.551	-0.031	-0.031	0.000	0.000	0.000	0.000
579	C	93	SER	0	0.028	-0.001	78.028	-0.051	-0.051	0.000	0.000	0.000	0.000
580	C	94	TYR	0	-0.011	0.009	74.482	0.020	0.020	0.000	0.000	0.000	0.000
581	C	95	PRO	0	-0.033	-0.012	80.391	0.039	0.039	0.000	0.000	0.000	0.000
582	C	97	THR	0	-0.041	-0.018	83.680	0.011	0.011	0.000	0.000	0.000	0.000
583	C	98	PHE	0	0.036	-0.004	86.890	0.006	0.006	0.000	0.000	0.000	0.000
584	C	99	GLY	0	-0.011	-0.012	90.601	-0.004	-0.004	0.000	0.000	0.000	0.000
585	C	100	GLY	0	-0.026	-0.018	93.622	-0.005	-0.005	0.000	0.000	0.000	0.000
586	C	101	GLY	0	-0.044	-0.023	96.398	0.027	0.027	0.000	0.000	0.000	0.000
587	C	102	THR	0	-0.011	-0.010	98.658	0.001	0.001	0.000	0.000	0.000	0.000
588	C	103	LYS	1	0.796	0.895	102.031	3.033	3.033	0.000	0.000	0.000	0.000
589	C	104	LEU	0	-0.025	-0.033	105.076	0.015	0.015	0.000	0.000	0.000	0.000
590	C	105	GLU	-1	-0.831	-0.930	106.985	-2.958	-2.958	0.000	0.000	0.000	0.000
591	C	106	ILE	0	-0.014	0.034	110.563	0.007	0.007	0.000	0.000	0.000	0.000
592	C	106	LYS	1	0.862	0.955	113.233	2.840	2.840	0.000	0.000	0.000	0.000
593	C	107	ARG	1	0.884	0.932	116.739	2.697	2.697	0.000	0.000	0.000	0.000
594	C	108	ALA	0	0.016	0.001	119.760	0.006	0.006	0.000	0.000	0.000	0.000
595	C	109	ASP	-1	-0.863	-0.945	123.311	-2.658	-2.658	0.000	0.000	0.000	0.000
596	C	110	ALA	0	-0.022	-0.014	124.107	0.016	0.016	0.000	0.000	0.000	0.000
597	C	111	ALA	0	-0.002	0.002	125.251	-0.014	-0.014	0.000	0.000	0.000	0.000
598	C	112	PRO	0	0.015	0.016	124.779	-0.009	-0.009	0.000	0.000	0.000	0.000
599	C	113	THR	0	0.012	-0.008	125.630	0.030	0.030	0.000	0.000	0.000	0.000
600	C	114	VAL	0	-0.007	0.006	126.112	-0.018	-0.018	0.000	0.000	0.000	0.000
601	C	115	SER	0	-0.021	-0.030	126.852	0.029	0.029	0.000	0.000	0.000	0.000
602	C	116	ILE	0	-0.014	0.015	126.900	-0.023	-0.023	0.000	0.000	0.000	0.000
603	C	117	PHE	0	-0.047	-0.024	125.274	0.014	0.014	0.000	0.000	0.000	0.000
604	C	118	PRO	0	0.051	0.017	127.809	-0.007	-0.007	0.000	0.000	0.000	0.000
605	C	119	PRO	0	-0.014	0.018	126.126	-0.018	-0.018	0.000	0.000	0.000	0.000
606	C	120	SER	0	0.048	0.023	124.379	0.017	0.017	0.000	0.000	0.000	0.000
607	C	121	LYS	1	1.017	0.991	126.873	2.455	2.455	0.000	0.000	0.000	0.000
608	C	122	ILE	0	0.001	-0.002	122.530	-0.009	-0.009	0.000	0.000	0.000	0.000
609	C	123	GLN	0	0.017	-0.008	121.642	0.000	0.000	0.000	0.000	0.000	0.000
610	C	124	LEU	0	0.025	0.014	123.626	-0.007	-0.007	0.000	0.000	0.000	0.000
611	C	125	THR	0	-0.045	-0.013	125.444	0.010	0.010	0.000	0.000	0.000	0.000
612	C	126	SER	0	-0.071	-0.029	120.996	0.004	0.004	0.000	0.000	0.000	0.000
613	C	127	GLY	0	0.055	0.022	122.597	-0.013	-0.013	0.000	0.000	0.000	0.000
614	C	128	GLY	0	-0.035	-0.016	122.470	-0.007	-0.007	0.000	0.000	0.000	0.000
615	C	129	ALA	0	-0.013	-0.018	123.506	0.009	0.009	0.000	0.000	0.000	0.000
616	C	130	SER	0	-0.013	0.003	120.222	-0.007	-0.007	0.000	0.000	0.000	0.000
617	C	131	VAL	0	0.003	0.017	123.328	0.005	0.005	0.000	0.000	0.000	0.000
618	C	132	VAL	0	-0.002	0.006	121.300	-0.012	-0.012	0.000	0.000	0.000	0.000
619	C	193	CYS	0	-0.086	-0.032	123.156	0.011	0.011	0.000	0.000	0.000	0.000
620	C	134	PHE	0	-0.007	-0.008	119.317	-0.026	-0.026	0.000	0.000	0.000	0.000
621	C	135	LEU	0	-0.004	0.002	122.337	0.025	0.025	0.000	0.000	0.000	0.000
622	C	136	ASN	0	0.044	-0.012	120.633	-0.044	-0.044	0.000	0.000	0.000	0.000
623	C	137	ASN	0	-0.007	-0.006	120.658	0.029	0.029	0.000	0.000	0.000	0.000
624	C	138	PHE	0	0.026	0.044	119.487	0.019	0.019	0.000	0.000	0.000	0.000
625	C	139	TYR	0	0.054	0.030	117.068	-0.041	-0.041	0.000	0.000	0.000	0.000
626	C	140	PRO	0	0.022	0.006	119.585	0.026	0.026	0.000	0.000	0.000	0.000
627	C	141	LYS	1	0.900	0.955	112.292	2.918	2.918	0.000	0.000	0.000	0.000
628	C	142	ASP	-1	-0.937	-0.961	118.164	-2.772	-2.772	0.000	0.000	0.000	0.000
629	C	143	ILE	0	0.008	0.011	120.297	0.030	0.030	0.000	0.000	0.000	0.000
630	C	144	ASN	0	-0.026	-0.011	121.915	-0.030	-0.030	0.000	0.000	0.000	0.000
631	C	145	VAL	0	0.026	0.008	123.026	0.022	0.022	0.000	0.000	0.000	0.000
632	C	146	LYS	1	0.761	0.900	125.094	2.459	2.459	0.000	0.000	0.000	0.000
633	C	147	TRP	0	0.028	-0.022	123.501	0.022	0.022	0.000	0.000	0.000	0.000
634	C	148	LYS	1	0.736	0.894	125.759	2.604	2.604	0.000	0.000	0.000	0.000
635	C	149	ILE	0	0.045	0.102	129.078	0.007	0.007	0.000	0.000	0.000	0.000
636	C	150	ASP	-1	-0.829	-0.908	132.526	-2.418	-2.418	0.000	0.000	0.000	0.000
637	C	151	GLY	0	0.043	0.028	134.236	0.016	0.016	0.000	0.000	0.000	0.000
638	C	152	SER	0	-0.089	-0.049	133.575	0.001	0.001	0.000	0.000	0.000	0.000
639	C	153	GLU	-1	-0.828	-0.941	130.323	-2.500	-2.500	0.000	0.000	0.000	0.000
640	C	154	ARG	1	0.908	0.951	128.155	2.497	2.497	0.000	0.000	0.000	0.000
641	C	155	GLN	0	0.010	-0.019	123.485	0.003	0.003	0.000	0.000	0.000	0.000
642	C	156	ASN	0	0.007	-0.004	121.130	0.006	0.006	0.000	0.000	0.000	0.000
643	C	157	GLY	0	0.012	0.015	120.739	-0.024	-0.024	0.000	0.000	0.000	0.000
644	C	158	VAL	0	-0.009	-0.013	120.636	0.012	0.012	0.000	0.000	0.000	0.000
645	C	159	LEU	0	-0.041	0.005	114.368	-0.020	-0.020	0.000	0.000	0.000	0.000
646	C	160	ASN	0	0.037	-0.010	116.308	0.035	0.035	0.000	0.000	0.000	0.000
647	C	161	SER	0	0.007	0.002	113.134	-0.034	-0.034	0.000	0.000	0.000	0.000
648	C	162	TRP	0	0.058	-0.006	112.751	0.043	0.043	0.000	0.000	0.000	0.000
649	C	163	THR	0	-0.042	-0.002	112.356	-0.028	-0.028	0.000	0.000	0.000	0.000
650	C	164	ASP	-1	-0.803	-0.883	108.218	-3.003	-3.003	0.000	0.000	0.000	0.000
651	C	165	GLN	0	-0.040	-0.024	111.286	-0.006	-0.006	0.000	0.000	0.000	0.000
652	C	166	ASP	-1	-0.767	-0.893	111.308	-2.907	-2.907	0.000	0.000	0.000	0.000
653	C	167	SER	0	-0.011	-0.036	109.177	0.000	0.000	0.000	0.000	0.000	0.000
654	C	168	LYS	1	0.831	0.930	112.213	2.856	2.856	0.000	0.000	0.000	0.000
655	C	169	ASP	-1	-0.875	-0.942	115.298	-2.715	-2.715	0.000	0.000	0.000	0.000
656	C	170	SER	0	-0.064	-0.031	115.211	0.015	0.015	0.000	0.000	0.000	0.000
657	C	171	THR	0	-0.065	0.014	116.244	-0.005	-0.005	0.000	0.000	0.000	0.000
658	C	172	TYR	0	0.019	0.000	112.802	-0.025	-0.025	0.000	0.000	0.000	0.000
659	C	173	SER	0	0.035	0.002	116.935	0.032	0.032	0.000	0.000	0.000	0.000
660	C	174	MET	0	-0.023	-0.006	117.152	-0.021	-0.021	0.000	0.000	0.000	0.000
661	C	175	SER	0	-0.028	-0.011	117.229	0.027	0.027	0.000	0.000	0.000	0.000
662	C	176	SER	0	0.054	0.044	118.488	-0.023	-0.023	0.000	0.000	0.000	0.000
663	C	177	THR	0	-0.023	-0.031	119.304	0.021	0.021	0.000	0.000	0.000	0.000
664	C	178	LEU	0	-0.013	0.027	121.114	-0.015	-0.015	0.000	0.000	0.000	0.000
665	C	179	THR	0	-0.022	-0.028	119.682	0.004	0.004	0.000	0.000	0.000	0.000
666	C	180	LEU	0	-0.022	0.008	122.708	-0.008	-0.008	0.000	0.000	0.000	0.000
667	C	181	THR	0	0.033	-0.006	123.516	-0.011	-0.011	0.000	0.000	0.000	0.000
668	C	182	LYS	1	0.838	0.934	125.543	2.530	2.530	0.000	0.000	0.000	0.000
669	C	183	ASP	-1	-0.786	-0.888	127.775	-2.502	-2.502	0.000	0.000	0.000	0.000
670	C	184	GLU	-1	-0.946	-1.044	127.696	-2.512	-2.512	0.000	0.000	0.000	0.000
671	C	185	TYR	0	-0.019	-0.003	128.729	0.011	0.011	0.000	0.000	0.000	0.000
672	C	186	GLU	-1	-0.843	-0.954	130.586	-2.465	-2.465	0.000	0.000	0.000	0.000
673	C	187	ARG	1	0.843	0.991	130.837	2.496	2.496	0.000	0.000	0.000	0.000
674	C	188	HIS	0	-0.081	-0.042	131.816	0.027	0.027	0.000	0.000	0.000	0.000
675	C	189	ASN	0	0.009	0.000	135.622	-0.003	-0.003	0.000	0.000	0.000	0.000
676	C	190	SER	0	-0.024	0.023	136.440	-0.003	-0.003	0.000	0.000	0.000	0.000
677	C	191	TYR	0	0.078	-0.009	130.717	-0.019	-0.019	0.000	0.000	0.000	0.000
678	C	192	THR	0	0.044	-0.021	132.486	0.009	0.009	0.000	0.000	0.000	0.000
679	C	194	GLU	-1	-0.796	-0.904	129.825	-2.455	-2.455	0.000	0.000	0.000	0.000
680	C	195	ALA	0	0.002	-0.009	127.002	-0.025	-0.025	0.000	0.000	0.000	0.000
681	C	196	THR	0	-0.013	-0.022	127.484	0.020	0.020	0.000	0.000	0.000	0.000
682	C	197	HIS	0	0.028	-0.016	122.811	-0.021	-0.021	0.000	0.000	0.000	0.000
683	C	198	LYS	1	0.965	0.998	123.944	2.638	2.638	0.000	0.000	0.000	0.000
684	C	199	THR	0	-0.040	-0.013	127.199	0.014	0.014	0.000	0.000	0.000	0.000
685	C	200	SER	0	-0.035	-0.022	129.533	0.025	0.025	0.000	0.000	0.000	0.000
686	C	201	THR	0	0.013	0.019	131.451	-0.020	-0.020	0.000	0.000	0.000	0.000
687	C	202	SER	0	-0.016	-0.016	133.854	-0.006	-0.006	0.000	0.000	0.000	0.000
688	C	203	PRO	0	-0.007	0.011	131.682	-0.007	-0.007	0.000	0.000	0.000	0.000
689	C	204	ILE	0	-0.007	0.001	129.691	0.020	0.020	0.000	0.000	0.000	0.000
690	C	205	VAL	0	0.044	0.016	131.533	-0.017	-0.017	0.000	0.000	0.000	0.000
691	C	206	LYS	1	0.816	0.940	130.462	2.485	2.485	0.000	0.000	0.000	0.000
692	C	207	SER	0	0.047	-0.004	132.797	-0.016	-0.016	0.000	0.000	0.000	0.000
693	C	208	PHE	0	-0.053	-0.013	129.926	0.012	0.012	0.000	0.000	0.000	0.000
694	C	209	ASN	0	-0.012	-0.055	135.232	0.006	0.006	0.000	0.000	0.000	0.000
695	C	210	ARG	1	0.921	0.971	136.671	2.359	2.359	0.000	0.000	0.000	0.000
696	C	211	ASN	-1	-0.802	-0.870	132.830	-2.454	-2.454	0.000	0.000	0.000	0.000
697	D	1	GLN	1	0.818	0.905	91.644	3.521	3.521	0.000	0.000	0.000	0.000
698	D	2	VAL	0	0.024	0.035	88.510	-0.009	-0.009	0.000	0.000	0.000	0.000
699	D	3	GLN	0	-0.041	-0.025	90.219	0.076	0.076	0.000	0.000	0.000	0.000
700	D	4	LEU	0	0.040	0.034	86.661	-0.038	-0.038	0.000	0.000	0.000	0.000
701	D	5	GLN	0	-0.045	-0.033	90.271	0.036	0.036	0.000	0.000	0.000	0.000
702	D	6	GLN	0	-0.044	-0.050	90.150	-0.054	-0.054	0.000	0.000	0.000	0.000
703	D	7	SER	0	0.030	0.025	90.149	0.034	0.034	0.000	0.000	0.000	0.000
704	D	8	GLY	0	0.021	0.010	92.426	0.021	0.021	0.000	0.000	0.000	0.000
705	D	9	ALA	0	-0.039	-0.023	94.364	-0.030	-0.030	0.000	0.000	0.000	0.000
706	D	10	GLU	-1	-0.913	-0.972	91.946	-3.534	-3.534	0.000	0.000	0.000	0.000
707	D	11	LEU	0	-0.030	-0.044	95.060	0.037	0.037	0.000	0.000	0.000	0.000
708	D	12	MET	0	-0.050	0.003	90.235	-0.005	-0.005	0.000	0.000	0.000	0.000
709	D	13	LYS	1	0.911	0.953	93.392	3.398	3.398	0.000	0.000	0.000	0.000
710	D	14	PRO	0	0.047	0.017	92.245	-0.032	-0.032	0.000	0.000	0.000	0.000
711	D	15	GLY	0	0.030	0.021	88.507	0.003	0.003	0.000	0.000	0.000	0.000
712	D	16	PRO	0	-0.070	-0.020	87.107	-0.054	-0.054	0.000	0.000	0.000	0.000
713	D	17	SER	0	0.042	0.004	83.983	-0.005	-0.005	0.000	0.000	0.000	0.000
714	D	18	VAL	0	0.002	0.036	86.899	0.021	0.021	0.000	0.000	0.000	0.000
715	D	19	LYS	1	0.920	0.939	81.103	3.937	3.937	0.000	0.000	0.000	0.000
716	D	20	ILE	0	0.004	0.024	86.603	0.035	0.035	0.000	0.000	0.000	0.000
717	D	21	SER	0	-0.029	-0.029	86.023	-0.043	-0.043	0.000	0.000	0.000	0.000
718	D	92	CYS	0	-0.014	0.006	86.220	0.017	0.017	0.000	0.000	0.000	0.000
719	D	23	LYS	1	0.918	0.984	85.875	3.701	3.701	0.000	0.000	0.000	0.000
720	D	24	ALA	0	0.042	0.036	84.719	0.050	0.050	0.000	0.000	0.000	0.000
721	D	25	THR	0	-0.051	-0.041	86.327	-0.021	-0.021	0.000	0.000	0.000	0.000
722	D	26	GLY	0	0.026	-0.004	87.697	0.033	0.033	0.000	0.000	0.000	0.000
723	D	27	TYR	0	0.063	0.009	82.158	0.036	0.036	0.000	0.000	0.000	0.000
724	D	28	SER	0	-0.008	-0.001	79.675	0.022	0.022	0.000	0.000	0.000	0.000
725	D	29	PHE	0	0.058	0.020	79.152	-0.015	-0.015	0.000	0.000	0.000	0.000
726	D	30	SER	0	0.022	-0.002	75.295	0.020	0.020	0.000	0.000	0.000	0.000
727	D	31	THR	0	0.004	0.012	75.980	-0.068	-0.068	0.000	0.000	0.000	0.000
728	D	32	TYR	0	-0.064	-0.032	77.723	-0.011	-0.011	0.000	0.000	0.000	0.000
729	D	33	PHE	0	0.056	0.032	73.979	0.001	0.001	0.000	0.000	0.000	0.000
730	D	34	ILE	0	-0.070	-0.028	79.387	0.064	0.064	0.000	0.000	0.000	0.000
731	D	35	GLU	-1	-0.812	-0.901	81.431	-3.899	-3.899	0.000	0.000	0.000	0.000
732	D	36	TRP	0	0.030	-0.001	82.276	0.076	0.076	0.000	0.000	0.000	0.000
733	D	37	ILE	0	0.007	0.020	85.422	-0.021	-0.021	0.000	0.000	0.000	0.000
734	D	38	ARG	1	0.791	0.909	88.285	3.672	3.672	0.000	0.000	0.000	0.000
735	D	39	GLN	0	0.021	0.002	91.029	-0.002	-0.002	0.000	0.000	0.000	0.000
736	D	40	ARG	1	0.899	0.977	92.300	3.517	3.517	0.000	0.000	0.000	0.000
737	D	41	PRO	0	0.000	-0.006	95.845	0.010	0.010	0.000	0.000	0.000	0.000
738	D	42	GLY	0	0.019	0.016	99.478	0.005	0.005	0.000	0.000	0.000	0.000
739	D	43	HIS	0	0.025	-0.007	94.687	-0.013	-0.013	0.000	0.000	0.000	0.000
740	D	44	GLY	0	-0.005	0.017	94.958	-0.024	-0.024	0.000	0.000	0.000	0.000
741	D	45	LEU	0	-0.028	-0.006	91.592	-0.004	-0.004	0.000	0.000	0.000	0.000
742	D	46	GLU	-1	-0.754	-0.884	87.402	-3.720	-3.720	0.000	0.000	0.000	0.000
743	D	47	TRP	0	-0.010	-0.014	79.360	-0.013	-0.013	0.000	0.000	0.000	0.000
744	D	48	ILE	0	-0.053	-0.017	82.798	-0.022	-0.022	0.000	0.000	0.000	0.000
745	D	49	GLY	0	0.038	-0.017	80.468	-0.051	-0.051	0.000	0.000	0.000	0.000
746	D	50	GLU	-1	-0.930	-0.960	77.726	-4.092	-4.092	0.000	0.000	0.000	0.000
747	D	51	ILE	0	-0.023	0.007	75.431	-0.058	-0.058	0.000	0.000	0.000	0.000
748	D	52	LEU	0	-0.012	0.027	72.680	0.060	0.060	0.000	0.000	0.000	0.000
749	D	52	PRO	0	0.045	0.005	74.333	-0.058	-0.058	0.000	0.000	0.000	0.000
750	D	53	GLY	0	0.008	0.001	72.877	-0.006	-0.006	0.000	0.000	0.000	0.000
751	D	54	SER	0	-0.059	-0.019	69.850	-0.058	-0.058	0.000	0.000	0.000	0.000
752	D	55	ASP	-1	-0.896	-0.965	70.011	-4.506	-4.506	0.000	0.000	0.000	0.000
753	D	56	ASN	0	-0.009	0.001	69.522	-0.007	-0.007	0.000	0.000	0.000	0.000
754	D	57	THR	0	-0.013	-0.018	71.778	0.053	0.053	0.000	0.000	0.000	0.000
755	D	58	ASN	0	0.007	0.007	73.429	-0.091	-0.091	0.000	0.000	0.000	0.000
756	D	59	PHE	0	0.005	-0.019	75.709	0.063	0.063	0.000	0.000	0.000	0.000
757	D	60	ASN	0	0.022	0.025	77.624	-0.063	-0.063	0.000	0.000	0.000	0.000
758	D	61	GLU	-1	-0.852	-0.957	75.823	-4.304	-4.304	0.000	0.000	0.000	0.000
759	D	62	LYS	1	0.808	0.898	78.782	3.718	3.718	0.000	0.000	0.000	0.000
760	D	63	PHE	0	-0.050	-0.031	81.141	0.041	0.041	0.000	0.000	0.000	0.000
761	D	64	LYS	1	0.866	0.950	73.759	4.362	4.362	0.000	0.000	0.000	0.000
762	D	65	ASP	-1	-0.926	-0.949	73.793	-4.394	-4.394	0.000	0.000	0.000	0.000
763	D	66	ARG	1	0.835	0.883	77.051	3.860	3.860	0.000	0.000	0.000	0.000
764	D	67	ALA	0	-0.062	-0.018	80.238	0.044	0.044	0.000	0.000	0.000	0.000
765	D	68	THR	0	0.006	0.003	77.010	-0.068	-0.068	0.000	0.000	0.000	0.000
766	D	69	PHE	0	-0.020	0.005	77.583	0.063	0.063	0.000	0.000	0.000	0.000
767	D	70	THR	0	0.017	0.010	76.281	-0.044	-0.044	0.000	0.000	0.000	0.000
768	D	71	ALA	0	0.018	-0.012	77.046	0.071	0.071	0.000	0.000	0.000	0.000
769	D	72	ASP	-1	-0.830	-0.889	76.929	-4.177	-4.177	0.000	0.000	0.000	0.000
770	D	73	THR	0	0.037	0.003	75.177	0.052	0.052	0.000	0.000	0.000	0.000
771	D	74	PRO	0	-0.008	0.010	76.983	0.044	0.044	0.000	0.000	0.000	0.000
772	D	75	SER	0	-0.053	-0.024	79.766	0.045	0.045	0.000	0.000	0.000	0.000
773	D	76	ASN	0	-0.052	-0.038	81.516	0.029	0.029	0.000	0.000	0.000	0.000
774	D	77	THR	0	-0.020	-0.010	82.362	0.057	0.057	0.000	0.000	0.000	0.000
775	D	78	ALA	0	0.050	0.042	81.256	-0.060	-0.060	0.000	0.000	0.000	0.000
776	D	79	TYR	0	-0.046	-0.061	81.352	0.071	0.071	0.000	0.000	0.000	0.000
777	D	80	MET	0	0.032	0.030	81.515	-0.047	-0.047	0.000	0.000	0.000	0.000
778	D	81	GLN	0	-0.044	-0.015	80.737	0.043	0.043	0.000	0.000	0.000	0.000
779	D	82	LEU	0	0.035	0.027	82.373	-0.042	-0.042	0.000	0.000	0.000	0.000
780	D	82	SER	0	-0.036	-0.046	81.289	0.048	0.048	0.000	0.000	0.000	0.000
781	D	82	SER	0	0.015	0.000	83.116	0.000	0.000	0.000	0.000	0.000	0.000
782	D	82	LEU	0	-0.034	0.006	85.924	0.005	0.005	0.000	0.000	0.000	0.000
783	D	83	THR	0	0.061	0.030	89.168	0.018	0.018	0.000	0.000	0.000	0.000
784	D	84	SER	0	0.020	-0.003	91.815	-0.012	-0.012	0.000	0.000	0.000	0.000
785	D	85	GLU	-1	-0.910	-0.967	91.753	-3.416	-3.416	0.000	0.000	0.000	0.000
786	D	86	ASP	-1	-0.820	-0.896	88.856	-3.703	-3.703	0.000	0.000	0.000	0.000
787	D	87	SER	0	0.059	0.042	91.683	-0.022	-0.022	0.000	0.000	0.000	0.000
788	D	88	ALA	0	-0.022	-0.020	93.314	0.010	0.010	0.000	0.000	0.000	0.000
789	D	89	VAL	0	-0.002	0.025	94.858	-0.002	-0.002	0.000	0.000	0.000	0.000
790	D	90	TYR	0	0.018	-0.010	88.377	-0.044	-0.044	0.000	0.000	0.000	0.000
791	D	91	TYR	0	-0.003	0.001	90.970	0.014	0.014	0.000	0.000	0.000	0.000
792	D	93	ALA	0	0.066	0.003	86.335	0.054	0.054	0.000	0.000	0.000	0.000
793	D	94	ARG	1	0.743	0.882	83.832	3.736	3.736	0.000	0.000	0.000	0.000
794	D	95	PRO	0	-0.005	-0.016	83.762	0.034	0.034	0.000	0.000	0.000	0.000
795	D	96	THR	0	0.013	0.004	82.163	0.004	0.004	0.000	0.000	0.000	0.000
796	D	97	GLY	0	0.068	0.035	80.963	-0.013	-0.013	0.000	0.000	0.000	0.000
797	D	98	ARG	1	0.900	0.969	81.784	3.863	3.863	0.000	0.000	0.000	0.000
798	D	99	LEU	0	0.035	0.010	85.147	0.031	0.031	0.000	0.000	0.000	0.000
799	D	100	TRP	0	-0.018	-0.004	88.036	0.046	0.046	0.000	0.000	0.000	0.000
800	D	100	PHE	0	-0.028	-0.029	86.946	0.036	0.036	0.000	0.000	0.000	0.000
801	D	101	SER	0	0.003	0.021	88.315	-0.037	-0.037	0.000	0.000	0.000	0.000
802	D	102	TYR	0	-0.034	-0.014	88.910	0.067	0.067	0.000	0.000	0.000	0.000
803	D	103	TRP	0	0.033	0.007	89.506	-0.035	-0.035	0.000	0.000	0.000	0.000
804	D	104	GLY	0	0.029	0.016	91.066	0.028	0.028	0.000	0.000	0.000	0.000
805	D	105	GLN	0	-0.064	-0.014	92.477	0.018	0.018	0.000	0.000	0.000	0.000
806	D	106	GLY	0	0.046	0.028	93.898	0.027	0.027	0.000	0.000	0.000	0.000
807	D	107	THR	0	0.024	0.010	91.681	0.023	0.023	0.000	0.000	0.000	0.000
808	D	108	LEU	0	-0.011	0.005	94.140	-0.019	-0.019	0.000	0.000	0.000	0.000
809	D	109	VAL	0	0.042	0.034	91.373	-0.002	-0.002	0.000	0.000	0.000	0.000
810	D	110	THR	0	0.010	0.002	94.670	0.005	0.005	0.000	0.000	0.000	0.000
811	D	111	VAL	0	0.003	0.020	92.628	-0.011	-0.011	0.000	0.000	0.000	0.000
812	D	112	SER	0	-0.003	-0.017	95.454	0.029	0.029	0.000	0.000	0.000	0.000
813	D	113	ALA	0	0.011	0.003	97.425	-0.021	-0.021	0.000	0.000	0.000	0.000
814	D	114	ALA	0	0.018	0.012	98.729	0.007	0.007	0.000	0.000	0.000	0.000
815	D	115	LYS	1	0.936	0.968	100.739	3.103	3.103	0.000	0.000	0.000	0.000
816	D	116	THR	0	-0.027	-0.019	101.026	0.026	0.026	0.000	0.000	0.000	0.000
817	D	117	THR	0	-0.029	-0.007	103.820	-0.003	-0.003	0.000	0.000	0.000	0.000
818	D	118	PRO	0	0.008	0.005	107.579	-0.007	-0.007	0.000	0.000	0.000	0.000
819	D	119	PRO	0	0.028	0.038	109.485	0.011	0.011	0.000	0.000	0.000	0.000
820	D	120	SER	0	-0.009	-0.003	112.048	0.005	0.005	0.000	0.000	0.000	0.000
821	D	121	VAL	0	-0.003	0.001	114.945	0.002	0.002	0.000	0.000	0.000	0.000
822	D	122	TYR	0	-0.025	-0.016	117.341	0.016	0.016	0.000	0.000	0.000	0.000
823	D	123	PRO	0	-0.006	-0.010	121.003	-0.014	-0.014	0.000	0.000	0.000	0.000
824	D	124	LEU	0	-0.015	-0.008	122.325	0.016	0.016	0.000	0.000	0.000	0.000
825	D	125	ALA	0	0.041	0.014	124.768	-0.004	-0.004	0.000	0.000	0.000	0.000
826	D	126	PRO	0	-0.016	-0.006	128.063	0.003	0.003	0.000	0.000	0.000	0.000
827	D	127	GLY	0	0.043	0.017	131.155	0.005	0.005	0.000	0.000	0.000	0.000
828	D	128	SER	0	0.009	-0.019	134.335	0.009	0.009	0.000	0.000	0.000	0.000
829	D	129	ALA	0	-0.016	0.001	137.101	0.002	0.002	0.000	0.000	0.000	0.000
830	D	130	ALA	0	0.041	0.033	134.700	-0.019	-0.019	0.000	0.000	0.000	0.000
831	D	131	GLN	0	0.063	0.020	136.059	-0.007	-0.007	0.000	0.000	0.000	0.000
832	D	132	THR	0	-0.045	-0.012	133.143	0.009	0.009	0.000	0.000	0.000	0.000
833	D	133	ASN	0	-0.124	-0.027	133.520	-0.021	-0.021	0.000	0.000	0.000	0.000
834	D	134	SER	0	0.029	0.044	131.793	0.011	0.011	0.000	0.000	0.000	0.000
835	D	135	MET	0	-0.003	-0.042	127.012	-0.006	-0.006	0.000	0.000	0.000	0.000
836	D	136	VAL	0	-0.019	0.014	128.295	0.003	0.003	0.000	0.000	0.000	0.000
837	D	137	THR	0	0.021	0.001	124.007	-0.018	-0.018	0.000	0.000	0.000	0.000
838	D	138	LEU	0	-0.063	-0.026	124.362	0.019	0.019	0.000	0.000	0.000	0.000
839	D	139	GLY	0	0.090	0.026	121.224	-0.020	-0.020	0.000	0.000	0.000	0.000
840	D	195	CYS	0	-0.120	-0.032	117.417	0.006	0.006	0.000	0.000	0.000	0.000
841	D	141	LEU	0	-0.007	0.003	117.522	-0.016	-0.016	0.000	0.000	0.000	0.000
842	D	142	VAL	0	0.020	0.017	112.113	0.009	0.009	0.000	0.000	0.000	0.000
843	D	143	LYS	1	0.833	0.896	114.169	2.762	2.762	0.000	0.000	0.000	0.000
844	D	144	GLY	0	0.040	0.011	111.975	0.004	0.004	0.000	0.000	0.000	0.000
845	D	145	TYR	0	0.010	0.011	106.791	-0.002	-0.002	0.000	0.000	0.000	0.000
846	D	146	PHE	0	0.001	0.031	100.996	-0.011	-0.011	0.000	0.000	0.000	0.000
847	D	147	PRO	0	0.010	0.002	100.309	0.004	0.004	0.000	0.000	0.000	0.000
848	D	148	GLU	-1	-0.836	-0.907	102.332	-3.067	-3.067	0.000	0.000	0.000	0.000
849	D	149	PRO	0	0.006	-0.012	101.297	-0.035	-0.035	0.000	0.000	0.000	0.000
850	D	150	VAL	0	0.008	-0.013	104.349	0.002	0.002	0.000	0.000	0.000	0.000
851	D	151	THR	0	-0.023	-0.021	105.719	0.000	0.000	0.000	0.000	0.000	0.000
852	D	152	VAL	0	0.006	-0.001	108.783	0.018	0.018	0.000	0.000	0.000	0.000
853	D	153	THR	0	0.016	0.020	111.485	-0.016	-0.016	0.000	0.000	0.000	0.000
854	D	154	TRP	0	-0.001	0.031	114.011	0.031	0.031	0.000	0.000	0.000	0.000
855	D	155	ASN	0	-0.023	-0.025	117.221	-0.009	-0.009	0.000	0.000	0.000	0.000
856	D	156	SER	0	0.040	0.012	114.250	0.000	0.000	0.000	0.000	0.000	0.000
857	D	157	GLY	0	0.031	0.021	113.409	-0.023	-0.023	0.000	0.000	0.000	0.000
858	D	158	SER	0	-0.061	-0.020	114.101	-0.009	-0.009	0.000	0.000	0.000	0.000
859	D	159	LEU	0	-0.036	-0.025	117.533	0.007	0.007	0.000	0.000	0.000	0.000
860	D	160	SER	0	-0.016	0.001	114.028	-0.005	-0.005	0.000	0.000	0.000	0.000
861	D	161	SER	0	0.028	-0.004	115.583	-0.020	-0.020	0.000	0.000	0.000	0.000
862	D	162	GLY	0	0.017	0.019	117.772	-0.010	-0.010	0.000	0.000	0.000	0.000
863	D	163	VAL	0	-0.026	-0.022	115.586	0.020	0.020	0.000	0.000	0.000	0.000
864	D	164	HIS	0	-0.043	-0.022	116.004	-0.005	-0.005	0.000	0.000	0.000	0.000
865	D	165	THR	0	0.019	-0.001	111.542	0.025	0.025	0.000	0.000	0.000	0.000
866	D	166	PHE	0	-0.066	-0.002	112.563	-0.017	-0.017	0.000	0.000	0.000	0.000
867	D	167	PRO	0	0.028	0.023	108.838	-0.011	-0.011	0.000	0.000	0.000	0.000
868	D	168	ALA	0	0.021	0.008	108.694	0.031	0.031	0.000	0.000	0.000	0.000
869	D	169	VAL	0	0.001	0.011	109.350	-0.017	-0.017	0.000	0.000	0.000	0.000
870	D	170	LEU	0	-0.070	-0.028	104.880	0.003	0.003	0.000	0.000	0.000	0.000
871	D	171	GLN	0	-0.032	-0.019	109.045	0.013	0.013	0.000	0.000	0.000	0.000
872	D	172	SER	0	0.017	-0.025	109.233	-0.027	-0.027	0.000	0.000	0.000	0.000
873	D	173	ASP	-1	-0.910	-0.952	104.809	-3.092	-3.092	0.000	0.000	0.000	0.000
874	D	174	LEU	0	-0.023	0.000	106.888	-0.005	-0.005	0.000	0.000	0.000	0.000
875	D	175	TYR	0	0.024	0.018	104.090	0.003	0.003	0.000	0.000	0.000	0.000
876	D	176	THR	0	-0.026	-0.022	109.704	0.019	0.019	0.000	0.000	0.000	0.000
877	D	177	LEU	0	-0.010	0.024	110.395	-0.007	-0.007	0.000	0.000	0.000	0.000
878	D	178	SER	0	0.008	-0.017	113.647	0.016	0.016	0.000	0.000	0.000	0.000
879	D	179	SER	0	0.021	0.016	115.102	-0.012	-0.012	0.000	0.000	0.000	0.000
880	D	180	SER	0	0.014	0.003	116.974	0.015	0.015	0.000	0.000	0.000	0.000
881	D	181	VAL	0	0.034	0.012	119.088	-0.021	-0.021	0.000	0.000	0.000	0.000
882	D	182	THR	0	0.008	0.011	121.408	0.023	0.023	0.000	0.000	0.000	0.000
883	D	183	VAL	0	-0.031	-0.004	123.781	-0.017	-0.017	0.000	0.000	0.000	0.000
884	D	184	PRO	0	0.026	-0.003	126.167	0.018	0.018	0.000	0.000	0.000	0.000
885	D	185	SER	0	0.050	-0.030	129.467	-0.005	-0.005	0.000	0.000	0.000	0.000
886	D	186	SER	0	0.018	0.015	132.319	0.007	0.007	0.000	0.000	0.000	0.000
887	D	187	PRO	0	-0.002	0.007	128.315	0.007	0.007	0.000	0.000	0.000	0.000
888	D	188	ARG	1	0.883	0.928	128.243	2.510	2.510	0.000	0.000	0.000	0.000
889	D	189	PRO	0	0.001	-0.014	130.244	-0.005	-0.005	0.000	0.000	0.000	0.000
890	D	190	SER	0	-0.026	0.012	132.435	0.012	0.012	0.000	0.000	0.000	0.000
891	D	191	GLU	-1	-0.826	-0.889	128.582	-2.488	-2.488	0.000	0.000	0.000	0.000
892	D	192	THR	0	-0.074	-0.058	124.615	-0.007	-0.007	0.000	0.000	0.000	0.000
893	D	193	VAL	0	-0.027	-0.004	122.881	-0.002	-0.002	0.000	0.000	0.000	0.000
894	D	194	THR	0	0.019	-0.005	119.178	0.024	0.024	0.000	0.000	0.000	0.000
895	D	196	ASN	0	-0.006	-0.030	113.654	-0.001	-0.001	0.000	0.000	0.000	0.000
896	D	197	VAL	0	0.031	0.012	111.746	-0.021	-0.021	0.000	0.000	0.000	0.000
897	D	198	ALA	0	0.003	0.002	107.850	0.003	0.003	0.000	0.000	0.000	0.000
898	D	199	HIS	0	-0.007	-0.011	105.084	0.003	0.003	0.000	0.000	0.000	0.000
899	D	200	PRO	0	0.025	-0.003	102.169	-0.001	-0.001	0.000	0.000	0.000	0.000
900	D	201	ALA	0	0.020	0.023	101.330	-0.014	-0.014	0.000	0.000	0.000	0.000
901	D	202	SER	0	-0.008	-0.006	102.208	-0.017	-0.017	0.000	0.000	0.000	0.000
902	D	203	SER	0	-0.038	-0.017	103.254	0.014	0.014	0.000	0.000	0.000	0.000
903	D	204	THR	0	0.005	0.010	105.473	0.021	0.021	0.000	0.000	0.000	0.000
904	D	205	LYS	1	0.950	0.964	106.018	3.045	3.045	0.000	0.000	0.000	0.000
905	D	206	VAL	0	-0.033	-0.006	111.194	0.023	0.023	0.000	0.000	0.000	0.000
906	D	207	ASP	-1	-0.808	-0.906	114.808	-2.855	-2.855	0.000	0.000	0.000	0.000
907	D	208	LYS	1	0.887	0.948	117.326	2.733	2.733	0.000	0.000	0.000	0.000
908	D	209	LYS	1	0.951	0.989	120.469	2.653	2.653	0.000	0.000	0.000	0.000
909	D	210	ILE	0	-0.023	-0.017	121.983	0.008	0.008	0.000	0.000	0.000	0.000
910	D	211	VAL	0	-0.044	-0.011	125.490	0.010	0.010	0.000	0.000	0.000	0.000
911	D	212	PRO	-1	-0.901	-0.950	128.990	-2.494	-2.494	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:9:SER)