FMO DATABASE

FMODB ID: ZNN9N

Calculation Name: 4WO8-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4WO8

Chain ID: A

ChEMBL ID:

UniProt ID: P16641

Base Structure: X-ray

Registration Date: 2023-09-27

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	706
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16361356.328071
FMO2-HF: Nuclear repulsion	16081949.114506
FMO2-HF: Total energy	-279407.213565
FMO2-MP2: Total energy	-280218.068517

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:1:MET)

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

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.
-12.759	-8.954	17.669	-3.196	-18.275	-0.041

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.025 / q_NPA : 0.010

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	3	VAL	0	-0.002	0.008	2.280	-3.111	-0.804	1.743	-1.187	-2.863	-0.001
4	A	4	GLU	-1	-0.790	-0.886	4.754	-0.268	-0.141	-0.001	-0.017	-0.108	0.000
5	A	5	SER	0	0.011	-0.006	8.188	-0.012	-0.012	0.000	0.000	0.000	0.000
6	A	6	LEU	0	0.072	0.020	10.428	-0.058	-0.058	0.000	0.000	0.000	0.000
7	A	7	GLN	0	0.009	0.007	11.308	0.009	0.009	0.000	0.000	0.000	0.000
8	A	8	ASN	0	-0.005	0.002	11.385	0.080	0.080	0.000	0.000	0.000	0.000
9	A	9	LEU	0	-0.010	0.008	6.734	0.022	0.022	0.000	0.000	0.000	0.000
10	A	10	GLN	0	-0.013	-0.005	10.912	0.018	0.018	0.000	0.000	0.000	0.000
11	A	11	VAL	0	0.023	0.013	14.136	0.021	0.021	0.000	0.000	0.000	0.000
12	A	12	LYS	1	0.832	0.897	10.365	0.785	0.785	0.000	0.000	0.000	0.000
13	A	13	ILE	0	-0.034	-0.012	10.525	0.029	0.029	0.000	0.000	0.000	0.000
14	A	14	ARG	1	0.808	0.857	14.495	0.242	0.242	0.000	0.000	0.000	0.000
15	A	15	ASN	0	-0.019	-0.006	17.809	0.034	0.034	0.000	0.000	0.000	0.000
16	A	16	ASP	-1	-0.757	-0.835	16.024	-0.371	-0.371	0.000	0.000	0.000	0.000
17	A	17	GLU	-1	-0.911	-0.962	18.362	-0.180	-0.180	0.000	0.000	0.000	0.000
18	A	18	ARG	1	0.815	0.869	15.850	0.393	0.393	0.000	0.000	0.000	0.000
19	A	19	ASN	0	-0.012	0.025	13.408	0.042	0.042	0.000	0.000	0.000	0.000
20	A	20	HIS	0	0.010	0.006	17.516	0.027	0.027	0.000	0.000	0.000	0.000
21	A	21	SER	0	-0.042	-0.020	14.595	0.022	0.022	0.000	0.000	0.000	0.000
22	A	22	LEU	0	0.015	-0.016	16.574	0.013	0.013	0.000	0.000	0.000	0.000
23	A	23	THR	0	-0.011	-0.031	11.424	0.046	0.046	0.000	0.000	0.000	0.000
24	A	24	LYS	1	0.845	0.936	14.607	0.271	0.271	0.000	0.000	0.000	0.000
25	A	25	LYS	1	0.763	0.887	16.659	0.128	0.128	0.000	0.000	0.000	0.000
26	A	26	TYR	0	-0.003	-0.043	17.934	0.015	0.015	0.000	0.000	0.000	0.000
27	A	27	LEU	0	-0.029	0.006	12.743	0.015	0.015	0.000	0.000	0.000	0.000
28	A	28	THR	0	-0.003	-0.022	16.797	-0.020	-0.020	0.000	0.000	0.000	0.000
29	A	29	ASP	-1	-0.754	-0.869	18.932	-0.178	-0.178	0.000	0.000	0.000	0.000
30	A	30	ASP	-1	-0.875	-0.920	20.592	-0.100	-0.100	0.000	0.000	0.000	0.000
31	A	31	ILE	0	-0.010	0.006	16.363	0.010	0.010	0.000	0.000	0.000	0.000
32	A	32	VAL	0	-0.004	-0.011	15.088	0.001	0.001	0.000	0.000	0.000	0.000
33	A	33	LYS	1	0.941	0.966	17.032	0.079	0.079	0.000	0.000	0.000	0.000
34	A	34	LYS	1	0.788	0.893	19.747	0.051	0.051	0.000	0.000	0.000	0.000
35	A	35	TYR	0	0.032	-0.001	14.680	0.013	0.013	0.000	0.000	0.000	0.000
36	A	36	GLN	0	-0.033	0.003	14.072	-0.024	-0.024	0.000	0.000	0.000	0.000
37	A	37	ALA	0	-0.012	-0.008	13.638	-0.017	-0.017	0.000	0.000	0.000	0.000
38	A	38	THR	0	-0.041	-0.019	13.984	0.021	0.021	0.000	0.000	0.000	0.000
39	A	39	LYS	1	0.899	0.954	8.958	0.031	0.031	0.000	0.000	0.000	0.000
40	A	40	THR	0	-0.015	-0.034	10.206	0.000	0.000	0.000	0.000	0.000	0.000
41	A	41	SER	0	0.006	0.003	11.734	-0.006	-0.006	0.000	0.000	0.000	0.000
42	A	42	LEU	0	-0.016	-0.011	9.766	0.020	0.020	0.000	0.000	0.000	0.000
43	A	43	GLY	0	0.008	0.008	7.857	-0.040	-0.040	0.000	0.000	0.000	0.000
44	A	44	GLY	0	-0.010	-0.012	6.341	-0.151	-0.151	0.000	0.000	0.000	0.000
45	A	45	THR	0	0.014	-0.008	6.176	0.071	0.071	0.000	0.000	0.000	0.000
46	A	46	LEU	0	0.085	0.028	7.999	0.189	0.189	0.000	0.000	0.000	0.000
47	A	47	ALA	0	0.024	0.004	7.539	0.022	0.022	0.000	0.000	0.000	0.000
48	A	48	GLN	0	0.009	-0.014	2.573	-0.859	1.276	0.745	-0.865	-2.015	-0.003
49	A	49	CYS	0	-0.079	0.003	4.530	-0.089	0.170	0.001	-0.021	-0.238	0.000
50	A	50	VAL	0	0.023	-0.001	7.229	-0.192	-0.192	0.000	0.000	0.000	0.000
51	A	51	ASN	0	0.011	-0.004	3.005	-0.246	0.503	0.237	-0.296	-0.690	-0.002
52	A	52	THR	0	-0.010	-0.026	4.994	0.088	0.088	0.000	0.000	0.000	0.000
53	A	53	ASN	0	0.001	-0.013	6.054	0.263	0.263	0.000	0.000	0.000	0.000
54	A	54	ALA	0	-0.024	-0.012	8.368	0.138	0.138	0.000	0.000	0.000	0.000
55	A	55	TYR	0	-0.012	0.008	6.303	0.266	0.266	0.000	0.000	0.000	0.000
56	A	56	ASN	0	-0.056	-0.018	8.158	0.262	0.262	0.000	0.000	0.000	0.000
57	A	57	PRO	0	0.014	0.009	11.377	0.033	0.033	0.000	0.000	0.000	0.000
58	A	58	GLY	0	0.007	0.006	14.402	0.046	0.046	0.000	0.000	0.000	0.000
59	A	59	ALA	0	-0.038	-0.010	11.569	0.047	0.047	0.000	0.000	0.000	0.000
60	A	60	LEU	0	0.018	0.004	13.521	-0.006	-0.006	0.000	0.000	0.000	0.000
61	A	61	LEU	0	-0.004	-0.007	13.377	0.014	0.014	0.000	0.000	0.000	0.000
62	A	62	PRO	0	0.013	0.043	9.679	-0.078	-0.078	0.000	0.000	0.000	0.000
63	A	63	ARG	1	0.820	0.912	6.743	0.148	0.148	0.000	0.000	0.000	0.000
64	A	64	SER	0	0.010	-0.020	8.750	-0.025	-0.025	0.000	0.000	0.000	0.000
65	A	65	CYS	0	-0.053	-0.003	6.236	0.150	0.150	0.000	0.000	0.000	0.000
66	A	66	ASP	-1	-0.692	-0.818	7.250	0.108	0.108	0.000	0.000	0.000	0.000
67	A	67	LEU	0	0.067	0.029	10.135	-0.034	-0.034	0.000	0.000	0.000	0.000
68	A	68	ASN	0	-0.016	-0.024	13.151	-0.038	-0.038	0.000	0.000	0.000	0.000
69	A	69	ALA	0	-0.001	0.003	10.978	-0.033	-0.033	0.000	0.000	0.000	0.000
70	A	70	TYR	0	-0.028	-0.034	12.979	-0.053	-0.053	0.000	0.000	0.000	0.000
71	A	71	GLU	-1	-0.801	-0.878	16.299	0.006	0.006	0.000	0.000	0.000	0.000
72	A	72	THR	0	-0.039	-0.025	13.952	-0.013	-0.013	0.000	0.000	0.000	0.000
73	A	73	PHE	0	-0.038	-0.040	10.680	-0.019	-0.019	0.000	0.000	0.000	0.000
74	A	74	ARG	1	0.838	0.906	16.076	-0.017	-0.017	0.000	0.000	0.000	0.000
75	A	75	ASP	-1	-0.802	-0.882	19.352	-0.046	-0.046	0.000	0.000	0.000	0.000
76	A	76	PHE	0	-0.033	-0.009	12.398	-0.015	-0.015	0.000	0.000	0.000	0.000
77	A	77	PHE	0	0.018	-0.012	11.231	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	78	ASP	-1	-0.762	-0.859	17.088	-0.006	-0.006	0.000	0.000	0.000	0.000
79	A	79	ALA	0	0.031	0.026	20.232	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	80	VAL	0	-0.011	-0.004	15.349	-0.006	-0.006	0.000	0.000	0.000	0.000
81	A	81	ILE	0	-0.030	-0.020	17.489	0.000	0.000	0.000	0.000	0.000	0.000
82	A	82	ALA	0	0.005	-0.010	20.043	0.001	0.001	0.000	0.000	0.000	0.000
83	A	83	ASP	-1	-0.808	-0.846	21.289	-0.098	-0.098	0.000	0.000	0.000	0.000
84	A	84	TYR	0	0.011	-0.009	19.104	-0.004	-0.004	0.000	0.000	0.000	0.000
85	A	85	HIS	0	-0.104	-0.068	19.484	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	86	LYS	1	0.832	0.925	23.805	0.068	0.068	0.000	0.000	0.000	0.000
87	A	87	VAL	0	-0.004	0.003	25.262	0.005	0.005	0.000	0.000	0.000	0.000
88	A	88	PRO	0	-0.031	-0.023	27.846	-0.003	-0.003	0.000	0.000	0.000	0.000
89	A	89	ASP	-1	-0.889	-0.948	31.373	-0.030	-0.030	0.000	0.000	0.000	0.000
90	A	90	GLY	0	0.029	0.019	27.111	0.001	0.001	0.000	0.000	0.000	0.000
91	A	91	LYS	1	0.870	0.946	27.742	0.020	0.020	0.000	0.000	0.000	0.000
92	A	92	ILE	0	-0.046	-0.016	22.721	0.002	0.002	0.000	0.000	0.000	0.000
93	A	93	GLN	0	-0.013	-0.007	26.780	0.002	0.002	0.000	0.000	0.000	0.000
94	A	94	HIS	0	0.049	0.033	26.216	-0.006	-0.006	0.000	0.000	0.000	0.000
95	A	95	PRO	0	-0.002	0.024	28.355	0.003	0.003	0.000	0.000	0.000	0.000
96	A	96	LYS	1	0.862	0.889	29.820	-0.028	-0.028	0.000	0.000	0.000	0.000
97	A	97	SER	0	-0.053	-0.038	28.748	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	98	ASN	0	0.027	-0.008	30.575	0.001	0.001	0.000	0.000	0.000	0.000
99	A	99	PHE	0	0.033	0.012	28.271	-0.003	-0.003	0.000	0.000	0.000	0.000
100	A	100	GLY	0	0.057	0.040	33.931	-0.003	-0.003	0.000	0.000	0.000	0.000
101	A	101	ASP	-1	-0.806	-0.872	37.638	0.015	0.015	0.000	0.000	0.000	0.000
102	A	102	LEU	0	0.045	0.014	35.748	-0.002	-0.002	0.000	0.000	0.000	0.000
103	A	103	LYS	1	0.866	0.912	39.918	-0.017	-0.017	0.000	0.000	0.000	0.000
104	A	104	SER	0	-0.041	-0.030	43.513	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	105	LEU	0	-0.026	0.015	37.418	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	106	SER	0	-0.021	-0.023	42.001	0.000	0.000	0.000	0.000	0.000	0.000
107	A	107	PHE	0	0.020	0.017	36.857	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	108	THR	0	0.022	-0.013	41.297	0.001	0.001	0.000	0.000	0.000	0.000
109	A	109	ASP	-1	-0.788	-0.898	41.159	-0.007	-0.007	0.000	0.000	0.000	0.000
110	A	110	LEU	0	0.019	0.002	36.335	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	111	ASN	0	-0.038	-0.021	40.023	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	112	THR	0	-0.043	-0.034	42.286	0.000	0.000	0.000	0.000	0.000	0.000
113	A	113	TYR	0	-0.022	0.003	41.903	0.000	0.000	0.000	0.000	0.000	0.000
114	A	114	GLY	0	0.061	0.018	43.253	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	115	ASN	0	-0.071	-0.016	43.288	0.000	0.000	0.000	0.000	0.000	0.000
116	A	116	LEU	0	0.040	0.022	39.806	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	117	VAL	0	-0.027	-0.011	35.620	-0.003	-0.003	0.000	0.000	0.000	0.000
118	A	118	VAL	0	-0.023	-0.012	34.645	0.002	0.002	0.000	0.000	0.000	0.000
119	A	119	SER	0	0.021	-0.001	32.204	0.003	0.003	0.000	0.000	0.000	0.000
120	A	120	THR	0	0.002	0.004	32.512	-0.003	-0.003	0.000	0.000	0.000	0.000
121	A	121	ARG	1	0.926	0.965	22.225	0.007	0.007	0.000	0.000	0.000	0.000
122	A	122	VAL	0	-0.001	0.006	27.927	-0.003	-0.003	0.000	0.000	0.000	0.000
123	A	123	ARG	1	0.888	0.944	19.350	-0.011	-0.011	0.000	0.000	0.000	0.000
124	A	124	LEU	0	0.015	0.012	23.390	-0.005	-0.005	0.000	0.000	0.000	0.000
125	A	125	GLY	0	0.007	0.001	19.435	0.003	0.003	0.000	0.000	0.000	0.000
126	A	126	ARG	1	0.876	0.955	19.421	-0.069	-0.069	0.000	0.000	0.000	0.000
127	A	127	THR	0	0.014	-0.013	15.188	0.030	0.030	0.000	0.000	0.000	0.000
128	A	128	VAL	0	-0.015	-0.016	16.927	-0.024	-0.024	0.000	0.000	0.000	0.000
129	A	129	GLU	-1	-0.842	-0.927	16.817	0.104	0.104	0.000	0.000	0.000	0.000
130	A	130	GLY	0	0.000	-0.002	16.579	0.000	0.000	0.000	0.000	0.000	0.000
131	A	131	PHE	0	-0.006	0.005	12.885	0.001	0.001	0.000	0.000	0.000	0.000
132	A	132	GLY	0	0.058	0.030	9.327	0.001	0.001	0.000	0.000	0.000	0.000
133	A	133	PHE	0	-0.007	0.010	8.342	-0.009	-0.009	0.000	0.000	0.000	0.000
134	A	134	GLY	0	0.020	0.007	5.911	-0.283	-0.283	0.000	0.000	0.000	0.000
135	A	135	PRO	0	-0.020	-0.026	2.269	-2.052	-1.516	4.841	-1.741	-3.636	-0.001
136	A	136	THR	0	-0.028	-0.028	2.891	-5.296	-4.673	0.546	0.255	-1.424	-0.012
137	A	137	LEU	0	-0.059	0.006	5.419	0.187	0.187	0.000	0.000	0.000	0.000
138	A	138	THR	0	0.057	0.038	5.321	-0.321	-0.321	0.000	0.000	0.000	0.000
139	A	139	LYS	1	0.966	0.970	7.491	-0.362	-0.362	0.000	0.000	0.000	0.000
140	A	140	GLU	-1	-0.919	-0.962	9.761	0.311	0.311	0.000	0.000	0.000	0.000
141	A	141	THR	0	0.055	0.029	10.050	-0.040	-0.040	0.000	0.000	0.000	0.000
142	A	142	ARG	1	0.822	0.915	6.445	-0.416	-0.416	0.000	0.000	0.000	0.000
143	A	143	ILE	0	0.029	0.010	12.025	-0.016	-0.016	0.000	0.000	0.000	0.000
144	A	144	GLU	-1	-0.918	-0.956	14.997	0.177	0.177	0.000	0.000	0.000	0.000
145	A	145	LEU	0	-0.061	-0.027	13.263	-0.018	-0.018	0.000	0.000	0.000	0.000
146	A	146	GLU	-1	-0.828	-0.899	16.019	0.140	0.140	0.000	0.000	0.000	0.000
147	A	147	ASN	0	0.008	0.009	17.776	-0.025	-0.025	0.000	0.000	0.000	0.000
148	A	148	LYS	1	0.925	0.984	19.547	-0.138	-0.138	0.000	0.000	0.000	0.000
149	A	149	ILE	0	0.000	-0.007	17.701	-0.012	-0.012	0.000	0.000	0.000	0.000
150	A	150	SER	0	0.010	-0.001	21.684	-0.013	-0.013	0.000	0.000	0.000	0.000
151	A	151	THR	0	-0.011	-0.007	23.643	-0.011	-0.011	0.000	0.000	0.000	0.000
152	A	152	ALA	0	-0.014	-0.011	24.861	-0.007	-0.007	0.000	0.000	0.000	0.000
153	A	153	LEU	0	-0.033	-0.029	23.350	-0.006	-0.006	0.000	0.000	0.000	0.000
154	A	154	HIS	0	-0.024	-0.003	27.234	-0.005	-0.005	0.000	0.000	0.000	0.000
155	A	155	ASN	0	-0.088	-0.050	29.381	-0.007	-0.007	0.000	0.000	0.000	0.000
156	A	156	LEU	0	-0.054	-0.008	28.620	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	157	SER	0	0.035	0.021	32.227	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	158	GLY	0	0.041	0.019	35.274	0.000	0.000	0.000	0.000	0.000	0.000
159	A	159	GLU	-1	-0.913	-0.944	36.670	0.020	0.020	0.000	0.000	0.000	0.000
160	A	160	TYR	0	-0.057	-0.047	31.722	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	161	GLU	-1	-0.762	-0.860	32.195	0.037	0.037	0.000	0.000	0.000	0.000
162	A	162	GLY	0	-0.008	-0.019	31.879	-0.004	-0.004	0.000	0.000	0.000	0.000
163	A	163	THR	0	-0.029	0.007	29.064	0.002	0.002	0.000	0.000	0.000	0.000
164	A	164	TYR	0	-0.038	-0.065	19.901	-0.004	-0.004	0.000	0.000	0.000	0.000
165	A	165	TYR	0	-0.012	-0.017	24.687	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	166	PRO	0	0.043	0.035	20.977	0.002	0.002	0.000	0.000	0.000	0.000
167	A	167	LEU	0	0.007	-0.008	16.755	-0.009	-0.009	0.000	0.000	0.000	0.000
168	A	168	THR	0	-0.046	-0.029	17.469	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	169	GLY	0	0.015	0.006	19.752	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	170	MET	0	-0.041	0.008	22.631	-0.010	-0.010	0.000	0.000	0.000	0.000
171	A	171	SER	0	0.014	0.010	24.475	-0.005	-0.005	0.000	0.000	0.000	0.000
172	A	172	GLU	-1	-0.827	-0.928	24.606	-0.005	-0.005	0.000	0.000	0.000	0.000
173	A	173	GLU	-1	-0.904	-0.952	26.091	0.007	0.007	0.000	0.000	0.000	0.000
174	A	174	ASP	-1	-0.838	-0.919	27.421	0.024	0.024	0.000	0.000	0.000	0.000
175	A	175	ARG	1	0.848	0.904	20.925	-0.008	-0.008	0.000	0.000	0.000	0.000
176	A	176	ILE	0	-0.003	0.000	24.689	-0.006	-0.006	0.000	0.000	0.000	0.000
177	A	177	LYS	1	0.917	0.963	26.610	-0.022	-0.022	0.000	0.000	0.000	0.000
178	A	178	LEU	0	-0.009	-0.012	25.308	-0.002	-0.002	0.000	0.000	0.000	0.000
179	A	179	VAL	0	-0.013	-0.009	22.043	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	180	ASN	0	-0.013	0.002	24.703	-0.010	-0.010	0.000	0.000	0.000	0.000
181	A	181	ASP	-1	-0.896	-0.941	28.152	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	182	HIS	0	-0.091	-0.040	25.064	0.000	0.000	0.000	0.000	0.000	0.000
183	A	183	PHE	0	-0.007	-0.023	24.983	0.003	0.003	0.000	0.000	0.000	0.000
184	A	184	LEU	0	-0.016	0.008	20.537	0.011	0.011	0.000	0.000	0.000	0.000
185	A	185	PHE	0	0.023	0.024	14.937	-0.014	-0.014	0.000	0.000	0.000	0.000
186	A	186	ARG	1	0.880	0.911	16.488	0.084	0.084	0.000	0.000	0.000	0.000
187	A	187	ASN	0	-0.004	-0.004	11.584	0.005	0.005	0.000	0.000	0.000	0.000
188	A	188	ASP	-1	-0.831	-0.925	12.839	-0.166	-0.166	0.000	0.000	0.000	0.000
189	A	189	ASP	-1	-0.780	-0.885	11.291	-0.375	-0.375	0.000	0.000	0.000	0.000
190	A	190	ASN	0	-0.043	-0.043	9.120	0.006	0.006	0.000	0.000	0.000	0.000
191	A	191	VAL	0	0.005	0.011	7.873	-0.247	-0.247	0.000	0.000	0.000	0.000
192	A	192	LEU	0	0.010	0.026	6.636	-0.293	-0.293	0.000	0.000	0.000	0.000
193	A	193	ARG	1	0.859	0.928	5.876	0.739	0.739	0.000	0.000	0.000	0.000
194	A	194	ASP	-1	-0.823	-0.894	3.776	-2.499	-2.076	0.009	-0.137	-0.295	0.000
195	A	195	ALA	0	-0.054	-0.020	2.453	-4.781	-3.702	1.822	-1.157	-1.744	-0.017
196	A	196	GLY	0	0.049	0.000	2.869	2.626	2.294	5.558	-2.652	-2.573	0.000
197	A	197	GLY	0	-0.006	-0.005	3.533	3.440	-1.144	0.054	5.037	-0.507	-0.003
198	A	198	TYR	0	0.002	0.014	6.289	-0.186	-0.186	0.000	0.000	0.000	0.000
199	A	199	ILE	0	0.011	0.011	2.442	-1.242	-0.759	2.114	-0.415	-2.182	-0.002
200	A	200	ASP	-1	-0.774	-0.882	6.726	0.486	0.486	0.000	0.000	0.000	0.000
201	A	201	TRP	0	0.000	0.041	9.722	-0.025	-0.025	0.000	0.000	0.000	0.000
202	A	202	PRO	0	-0.009	-0.016	12.150	-0.007	-0.007	0.000	0.000	0.000	0.000
203	A	203	THR	0	-0.033	-0.049	12.491	0.006	0.006	0.000	0.000	0.000	0.000
204	A	204	GLY	0	0.068	0.022	12.900	0.032	0.032	0.000	0.000	0.000	0.000
205	A	205	ARG	1	0.780	0.895	8.662	-0.388	-0.388	0.000	0.000	0.000	0.000
206	A	206	GLY	0	0.096	0.042	16.071	-0.013	-0.013	0.000	0.000	0.000	0.000
207	A	207	ILE	0	-0.059	-0.015	19.658	0.004	0.004	0.000	0.000	0.000	0.000
208	A	208	PHE	0	0.015	0.014	22.488	0.000	0.000	0.000	0.000	0.000	0.000
209	A	209	ILE	0	-0.021	-0.003	25.629	-0.004	-0.004	0.000	0.000	0.000	0.000
210	A	210	ASN	0	0.019	-0.002	28.901	0.000	0.000	0.000	0.000	0.000	0.000
211	A	211	LYS	1	0.872	0.904	32.199	-0.033	-0.033	0.000	0.000	0.000	0.000
212	A	212	GLN	0	-0.101	-0.051	35.503	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	213	LYS	1	0.850	0.942	32.058	-0.014	-0.014	0.000	0.000	0.000	0.000
214	A	214	ASN	0	-0.006	-0.001	32.172	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	215	PHE	0	0.006	-0.014	28.208	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	216	LEU	0	-0.020	0.006	23.959	0.001	0.001	0.000	0.000	0.000	0.000
217	A	217	VAL	0	0.009	-0.002	22.086	0.001	0.001	0.000	0.000	0.000	0.000
218	A	218	TRP	0	-0.108	-0.045	18.034	-0.002	-0.002	0.000	0.000	0.000	0.000
219	A	219	ILE	0	0.023	0.008	16.646	0.008	0.008	0.000	0.000	0.000	0.000
220	A	220	ASN	0	-0.029	-0.038	12.496	0.023	0.023	0.000	0.000	0.000	0.000
221	A	221	GLU	-1	-0.840	-0.904	12.960	0.100	0.100	0.000	0.000	0.000	0.000
222	A	222	GLU	-1	-0.772	-0.887	10.601	0.029	0.029	0.000	0.000	0.000	0.000
223	A	223	ASP	-1	-0.858	-0.918	11.591	0.242	0.242	0.000	0.000	0.000	0.000
224	A	224	HIS	0	0.005	0.000	12.037	-0.038	-0.038	0.000	0.000	0.000	0.000
225	A	225	ILE	0	0.016	0.016	15.524	-0.014	-0.014	0.000	0.000	0.000	0.000
226	A	226	ARG	1	0.704	0.827	14.764	-0.078	-0.078	0.000	0.000	0.000	0.000
227	A	227	VAL	0	0.030	0.021	20.130	-0.003	-0.003	0.000	0.000	0.000	0.000
228	A	228	ILE	0	-0.028	-0.031	21.770	-0.009	-0.009	0.000	0.000	0.000	0.000
229	A	229	SER	0	0.022	0.027	25.781	0.001	0.001	0.000	0.000	0.000	0.000
230	A	230	MET	0	-0.039	-0.042	26.757	-0.005	-0.005	0.000	0.000	0.000	0.000
231	A	231	GLN	0	0.081	0.049	31.014	0.004	0.004	0.000	0.000	0.000	0.000
232	A	232	LYS	1	0.942	0.962	33.063	0.013	0.013	0.000	0.000	0.000	0.000
233	A	233	GLY	0	0.025	0.013	36.479	0.002	0.002	0.000	0.000	0.000	0.000
234	A	234	GLY	0	0.051	0.027	36.613	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	235	GLY	0	0.071	0.051	38.313	0.000	0.000	0.000	0.000	0.000	0.000
236	A	236	LEU	0	-0.015	-0.022	33.234	0.002	0.002	0.000	0.000	0.000	0.000
237	A	237	THR	0	0.025	0.019	35.801	0.002	0.002	0.000	0.000	0.000	0.000
238	A	238	ALA	0	0.034	0.012	37.420	0.002	0.002	0.000	0.000	0.000	0.000
239	A	239	VAL	0	-0.038	0.002	31.754	0.002	0.002	0.000	0.000	0.000	0.000
240	A	240	TYR	0	0.016	-0.015	31.519	0.004	0.004	0.000	0.000	0.000	0.000
241	A	241	LYS	1	0.864	0.928	33.226	-0.007	-0.007	0.000	0.000	0.000	0.000
242	A	242	ARG	1	0.895	0.975	32.882	-0.013	-0.013	0.000	0.000	0.000	0.000
243	A	243	LEU	0	-0.025	-0.013	26.737	0.004	0.004	0.000	0.000	0.000	0.000
244	A	244	ALA	0	-0.024	-0.015	30.499	0.005	0.005	0.000	0.000	0.000	0.000
245	A	245	ASP	-1	-0.875	-0.957	32.281	0.028	0.028	0.000	0.000	0.000	0.000
246	A	246	ALA	0	0.030	0.036	29.830	0.003	0.003	0.000	0.000	0.000	0.000
247	A	247	ILE	0	-0.024	-0.013	24.760	0.006	0.006	0.000	0.000	0.000	0.000
248	A	248	GLN	0	0.014	0.036	28.784	0.005	0.005	0.000	0.000	0.000	0.000
249	A	249	GLU	-1	-0.860	-0.950	31.532	0.042	0.042	0.000	0.000	0.000	0.000
250	A	250	LEU	0	0.017	-0.005	25.128	0.004	0.004	0.000	0.000	0.000	0.000
251	A	251	SER	0	-0.076	-0.062	26.940	0.006	0.006	0.000	0.000	0.000	0.000
252	A	252	LYS	1	0.833	0.930	28.005	-0.041	-0.041	0.000	0.000	0.000	0.000
253	A	253	SER	0	-0.005	0.010	27.366	0.001	0.001	0.000	0.000	0.000	0.000
254	A	254	LEU	0	-0.069	-0.031	22.079	0.008	0.008	0.000	0.000	0.000	0.000
255	A	255	LYS	1	0.848	0.921	22.796	-0.087	-0.087	0.000	0.000	0.000	0.000
256	A	256	PHE	0	0.020	0.001	21.305	0.011	0.011	0.000	0.000	0.000	0.000
257	A	257	ALA	0	0.004	0.003	18.792	-0.008	-0.008	0.000	0.000	0.000	0.000
258	A	258	PHE	0	-0.006	-0.013	20.754	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	259	ASN	0	0.013	0.005	21.082	-0.007	-0.007	0.000	0.000	0.000	0.000
260	A	260	ASP	-1	-0.774	-0.878	24.530	0.028	0.028	0.000	0.000	0.000	0.000
261	A	261	ARG	1	0.768	0.872	20.261	-0.022	-0.022	0.000	0.000	0.000	0.000
262	A	262	LEU	0	0.015	-0.012	19.024	-0.006	-0.006	0.000	0.000	0.000	0.000
263	A	263	GLY	0	0.051	0.028	22.404	0.000	0.000	0.000	0.000	0.000	0.000
264	A	264	PHE	0	-0.067	-0.030	21.401	0.007	0.007	0.000	0.000	0.000	0.000
265	A	265	ILE	0	-0.018	-0.001	15.578	-0.003	-0.003	0.000	0.000	0.000	0.000
266	A	266	THR	0	0.010	0.023	15.678	0.004	0.004	0.000	0.000	0.000	0.000
267	A	267	PHE	0	0.052	0.036	6.097	-0.077	-0.077	0.000	0.000	0.000	0.000
268	A	268	CYS	0	-0.024	-0.001	11.199	-0.024	-0.024	0.000	0.000	0.000	0.000
269	A	269	PRO	0	0.103	0.041	12.416	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	270	SER	0	0.001	0.006	15.547	0.004	0.004	0.000	0.000	0.000	0.000
271	A	271	ASN	0	-0.080	-0.037	15.678	-0.015	-0.015	0.000	0.000	0.000	0.000
272	A	272	LEU	0	0.084	0.062	17.095	0.011	0.011	0.000	0.000	0.000	0.000
273	A	273	GLY	0	0.048	0.014	19.911	-0.011	-0.011	0.000	0.000	0.000	0.000
274	A	274	THR	0	-0.024	-0.022	23.607	0.007	0.007	0.000	0.000	0.000	0.000
275	A	275	THR	0	-0.092	-0.039	20.551	0.008	0.008	0.000	0.000	0.000	0.000
276	A	276	LEU	0	-0.008	-0.002	22.119	0.000	0.000	0.000	0.000	0.000	0.000
277	A	277	ARG	1	0.767	0.851	22.174	0.022	0.022	0.000	0.000	0.000	0.000
278	A	278	ALA	0	0.020	0.011	25.091	0.003	0.003	0.000	0.000	0.000	0.000
279	A	279	SER	0	-0.016	-0.034	27.426	-0.005	-0.005	0.000	0.000	0.000	0.000
280	A	280	VAL	0	0.010	0.008	29.450	0.004	0.004	0.000	0.000	0.000	0.000
281	A	281	HIS	0	-0.026	0.008	27.400	-0.002	-0.002	0.000	0.000	0.000	0.000
282	A	282	ALA	0	0.010	-0.007	32.218	0.003	0.003	0.000	0.000	0.000	0.000
283	A	283	LYS	1	0.902	0.952	35.052	0.020	0.020	0.000	0.000	0.000	0.000
284	A	284	ILE	0	0.017	0.011	34.411	0.002	0.002	0.000	0.000	0.000	0.000
285	A	285	PRO	0	0.050	0.017	37.936	-0.003	-0.003	0.000	0.000	0.000	0.000
286	A	286	MET	0	-0.019	0.017	38.942	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	287	LEU	0	0.031	0.016	37.286	-0.002	-0.002	0.000	0.000	0.000	0.000
288	A	288	ALA	0	-0.053	-0.038	34.849	-0.002	-0.002	0.000	0.000	0.000	0.000
289	A	289	SER	0	-0.100	-0.049	35.963	-0.004	-0.004	0.000	0.000	0.000	0.000
290	A	290	LEU	0	-0.011	0.000	38.609	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	291	PRO	0	-0.002	-0.010	37.578	-0.003	-0.003	0.000	0.000	0.000	0.000
292	A	292	ASN	0	-0.036	-0.004	36.428	-0.003	-0.003	0.000	0.000	0.000	0.000
293	A	293	PHE	0	0.063	0.048	32.061	0.001	0.001	0.000	0.000	0.000	0.000
294	A	294	LYS	1	0.976	0.980	27.646	0.082	0.082	0.000	0.000	0.000	0.000
295	A	295	GLU	-1	-0.788	-0.891	32.428	-0.059	-0.059	0.000	0.000	0.000	0.000
296	A	296	ILE	0	-0.036	-0.015	34.493	0.003	0.003	0.000	0.000	0.000	0.000
297	A	297	CYS	0	-0.024	0.007	32.148	0.003	0.003	0.000	0.000	0.000	0.000
298	A	298	GLU	-1	-0.760	-0.864	29.635	-0.049	-0.049	0.000	0.000	0.000	0.000
299	A	299	LYS	1	0.875	0.954	32.341	0.043	0.043	0.000	0.000	0.000	0.000
300	A	300	HIS	0	-0.058	-0.022	35.437	0.005	0.005	0.000	0.000	0.000	0.000
301	A	301	GLY	0	0.011	0.001	32.371	0.003	0.003	0.000	0.000	0.000	0.000
302	A	302	ILE	0	-0.040	-0.012	30.820	0.002	0.002	0.000	0.000	0.000	0.000
303	A	303	GLN	0	-0.073	-0.045	24.648	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	304	PRO	0	0.012	0.000	28.139	0.002	0.002	0.000	0.000	0.000	0.000
305	A	305	ARG	1	0.853	0.916	21.946	0.053	0.053	0.000	0.000	0.000	0.000
306	A	306	GLY	0	0.037	0.013	26.600	0.007	0.007	0.000	0.000	0.000	0.000
307	A	307	THR	0	-0.006	-0.002	26.539	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	308	HIS	0	0.023	0.005	27.456	0.007	0.007	0.000	0.000	0.000	0.000
309	A	309	GLY	0	0.036	0.023	26.746	-0.006	-0.006	0.000	0.000	0.000	0.000
310	A	310	GLU	-1	-0.888	-0.946	26.442	-0.051	-0.051	0.000	0.000	0.000	0.000
311	A	311	HIS	1	0.786	0.867	29.395	0.053	0.053	0.000	0.000	0.000	0.000
312	A	312	THR	0	0.050	0.026	33.023	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	313	GLU	-1	-0.876	-0.936	35.526	-0.059	-0.059	0.000	0.000	0.000	0.000
314	A	314	SER	0	-0.024	-0.013	36.781	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	315	VAL	0	-0.060	-0.014	36.187	0.003	0.003	0.000	0.000	0.000	0.000
316	A	316	GLY	0	0.066	0.030	35.372	-0.004	-0.004	0.000	0.000	0.000	0.000
317	A	317	GLY	0	-0.022	-0.028	35.319	0.003	0.003	0.000	0.000	0.000	0.000
318	A	318	ILE	0	-0.007	0.005	32.480	0.003	0.003	0.000	0.000	0.000	0.000
319	A	319	TYR	0	-0.018	0.005	30.110	-0.008	-0.008	0.000	0.000	0.000	0.000
320	A	320	ASP	-1	-0.753	-0.832	26.227	-0.035	-0.035	0.000	0.000	0.000	0.000
321	A	321	LEU	0	-0.030	-0.008	28.898	-0.005	-0.005	0.000	0.000	0.000	0.000
322	A	322	SER	0	0.010	0.001	26.450	0.003	0.003	0.000	0.000	0.000	0.000
323	A	323	ASN	0	0.077	0.055	26.904	-0.005	-0.005	0.000	0.000	0.000	0.000
324	A	324	LYS	1	0.770	0.881	26.620	0.037	0.037	0.000	0.000	0.000	0.000
325	A	325	ARG	1	0.937	0.985	25.707	0.021	0.021	0.000	0.000	0.000	0.000
326	A	326	ARG	1	0.852	0.928	21.913	0.020	0.020	0.000	0.000	0.000	0.000
327	A	327	LEU	0	0.042	0.040	22.332	0.008	0.008	0.000	0.000	0.000	0.000
328	A	328	GLY	0	0.011	0.007	25.399	-0.005	-0.005	0.000	0.000	0.000	0.000
329	A	329	LEU	0	-0.095	-0.046	28.357	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	330	THR	0	0.009	-0.028	29.390	0.004	0.004	0.000	0.000	0.000	0.000
331	A	331	GLU	-1	-0.757	-0.886	28.247	0.024	0.024	0.000	0.000	0.000	0.000
332	A	332	LEU	0	0.030	0.024	30.595	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	333	ASP	-1	-0.797	-0.861	32.735	-0.001	-0.001	0.000	0.000	0.000	0.000
334	A	334	ALA	0	-0.030	-0.006	28.970	-0.004	-0.004	0.000	0.000	0.000	0.000
335	A	335	VAL	0	-0.016	-0.012	31.026	-0.004	-0.004	0.000	0.000	0.000	0.000
336	A	336	THR	0	0.014	-0.008	32.646	-0.002	-0.002	0.000	0.000	0.000	0.000
337	A	337	GLU	-1	-0.862	-0.936	30.546	-0.025	-0.025	0.000	0.000	0.000	0.000
338	A	338	MET	0	-0.045	-0.020	31.113	-0.002	-0.002	0.000	0.000	0.000	0.000
339	A	339	HIS	0	-0.003	-0.012	33.069	-0.002	-0.002	0.000	0.000	0.000	0.000
340	A	340	SER	0	-0.017	-0.018	36.469	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	341	GLY	0	0.027	0.013	35.635	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	342	VAL	0	-0.017	-0.023	33.609	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	343	ARG	1	0.844	0.916	36.426	0.012	0.012	0.000	0.000	0.000	0.000
344	A	344	ALA	0	0.025	0.021	39.660	0.000	0.000	0.000	0.000	0.000	0.000
345	A	345	LEU	0	-0.031	-0.017	34.867	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	346	LEU	0	-0.020	-0.016	37.793	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	347	GLU	-1	-0.819	-0.905	40.604	-0.015	-0.015	0.000	0.000	0.000	0.000
348	A	348	LEU	0	-0.027	-0.011	40.842	0.000	0.000	0.000	0.000	0.000	0.000
349	A	349	GLU	-1	-0.739	-0.864	40.653	-0.034	-0.034	0.000	0.000	0.000	0.000
350	A	350	VAL	0	-0.022	-0.006	42.743	0.000	0.000	0.000	0.000	0.000	0.000
351	A	351	MET	0	-0.025	-0.016	45.975	0.000	0.000	0.000	0.000	0.000	0.000
352	A	352	LEU	0	-0.041	-0.010	42.590	0.000	0.000	0.000	0.000	0.000	0.000
353	A	353	GLN	0	-0.006	-0.023	43.283	0.000	0.000	0.000	0.000	0.000	0.000
354	A	354	GLU	-1	-0.835	-0.888	47.579	-0.018	-0.018	0.000	0.000	0.000	0.000
355	A	355	TYR	0	-0.089	-0.064	50.070	0.000	0.000	0.000	0.000	0.000	0.000
356	A	356	ASN	0	-0.069	-0.057	47.929	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	357	LYS	1	0.840	0.914	50.764	0.018	0.018	0.000	0.000	0.000	0.000
358	A	358	GLY	0	-0.001	0.000	52.351	0.001	0.001	0.000	0.000	0.000	0.000
359	A	359	ALA	0	-0.049	-0.007	51.023	0.000	0.000	0.000	0.000	0.000	0.000
360	A	360	PRO	0	0.011	-0.005	52.012	0.000	0.000	0.000	0.000	0.000	0.000
361	A	361	GLU	-1	-0.869	-0.933	47.490	-0.036	-0.036	0.000	0.000	0.000	0.000
362	A	362	GLY	0	-0.043	-0.024	46.007	0.000	0.000	0.000	0.000	0.000	0.000
363	A	363	VAL	0	-0.043	-0.025	46.751	-0.002	-0.002	0.000	0.000	0.000	0.000
364	A	364	MET	0	-0.087	-0.013	43.726	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	365	PRO	0	0.054	0.046	43.914	0.002	0.002	0.000	0.000	0.000	0.000
366	A	366	VAL	0	-0.045	-0.037	45.907	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	367	GLU	-1	-0.682	-0.796	43.517	-0.033	-0.033	0.000	0.000	0.000	0.000
368	A	368	PRO	0	0.053	0.013	47.469	0.000	0.000	0.000	0.000	0.000	0.000
369	A	369	LEU	0	0.032	0.024	50.548	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	370	THR	0	0.005	-0.005	52.752	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	371	TYR	0	0.022	0.016	43.020	0.000	0.000	0.000	0.000	0.000	0.000
372	A	372	LEU	0	-0.001	-0.008	46.367	0.000	0.000	0.000	0.000	0.000	0.000
373	A	373	ALA	0	0.013	0.001	49.212	0.000	0.000	0.000	0.000	0.000	0.000
374	A	374	LYS	1	0.854	0.930	48.842	0.018	0.018	0.000	0.000	0.000	0.000
375	A	375	LEU	0	-0.011	-0.003	44.203	0.000	0.000	0.000	0.000	0.000	0.000
376	A	376	LEU	0	-0.026	-0.011	47.587	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	GLU	-1	-0.867	-0.925	50.186	-0.018	-0.018	0.000	0.000	0.000	0.000
378	A	378	GLY	0	0.002	0.015	47.946	0.001	0.001	0.000	0.000	0.000	0.000
379	A	379	ALA	0	-0.048	-0.017	49.008	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	380	SER	0	-0.053	-0.054	50.840	0.001	0.001	0.000	0.000	0.000	0.000
381	A	381	ILE	0	0.033	0.008	53.873	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	382	GLU	-1	-0.840	-0.895	56.817	-0.020	-0.020	0.000	0.000	0.000	0.000
383	A	383	LYS	1	0.902	0.947	52.855	0.025	0.025	0.000	0.000	0.000	0.000
384	A	384	CYS	0	-0.086	-0.016	52.005	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	385	TYR	0	0.055	0.021	54.981	0.000	0.000	0.000	0.000	0.000	0.000
386	A	386	THR	0	0.001	-0.006	52.251	0.001	0.001	0.000	0.000	0.000	0.000
387	A	387	ARG	1	0.936	0.967	53.577	0.021	0.021	0.000	0.000	0.000	0.000
388	A	388	LYS	1	0.854	0.928	55.783	0.021	0.021	0.000	0.000	0.000	0.000
389	A	389	TYR	0	-0.021	-0.046	59.217	0.001	0.001	0.000	0.000	0.000	0.000
390	A	390	LEU	0	-0.048	-0.016	54.949	0.000	0.000	0.000	0.000	0.000	0.000
391	A	391	THR	0	0.000	-0.026	59.037	0.000	0.000	0.000	0.000	0.000	0.000
392	A	392	PRO	0	0.055	0.011	61.201	0.000	0.000	0.000	0.000	0.000	0.000
393	A	393	GLU	-1	-0.839	-0.897	62.328	-0.015	-0.015	0.000	0.000	0.000	0.000
394	A	394	ILE	0	-0.028	-0.005	60.324	0.000	0.000	0.000	0.000	0.000	0.000
395	A	395	ILE	0	0.006	-0.004	57.190	0.000	0.000	0.000	0.000	0.000	0.000
396	A	396	LYS	1	0.931	0.966	60.133	0.014	0.014	0.000	0.000	0.000	0.000
397	A	397	LYS	1	0.792	0.893	62.794	0.017	0.017	0.000	0.000	0.000	0.000
398	A	398	TYR	0	-0.051	-0.071	60.328	0.000	0.000	0.000	0.000	0.000	0.000
399	A	399	ASP	-1	-0.802	-0.881	56.394	-0.021	-0.021	0.000	0.000	0.000	0.000
400	A	400	GLY	0	-0.017	0.004	57.350	0.001	0.001	0.000	0.000	0.000	0.000
401	A	401	LYS	1	0.848	0.934	58.663	0.020	0.020	0.000	0.000	0.000	0.000
402	A	402	ARG	1	0.853	0.914	51.532	0.025	0.025	0.000	0.000	0.000	0.000
403	A	403	THR	0	-0.091	-0.075	58.369	0.001	0.001	0.000	0.000	0.000	0.000
404	A	404	THR	0	-0.020	-0.027	59.505	0.000	0.000	0.000	0.000	0.000	0.000
405	A	405	HIS	0	-0.069	-0.048	57.205	0.000	0.000	0.000	0.000	0.000	0.000
406	A	406	GLY	0	0.024	0.014	55.025	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	407	ALA	0	-0.015	-0.013	54.117	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	408	THR	0	0.044	0.004	52.792	0.001	0.001	0.000	0.000	0.000	0.000
409	A	409	LEU	0	0.035	0.005	54.670	-0.001	-0.001	0.000	0.000	0.000	0.000
410	A	410	ALA	0	0.030	0.013	51.188	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	411	HIS	0	0.004	-0.008	48.960	0.000	0.000	0.000	0.000	0.000	0.000
412	A	412	MET	0	-0.039	0.006	50.103	-0.001	-0.001	0.000	0.000	0.000	0.000
413	A	413	ILE	0	0.005	0.001	50.996	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	414	ARG	1	0.777	0.860	41.360	0.038	0.038	0.000	0.000	0.000	0.000
415	A	415	ASN	0	-0.024	-0.017	45.748	0.000	0.000	0.000	0.000	0.000	0.000
416	A	416	GLY	0	0.023	0.005	46.091	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	417	ALA	0	-0.011	-0.004	47.079	0.001	0.001	0.000	0.000	0.000	0.000
418	A	418	TYR	0	-0.022	-0.046	41.574	0.000	0.000	0.000	0.000	0.000	0.000
419	A	419	ASN	0	-0.059	-0.023	41.960	-0.003	-0.003	0.000	0.000	0.000	0.000
420	A	420	ASN	0	0.011	0.007	44.536	0.001	0.001	0.000	0.000	0.000	0.000
421	A	421	ARG	1	0.959	0.968	44.337	0.036	0.036	0.000	0.000	0.000	0.000
422	A	422	SER	0	-0.045	-0.010	47.291	0.000	0.000	0.000	0.000	0.000	0.000
423	A	423	ILE	0	0.017	-0.003	48.981	0.001	0.001	0.000	0.000	0.000	0.000
424	A	424	CYS	0	-0.023	-0.009	52.127	0.002	0.002	0.000	0.000	0.000	0.000
425	A	425	PRO	0	0.063	0.047	51.880	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	426	ARG	1	0.786	0.869	49.125	0.035	0.035	0.000	0.000	0.000	0.000
427	A	427	THR	0	0.000	-0.024	52.168	0.000	0.000	0.000	0.000	0.000	0.000
428	A	428	GLY	0	0.060	0.018	52.863	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	429	GLU	-1	-0.742	-0.853	53.884	-0.027	-0.027	0.000	0.000	0.000	0.000
430	A	430	ALA	0	0.049	0.020	56.952	0.001	0.001	0.000	0.000	0.000	0.000
431	A	431	GLU	-1	-0.717	-0.819	60.347	-0.022	-0.022	0.000	0.000	0.000	0.000
432	A	432	CYS	0	-0.006	0.017	57.566	0.001	0.001	0.000	0.000	0.000	0.000
433	A	433	TYR	0	-0.006	-0.020	57.930	0.001	0.001	0.000	0.000	0.000	0.000
434	A	434	SER	0	-0.033	-0.013	62.779	0.001	0.001	0.000	0.000	0.000	0.000
435	A	435	THR	0	-0.051	-0.048	61.429	0.001	0.001	0.000	0.000	0.000	0.000
436	A	436	PHE	0	-0.005	-0.010	58.143	0.000	0.000	0.000	0.000	0.000	0.000
437	A	437	ILE	0	0.040	0.028	62.565	0.000	0.000	0.000	0.000	0.000	0.000
438	A	438	ASP	-1	-0.777	-0.842	65.289	-0.017	-0.017	0.000	0.000	0.000	0.000
439	A	439	TYR	0	-0.044	-0.034	56.404	0.000	0.000	0.000	0.000	0.000	0.000
440	A	440	LEU	0	-0.017	-0.031	58.223	0.000	0.000	0.000	0.000	0.000	0.000
441	A	441	ASP	-1	-0.777	-0.808	62.069	-0.019	-0.019	0.000	0.000	0.000	0.000
442	A	442	PRO	0	0.027	0.022	64.413	0.000	0.000	0.000	0.000	0.000	0.000
443	A	443	LEU	0	0.005	0.008	57.666	0.000	0.000	0.000	0.000	0.000	0.000
444	A	444	ILE	0	-0.047	-0.029	61.905	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	445	CYS	0	-0.041	-0.017	63.338	0.000	0.000	0.000	0.000	0.000	0.000
446	A	446	ASP	-1	-0.764	-0.836	63.059	-0.020	-0.020	0.000	0.000	0.000	0.000
447	A	447	TYR	0	-0.034	-0.025	56.288	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	448	HIS	0	-0.110	-0.075	61.094	0.000	0.000	0.000	0.000	0.000	0.000
449	A	449	GLY	0	-0.020	0.018	64.353	0.000	0.000	0.000	0.000	0.000	0.000
450	A	450	VAL	0	-0.054	-0.026	67.252	0.001	0.001	0.000	0.000	0.000	0.000
451	A	451	LYS	1	0.946	0.956	69.659	0.016	0.016	0.000	0.000	0.000	0.000
452	A	452	ASH	0	-0.040	-0.064	70.187	0.000	0.000	0.000	0.000	0.000	0.000
453	A	453	SER	0	0.003	0.006	72.922	0.001	0.001	0.000	0.000	0.000	0.000
454	A	454	ALA	0	0.007	0.002	75.319	0.000	0.000	0.000	0.000	0.000	0.000
455	A	455	PHE	0	-0.040	-0.016	77.041	0.000	0.000	0.000	0.000	0.000	0.000
456	A	456	LYS	1	0.850	0.914	74.409	0.018	0.018	0.000	0.000	0.000	0.000
457	A	457	HIS	0	-0.023	-0.020	68.550	0.000	0.000	0.000	0.000	0.000	0.000
458	A	458	PRO	0	-0.019	0.002	72.053	0.000	0.000	0.000	0.000	0.000	0.000
459	A	459	ALA	0	0.047	0.022	71.657	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	460	PRO	0	0.005	-0.004	68.463	0.000	0.000	0.000	0.000	0.000	0.000
461	A	461	THR	0	-0.036	-0.009	70.349	0.001	0.001	0.000	0.000	0.000	0.000
462	A	462	PHE	0	0.021	-0.006	66.509	0.000	0.000	0.000	0.000	0.000	0.000
463	A	463	GLY	0	0.068	0.042	70.418	0.000	0.000	0.000	0.000	0.000	0.000
464	A	464	ASP	-1	-0.820	-0.880	73.480	-0.021	-0.021	0.000	0.000	0.000	0.000
465	A	465	LEU	0	-0.007	-0.030	69.056	0.000	0.000	0.000	0.000	0.000	0.000
466	A	466	SER	0	-0.091	-0.051	72.209	0.000	0.000	0.000	0.000	0.000	0.000
467	A	467	LYS	1	0.931	0.969	74.827	0.019	0.019	0.000	0.000	0.000	0.000
468	A	468	LEU	0	-0.012	0.005	69.615	0.000	0.000	0.000	0.000	0.000	0.000
469	A	469	PRO	0	-0.021	-0.005	72.630	0.000	0.000	0.000	0.000	0.000	0.000
470	A	470	PHE	0	0.035	0.004	67.982	0.000	0.000	0.000	0.000	0.000	0.000
471	A	471	GLY	0	0.049	0.011	70.546	0.000	0.000	0.000	0.000	0.000	0.000
472	A	472	ASP	-1	-0.889	-0.954	66.419	-0.028	-0.028	0.000	0.000	0.000	0.000
473	A	473	LEU	0	-0.019	-0.014	64.939	0.001	0.001	0.000	0.000	0.000	0.000
474	A	474	ASP	-1	-0.707	-0.877	63.573	-0.028	-0.028	0.000	0.000	0.000	0.000
475	A	475	PRO	0	0.011	0.012	66.015	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	476	THR	0	-0.074	-0.023	67.070	0.000	0.000	0.000	0.000	0.000	0.000
477	A	477	GLY	0	0.060	0.022	64.901	0.000	0.000	0.000	0.000	0.000	0.000
478	A	478	LYS	1	0.750	0.879	57.940	0.032	0.032	0.000	0.000	0.000	0.000
479	A	479	PHE	0	-0.043	0.009	61.733	0.000	0.000	0.000	0.000	0.000	0.000
480	A	480	ILE	0	-0.003	0.017	59.860	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	481	VAL	0	-0.035	-0.027	53.819	0.000	0.000	0.000	0.000	0.000	0.000
482	A	482	SER	0	0.033	0.014	54.998	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	483	THR	0	0.031	0.024	57.309	0.001	0.001	0.000	0.000	0.000	0.000
484	A	484	ARG	1	0.907	0.956	51.279	0.039	0.039	0.000	0.000	0.000	0.000
485	A	485	VAL	0	0.004	0.007	57.823	0.001	0.001	0.000	0.000	0.000	0.000
486	A	486	ARG	1	0.838	0.917	54.390	0.033	0.033	0.000	0.000	0.000	0.000
487	A	487	VAL	0	0.003	-0.003	57.771	0.001	0.001	0.000	0.000	0.000	0.000
488	A	488	GLY	0	0.031	0.035	56.074	-0.002	-0.002	0.000	0.000	0.000	0.000
489	A	489	ARG	1	0.834	0.916	56.445	0.030	0.030	0.000	0.000	0.000	0.000
490	A	490	SER	0	0.026	-0.008	56.479	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	491	VAL	0	-0.004	-0.009	56.991	0.001	0.001	0.000	0.000	0.000	0.000
492	A	492	GLU	-1	-0.856	-0.941	58.851	-0.024	-0.024	0.000	0.000	0.000	0.000
493	A	493	GLY	0	0.002	-0.001	60.409	0.000	0.000	0.000	0.000	0.000	0.000
494	A	494	PHE	0	-0.031	-0.008	54.362	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	495	LEU	0	0.042	0.027	52.660	0.000	0.000	0.000	0.000	0.000	0.000
496	A	496	PHE	0	-0.003	0.009	52.736	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	497	PRO	0	0.042	-0.005	47.989	0.000	0.000	0.000	0.000	0.000	0.000
498	A	498	THR	0	0.022	0.012	47.199	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	499	ILE	0	0.037	0.016	46.966	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	500	MET	0	-0.058	0.011	48.772	0.000	0.000	0.000	0.000	0.000	0.000
501	A	501	SER	0	0.065	0.026	47.495	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	502	LYS	1	0.915	0.931	40.813	0.053	0.053	0.000	0.000	0.000	0.000
503	A	503	THR	0	0.053	0.009	46.066	-0.002	-0.002	0.000	0.000	0.000	0.000
504	A	504	ASP	-1	-0.810	-0.871	48.969	-0.034	-0.034	0.000	0.000	0.000	0.000
505	A	505	ARG	1	0.861	0.930	44.821	0.047	0.047	0.000	0.000	0.000	0.000
506	A	506	ILE	0	0.011	0.012	45.418	0.000	0.000	0.000	0.000	0.000	0.000
507	A	507	LYS	1	0.985	1.000	49.005	0.032	0.032	0.000	0.000	0.000	0.000
508	A	508	LEU	0	-0.002	-0.006	51.345	0.001	0.001	0.000	0.000	0.000	0.000
509	A	509	GLU	-1	-0.828	-0.889	47.171	-0.050	-0.050	0.000	0.000	0.000	0.000
510	A	510	GLN	0	-0.029	-0.008	50.996	0.001	0.001	0.000	0.000	0.000	0.000
511	A	511	VAL	0	-0.007	0.005	53.358	0.001	0.001	0.000	0.000	0.000	0.000
512	A	512	ILE	0	0.018	-0.005	53.215	0.001	0.001	0.000	0.000	0.000	0.000
513	A	513	SER	0	-0.035	-0.023	51.478	0.000	0.000	0.000	0.000	0.000	0.000
514	A	514	GLY	0	0.008	0.008	53.559	0.000	0.000	0.000	0.000	0.000	0.000
515	A	515	ALA	0	0.019	0.009	56.542	0.001	0.001	0.000	0.000	0.000	0.000
516	A	516	LEU	0	-0.055	-0.043	53.148	0.000	0.000	0.000	0.000	0.000	0.000
517	A	517	LYS	1	0.890	0.942	50.933	0.043	0.043	0.000	0.000	0.000	0.000
518	A	518	GLY	0	0.017	0.027	56.195	0.000	0.000	0.000	0.000	0.000	0.000
519	A	519	LEU	0	-0.070	-0.018	57.586	0.001	0.001	0.000	0.000	0.000	0.000
520	A	520	THR	0	0.054	0.020	60.145	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	521	GLY	0	0.029	0.009	62.708	0.000	0.000	0.000	0.000	0.000	0.000
522	A	522	GLU	-1	-0.841	-0.930	61.671	-0.032	-0.032	0.000	0.000	0.000	0.000
523	A	523	HIS	1	0.779	0.883	59.491	0.030	0.030	0.000	0.000	0.000	0.000
524	A	524	ALA	0	0.035	0.040	58.256	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	525	GLY	0	0.014	-0.015	54.794	0.000	0.000	0.000	0.000	0.000	0.000
526	A	526	THR	0	-0.027	0.017	49.145	0.001	0.001	0.000	0.000	0.000	0.000
527	A	527	TYR	0	-0.079	-0.085	48.084	0.000	0.000	0.000	0.000	0.000	0.000
528	A	528	TYR	0	-0.001	-0.022	44.703	0.000	0.000	0.000	0.000	0.000	0.000
529	A	529	PRO	0	0.038	0.031	44.550	0.000	0.000	0.000	0.000	0.000	0.000
530	A	530	LEU	0	-0.015	-0.035	40.180	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	531	THR	0	-0.073	-0.028	39.616	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	532	ASP	-1	-0.927	-0.947	39.433	-0.070	-0.070	0.000	0.000	0.000	0.000
533	A	533	MET	0	-0.055	-0.001	39.520	0.002	0.002	0.000	0.000	0.000	0.000
534	A	534	LYS	1	0.887	0.916	39.258	0.063	0.063	0.000	0.000	0.000	0.000
535	A	535	GLU	-1	-0.850	-0.937	34.068	-0.099	-0.099	0.000	0.000	0.000	0.000
536	A	536	GLU	-1	-0.874	-0.923	37.503	-0.070	-0.070	0.000	0.000	0.000	0.000
537	A	537	ASP	-1	-0.841	-0.929	39.774	-0.064	-0.064	0.000	0.000	0.000	0.000
538	A	538	ARG	1	0.894	0.933	35.917	0.090	0.090	0.000	0.000	0.000	0.000
539	A	539	LYS	1	0.904	0.948	35.178	0.089	0.089	0.000	0.000	0.000	0.000
540	A	540	GLN	0	-0.004	0.003	38.533	0.001	0.001	0.000	0.000	0.000	0.000
541	A	541	LEU	0	0.034	0.003	41.975	0.003	0.003	0.000	0.000	0.000	0.000
542	A	542	VAL	0	-0.009	0.001	37.487	0.003	0.003	0.000	0.000	0.000	0.000
543	A	543	GLU	-1	-0.869	-0.913	39.621	-0.073	-0.073	0.000	0.000	0.000	0.000
544	A	544	ASP	-1	-0.810	-0.886	41.923	-0.054	-0.054	0.000	0.000	0.000	0.000
545	A	545	HIS	0	-0.119	-0.060	41.876	0.003	0.003	0.000	0.000	0.000	0.000
546	A	546	PHE	0	-0.047	-0.041	44.286	0.003	0.003	0.000	0.000	0.000	0.000
547	A	547	LEU	0	-0.007	-0.004	38.405	0.002	0.002	0.000	0.000	0.000	0.000
548	A	548	PHE	0	-0.008	0.008	42.245	0.000	0.000	0.000	0.000	0.000	0.000
549	A	549	LYS	1	0.875	0.907	36.869	0.066	0.066	0.000	0.000	0.000	0.000
550	A	550	ASN	0	-0.017	-0.016	34.787	0.002	0.002	0.000	0.000	0.000	0.000
551	A	551	ASP	-1	-0.834	-0.918	36.338	-0.069	-0.069	0.000	0.000	0.000	0.000
552	A	552	ASP	-1	-0.757	-0.873	37.702	-0.046	-0.046	0.000	0.000	0.000	0.000
553	A	553	PRO	0	-0.021	-0.012	38.603	0.001	0.001	0.000	0.000	0.000	0.000
554	A	554	VAL	0	-0.010	-0.004	40.271	0.002	0.002	0.000	0.000	0.000	0.000
555	A	555	LEU	0	0.000	0.003	43.672	0.002	0.002	0.000	0.000	0.000	0.000
556	A	556	ARG	1	0.799	0.867	35.464	0.057	0.057	0.000	0.000	0.000	0.000
557	A	557	ASP	-1	-0.817	-0.897	40.257	-0.046	-0.046	0.000	0.000	0.000	0.000
558	A	558	ALA	0	-0.009	0.000	42.702	0.002	0.002	0.000	0.000	0.000	0.000
559	A	559	GLY	0	0.029	0.002	43.513	0.001	0.001	0.000	0.000	0.000	0.000
560	A	560	GLY	0	-0.002	-0.004	44.175	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	561	TYR	0	-0.007	0.012	39.305	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	562	ARG	1	0.804	0.906	39.715	0.040	0.040	0.000	0.000	0.000	0.000
563	A	563	ASP	-1	-0.838	-0.921	39.685	-0.051	-0.051	0.000	0.000	0.000	0.000
564	A	564	TRP	0	-0.006	0.030	36.023	0.003	0.003	0.000	0.000	0.000	0.000
565	A	565	PRO	0	0.020	0.004	37.366	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	566	VAL	0	0.050	-0.005	40.172	0.002	0.002	0.000	0.000	0.000	0.000
567	A	567	GLY	0	0.018	0.011	42.809	0.002	0.002	0.000	0.000	0.000	0.000
568	A	568	ARG	1	0.744	0.878	42.533	0.055	0.055	0.000	0.000	0.000	0.000
569	A	569	GLY	0	0.071	0.027	44.843	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	570	ILE	0	-0.070	-0.008	44.283	0.002	0.002	0.000	0.000	0.000	0.000
571	A	571	PHE	0	0.035	0.027	47.705	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	572	HIS	1	0.888	0.941	47.702	0.050	0.050	0.000	0.000	0.000	0.000
573	A	573	ASN	0	0.056	0.016	52.355	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	574	ASN	0	0.042	0.013	53.558	-0.003	-0.003	0.000	0.000	0.000	0.000
575	A	575	SER	0	-0.013	-0.008	53.747	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	576	LYS	1	0.799	0.908	47.408	0.053	0.053	0.000	0.000	0.000	0.000
577	A	577	THR	0	0.004	0.003	53.285	0.000	0.000	0.000	0.000	0.000	0.000
578	A	578	PHE	0	-0.016	-0.012	55.514	0.002	0.002	0.000	0.000	0.000	0.000
579	A	579	LEU	0	-0.003	0.003	48.888	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	580	VAL	0	-0.015	-0.016	52.194	0.002	0.002	0.000	0.000	0.000	0.000
581	A	581	TRP	0	-0.072	-0.019	46.354	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	582	VAL	0	0.007	-0.008	48.809	0.002	0.002	0.000	0.000	0.000	0.000
583	A	583	CYS	0	-0.013	-0.020	47.429	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	584	GLU	-1	-0.795	-0.882	45.654	-0.047	-0.047	0.000	0.000	0.000	0.000
585	A	585	GLU	-1	-0.828	-0.891	46.939	-0.038	-0.038	0.000	0.000	0.000	0.000
586	A	586	ASP	-1	-0.856	-0.943	49.107	-0.033	-0.033	0.000	0.000	0.000	0.000
587	A	587	HIS	0	0.006	-0.019	51.201	-0.001	-0.001	0.000	0.000	0.000	0.000
588	A	588	MET	0	-0.009	0.008	52.379	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	589	ARG	1	0.777	0.896	49.742	0.041	0.041	0.000	0.000	0.000	0.000
590	A	590	ILE	0	0.008	0.009	53.516	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	591	ILE	0	0.002	-0.016	51.780	0.001	0.001	0.000	0.000	0.000	0.000
592	A	592	SER	0	-0.029	-0.004	55.920	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	593	MET	0	0.001	-0.017	51.423	0.000	0.000	0.000	0.000	0.000	0.000
594	A	594	GLN	0	0.065	0.040	56.839	0.000	0.000	0.000	0.000	0.000	0.000
595	A	595	GLN	0	0.039	0.016	53.530	0.001	0.001	0.000	0.000	0.000	0.000
596	A	596	GLY	0	-0.010	-0.011	57.668	0.001	0.001	0.000	0.000	0.000	0.000
597	A	597	GLY	0	0.060	0.025	60.471	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	598	ASN	0	0.003	0.002	63.134	0.001	0.001	0.000	0.000	0.000	0.000
599	A	599	LEU	0	0.032	0.016	63.302	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	600	ALA	0	0.005	0.015	64.981	0.000	0.000	0.000	0.000	0.000	0.000
601	A	601	ALA	0	0.032	0.016	64.986	0.000	0.000	0.000	0.000	0.000	0.000
602	A	602	VAL	0	-0.041	-0.008	60.097	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	603	TYR	0	0.006	-0.026	62.570	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	604	LYS	1	0.924	0.950	64.657	0.026	0.026	0.000	0.000	0.000	0.000
605	A	605	ARG	1	0.811	0.905	59.479	0.033	0.033	0.000	0.000	0.000	0.000
606	A	606	LEU	0	-0.003	-0.002	59.336	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	607	ILE	0	0.011	0.013	62.174	0.000	0.000	0.000	0.000	0.000	0.000
608	A	608	GLU	-1	-0.841	-0.898	65.302	-0.027	-0.027	0.000	0.000	0.000	0.000
609	A	609	GLY	0	0.008	0.004	61.441	0.000	0.000	0.000	0.000	0.000	0.000
610	A	610	ILE	0	-0.021	-0.013	61.144	0.000	0.000	0.000	0.000	0.000	0.000
611	A	611	ASN	0	-0.049	-0.035	62.613	0.001	0.001	0.000	0.000	0.000	0.000
612	A	612	ALA	0	-0.017	0.005	63.137	0.001	0.001	0.000	0.000	0.000	0.000
613	A	613	ILE	0	0.037	0.006	57.895	0.000	0.000	0.000	0.000	0.000	0.000
614	A	614	GLY	0	-0.001	-0.014	61.603	0.000	0.000	0.000	0.000	0.000	0.000
615	A	615	LYS	1	0.840	0.926	64.154	0.026	0.026	0.000	0.000	0.000	0.000
616	A	616	SER	0	0.008	0.008	61.476	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	MET	0	-0.059	-0.013	58.342	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	618	LYS	1	0.900	0.961	62.847	0.024	0.024	0.000	0.000	0.000	0.000
619	A	619	PHE	0	0.002	-0.012	60.216	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	620	ALA	0	-0.005	0.002	61.089	0.001	0.001	0.000	0.000	0.000	0.000
621	A	621	HIS	0	0.006	-0.014	62.896	0.000	0.000	0.000	0.000	0.000	0.000
622	A	622	SER	0	-0.010	-0.001	65.752	0.001	0.001	0.000	0.000	0.000	0.000
623	A	623	ASP	-1	-0.767	-0.873	67.609	-0.019	-0.019	0.000	0.000	0.000	0.000
624	A	624	LYS	1	0.899	0.966	66.739	0.020	0.020	0.000	0.000	0.000	0.000
625	A	625	TYR	0	-0.066	-0.102	64.338	0.000	0.000	0.000	0.000	0.000	0.000
626	A	626	GLY	0	0.073	0.052	65.494	-0.001	-0.001	0.000	0.000	0.000	0.000
627	A	627	TYR	0	-0.063	-0.042	62.240	0.000	0.000	0.000	0.000	0.000	0.000
628	A	628	ILE	0	-0.009	0.000	59.845	0.000	0.000	0.000	0.000	0.000	0.000
629	A	629	THR	0	0.017	0.029	56.319	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	630	CYS	0	-0.013	0.022	52.121	0.001	0.001	0.000	0.000	0.000	0.000
631	A	631	CYS	0	0.022	0.059	52.863	0.001	0.001	0.000	0.000	0.000	0.000
632	A	632	PRO	0	0.110	0.047	54.866	0.000	0.000	0.000	0.000	0.000	0.000
633	A	633	SER	0	0.002	-0.016	54.989	0.001	0.001	0.000	0.000	0.000	0.000
634	A	634	ASN	0	-0.048	-0.023	55.591	0.000	0.000	0.000	0.000	0.000	0.000
635	A	635	LEU	0	0.084	0.074	58.508	0.000	0.000	0.000	0.000	0.000	0.000
636	A	636	GLY	0	0.052	0.030	61.643	0.000	0.000	0.000	0.000	0.000	0.000
637	A	637	THR	0	-0.006	-0.027	64.064	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	638	SER	0	-0.070	-0.033	58.809	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	639	MET	0	0.001	0.003	59.477	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	640	ARG	1	0.787	0.892	54.695	0.035	0.035	0.000	0.000	0.000	0.000
641	A	641	ALA	0	0.013	0.005	58.955	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	642	SER	0	-0.008	-0.032	56.749	0.000	0.000	0.000	0.000	0.000	0.000
643	A	643	VAL	0	0.006	0.001	58.717	0.000	0.000	0.000	0.000	0.000	0.000
644	A	644	LEU	0	-0.036	-0.010	52.323	0.000	0.000	0.000	0.000	0.000	0.000
645	A	645	LEU	0	0.031	0.011	56.419	0.000	0.000	0.000	0.000	0.000	0.000
646	A	646	LYS	1	0.934	0.965	55.572	0.034	0.034	0.000	0.000	0.000	0.000
647	A	647	ILE	0	0.015	0.011	58.853	0.001	0.001	0.000	0.000	0.000	0.000
648	A	648	PRO	0	-0.007	-0.027	57.885	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	LYS	1	0.787	0.902	59.417	0.026	0.026	0.000	0.000	0.000	0.000
650	A	650	LEU	0	0.080	0.068	62.994	0.001	0.001	0.000	0.000	0.000	0.000
651	A	651	SER	0	0.001	0.002	57.797	0.000	0.000	0.000	0.000	0.000	0.000
652	A	652	SER	0	-0.055	-0.023	59.732	0.000	0.000	0.000	0.000	0.000	0.000
653	A	653	GLN	0	0.009	0.007	61.119	0.000	0.000	0.000	0.000	0.000	0.000
654	A	654	PRO	0	0.039	0.017	59.552	0.000	0.000	0.000	0.000	0.000	0.000
655	A	655	LYS	1	0.853	0.889	59.802	0.023	0.023	0.000	0.000	0.000	0.000
656	A	656	LYS	1	0.879	0.938	64.346	0.019	0.019	0.000	0.000	0.000	0.000
657	A	657	LEU	0	0.071	0.050	60.169	0.000	0.000	0.000	0.000	0.000	0.000
658	A	658	ASP	-1	-0.781	-0.882	61.125	-0.025	-0.025	0.000	0.000	0.000	0.000
659	A	659	GLU	-1	-0.846	-0.890	63.532	-0.019	-0.019	0.000	0.000	0.000	0.000
660	A	660	ILE	0	0.029	0.001	66.257	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	CYS	0	-0.093	-0.042	62.505	0.000	0.000	0.000	0.000	0.000	0.000
662	A	662	ALA	0	-0.006	-0.015	64.850	0.000	0.000	0.000	0.000	0.000	0.000
663	A	663	LYS	1	0.823	0.921	66.476	0.020	0.020	0.000	0.000	0.000	0.000
664	A	664	TYR	0	-0.027	-0.025	68.011	0.000	0.000	0.000	0.000	0.000	0.000
665	A	665	MET	0	-0.048	0.007	65.799	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	666	LEU	0	-0.001	0.007	62.468	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	667	GLN	0	-0.082	-0.052	56.445	0.000	0.000	0.000	0.000	0.000	0.000
668	A	668	ALA	0	0.053	0.019	57.560	0.000	0.000	0.000	0.000	0.000	0.000
669	A	669	ARG	1	0.845	0.919	48.771	0.040	0.040	0.000	0.000	0.000	0.000
670	A	670	GLY	0	0.051	0.038	49.086	-0.001	-0.001	0.000	0.000	0.000	0.000
671	A	681	GLY	0	0.063	0.013	54.938	0.000	0.000	0.000	0.000	0.000	0.000
672	A	682	THR	0	-0.062	-0.029	52.913	0.001	0.001	0.000	0.000	0.000	0.000
673	A	683	TYR	0	-0.006	-0.007	53.844	-0.001	-0.001	0.000	0.000	0.000	0.000
674	A	684	ASP	-1	-0.817	-0.882	53.017	-0.037	-0.037	0.000	0.000	0.000	0.000
675	A	685	ILE	0	0.027	0.020	55.367	0.000	0.000	0.000	0.000	0.000	0.000
676	A	686	SER	0	-0.002	-0.008	57.926	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	687	ASN	0	0.105	0.076	59.887	0.000	0.000	0.000	0.000	0.000	0.000
678	A	688	LYS	1	0.976	0.985	60.734	0.024	0.024	0.000	0.000	0.000	0.000
679	A	689	ARG	1	0.861	0.914	61.720	0.021	0.021	0.000	0.000	0.000	0.000
680	A	690	ARG	1	0.822	0.918	58.223	0.028	0.028	0.000	0.000	0.000	0.000
681	A	691	LEU	0	0.072	0.046	63.490	0.000	0.000	0.000	0.000	0.000	0.000
682	A	692	GLY	0	0.022	0.019	66.052	0.000	0.000	0.000	0.000	0.000	0.000
683	A	693	LEU	0	-0.058	-0.020	66.305	0.001	0.001	0.000	0.000	0.000	0.000
684	A	694	THR	0	0.043	0.021	69.168	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	695	GLU	-1	-0.817	-0.935	66.043	-0.024	-0.024	0.000	0.000	0.000	0.000
686	A	696	LEU	0	0.002	0.006	67.707	0.000	0.000	0.000	0.000	0.000	0.000
687	A	697	GLN	0	0.004	-0.005	70.126	0.000	0.000	0.000	0.000	0.000	0.000
688	A	698	ALA	0	0.003	0.007	65.048	0.000	0.000	0.000	0.000	0.000	0.000
689	A	699	ALA	0	-0.028	-0.026	65.482	0.000	0.000	0.000	0.000	0.000	0.000
690	A	700	HIS	0	-0.003	-0.015	66.507	0.000	0.000	0.000	0.000	0.000	0.000
691	A	701	GLU	-1	-0.796	-0.877	67.537	-0.022	-0.022	0.000	0.000	0.000	0.000
692	A	702	MET	0	-0.078	-0.037	62.128	0.000	0.000	0.000	0.000	0.000	0.000
693	A	703	ALA	0	-0.008	-0.013	65.622	0.000	0.000	0.000	0.000	0.000	0.000
694	A	704	GLU	-1	-0.824	-0.902	67.660	-0.020	-0.020	0.000	0.000	0.000	0.000
695	A	705	GLY	0	0.047	0.013	67.203	0.000	0.000	0.000	0.000	0.000	0.000
696	A	706	VAL	0	-0.038	-0.025	63.196	0.000	0.000	0.000	0.000	0.000	0.000
697	A	707	ALA	0	0.001	-0.003	65.953	0.000	0.000	0.000	0.000	0.000	0.000
698	A	708	LYN	0	0.042	0.030	69.006	0.000	0.000	0.000	0.000	0.000	0.000
699	A	709	MET	0	-0.049	-0.027	62.683	0.000	0.000	0.000	0.000	0.000	0.000
700	A	710	ILE	0	0.009	-0.007	64.646	0.000	0.000	0.000	0.000	0.000	0.000
701	A	711	GLU	-1	-0.945	-0.953	67.507	-0.020	-0.020	0.000	0.000	0.000	0.000
702	A	712	ILE	0	0.022	0.008	68.806	0.001	0.001	0.000	0.000	0.000	0.000
703	A	713	GLU	-1	-0.883	-0.951	64.325	-0.025	-0.025	0.000	0.000	0.000	0.000
704	A	714	LYS	1	0.953	0.952	67.132	0.022	0.022	0.000	0.000	0.000	0.000
705	A	715	GLY	0	0.001	0.030	69.802	0.000	0.000	0.000	0.000	0.000	0.000
706	A	716	LEU	0	-0.017	-0.011	66.068	0.000	0.000	0.000	0.000	0.000	0.000

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