FMO DATABASE

FMODB ID: M936Z

Calculation Name: 2IPC-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2IPC

Chain ID: A

ChEMBL ID:

UniProt ID: Q5SIW3

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	939
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26137180.776424
FMO2-HF: Nuclear repulsion	25763633.506709
FMO2-HF: Total energy	-373547.269715
FMO2-MP2: Total energy	-374647.969451

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.
-15.473	-20.447	25.4	-9.287	-11.139	0.032

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 : 0.060 / q_NPA : 0.036

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	GLY	0	0.045	0.036	3.841	-0.681	1.264	0.008	-0.930	-1.023	0.002
4	A	4	LEU	0	0.053	0.016	4.072	0.509	0.779	-0.001	-0.035	-0.234	0.000
5	A	5	LEU	0	0.020	0.016	2.116	0.562	0.715	6.231	-2.519	-3.866	-0.002
6	A	6	ARG	1	0.967	0.959	2.311	-18.025	-25.431	19.163	-5.800	-5.957	0.032
7	A	7	ARG	1	0.833	0.892	5.333	0.413	0.477	-0.001	-0.003	-0.059	0.000
8	A	8	LEU	0	-0.081	-0.026	7.181	0.021	0.021	0.000	0.000	0.000	0.000
9	A	9	PHE	0	-0.058	-0.051	6.904	0.354	0.354	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.902	-0.948	8.727	1.768	1.768	0.000	0.000	0.000	0.000
11	A	11	ASN	0	0.120	0.044	10.839	-0.172	-0.172	0.000	0.000	0.000	0.000
12	A	12	ASN	0	0.017	0.023	12.458	-0.237	-0.237	0.000	0.000	0.000	0.000
13	A	13	GLU	-1	-0.838	-0.873	9.324	-0.094	-0.094	0.000	0.000	0.000	0.000
14	A	14	ARG	1	0.968	0.976	12.524	-0.545	-0.545	0.000	0.000	0.000	0.000
15	A	15	GLU	-1	-0.903	-0.957	14.194	0.288	0.288	0.000	0.000	0.000	0.000
16	A	16	ILE	0	0.007	0.004	15.497	-0.066	-0.066	0.000	0.000	0.000	0.000
17	A	17	ALA	0	-0.013	0.000	15.642	-0.053	-0.053	0.000	0.000	0.000	0.000
18	A	18	ARG	1	0.900	0.942	17.585	-0.177	-0.177	0.000	0.000	0.000	0.000
19	A	19	TYR	0	-0.003	-0.033	19.825	-0.017	-0.017	0.000	0.000	0.000	0.000
20	A	20	TYR	0	0.000	-0.008	18.553	-0.021	-0.021	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.780	0.860	21.213	0.008	0.008	0.000	0.000	0.000	0.000
22	A	22	GLN	0	0.026	0.014	23.482	-0.007	-0.007	0.000	0.000	0.000	0.000
23	A	23	VAL	0	0.037	0.029	25.293	-0.001	-0.001	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.045	-0.001	23.586	-0.012	-0.012	0.000	0.000	0.000	0.000
25	A	25	GLU	-1	-0.816	-0.898	22.758	-0.031	-0.031	0.000	0.000	0.000	0.000
26	A	26	PRO	0	0.003	-0.001	27.007	-0.009	-0.009	0.000	0.000	0.000	0.000
27	A	27	VAL	0	0.030	0.018	29.884	-0.005	-0.005	0.000	0.000	0.000	0.000
28	A	28	ASN	0	-0.039	-0.022	27.268	-0.002	-0.002	0.000	0.000	0.000	0.000
29	A	29	ARG	1	0.821	0.909	29.521	0.020	0.020	0.000	0.000	0.000	0.000
30	A	30	LEU	0	0.042	0.031	32.733	-0.002	-0.002	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.771	-0.859	34.000	-0.005	-0.005	0.000	0.000	0.000	0.000
32	A	32	ALA	0	-0.034	-0.020	36.241	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.823	-0.931	38.259	0.004	0.004	0.000	0.000	0.000	0.000
34	A	34	VAL	0	0.039	0.011	38.629	0.001	0.001	0.000	0.000	0.000	0.000
35	A	35	GLU	-1	-0.858	-0.912	40.010	-0.010	-0.010	0.000	0.000	0.000	0.000
36	A	36	LYS	1	0.725	0.862	40.949	0.007	0.007	0.000	0.000	0.000	0.000
37	A	37	LEU	0	0.007	0.023	43.132	0.001	0.001	0.000	0.000	0.000	0.000
38	A	38	PRO	0	0.001	-0.006	46.305	0.000	0.000	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.815	-0.921	48.507	0.025	0.025	0.000	0.000	0.000	0.000
40	A	40	LEU	0	0.022	0.020	41.910	0.001	0.001	0.000	0.000	0.000	0.000
41	A	41	ALA	0	0.024	0.023	45.110	0.004	0.004	0.000	0.000	0.000	0.000
42	A	42	ALA	0	-0.050	-0.030	47.351	0.003	0.003	0.000	0.000	0.000	0.000
43	A	43	ALA	0	0.003	0.010	43.974	0.002	0.002	0.000	0.000	0.000	0.000
44	A	44	TYR	0	0.007	-0.012	40.443	0.002	0.002	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.887	0.937	44.534	-0.029	-0.029	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.812	-0.873	46.091	0.035	0.035	0.000	0.000	0.000	0.000
47	A	47	LEU	0	-0.005	-0.006	39.312	0.002	0.002	0.000	0.000	0.000	0.000
48	A	48	LYS	1	0.832	0.902	43.929	-0.055	-0.055	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.824	-0.892	45.457	0.041	0.041	0.000	0.000	0.000	0.000
50	A	50	LYS	1	0.809	0.868	43.142	-0.035	-0.035	0.000	0.000	0.000	0.000
51	A	51	HIS	0	-0.042	-0.034	41.271	0.003	0.003	0.000	0.000	0.000	0.000
52	A	52	GLU	-1	-0.861	-0.903	43.334	0.059	0.059	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.808	0.897	46.193	-0.042	-0.042	0.000	0.000	0.000	0.000
54	A	54	GLY	0	-0.065	-0.035	44.361	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	55	ALA	0	-0.056	-0.007	40.662	0.003	0.003	0.000	0.000	0.000	0.000
56	A	56	SER	0	0.002	-0.041	36.391	0.004	0.004	0.000	0.000	0.000	0.000
57	A	57	LEU	0	0.048	0.008	36.283	-0.003	-0.003	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.882	-0.937	31.875	0.131	0.131	0.000	0.000	0.000	0.000
59	A	59	GLU	-1	-0.884	-0.909	33.099	0.077	0.077	0.000	0.000	0.000	0.000
60	A	60	LEU	0	-0.016	-0.008	34.981	-0.008	-0.008	0.000	0.000	0.000	0.000
61	A	61	LEU	0	0.015	0.017	29.033	-0.006	-0.006	0.000	0.000	0.000	0.000
62	A	62	PRO	0	-0.021	-0.013	31.239	-0.006	-0.006	0.000	0.000	0.000	0.000
63	A	63	MET	0	0.027	0.013	33.181	-0.006	-0.006	0.000	0.000	0.000	0.000
64	A	64	ALA	0	0.072	0.039	36.076	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	65	PHE	0	0.007	0.003	29.186	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	66	ALA	0	0.001	0.006	34.337	-0.004	-0.004	0.000	0.000	0.000	0.000
67	A	67	LEU	0	-0.005	-0.009	35.443	-0.006	-0.006	0.000	0.000	0.000	0.000
68	A	68	THR	0	0.004	-0.009	35.900	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	69	ARG	1	0.791	0.891	29.506	-0.010	-0.010	0.000	0.000	0.000	0.000
70	A	70	GLU	-1	-0.767	-0.875	35.832	0.002	0.002	0.000	0.000	0.000	0.000
71	A	71	SER	0	0.018	0.004	38.925	-0.003	-0.003	0.000	0.000	0.000	0.000
72	A	72	ALA	0	0.038	0.019	36.867	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	73	LYS	1	0.709	0.840	37.363	-0.002	-0.002	0.000	0.000	0.000	0.000
74	A	74	ARG	1	0.760	0.869	39.240	-0.014	-0.014	0.000	0.000	0.000	0.000
75	A	75	TYR	0	-0.010	-0.018	43.009	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	76	LEU	0	0.036	0.023	38.212	0.001	0.001	0.000	0.000	0.000	0.000
77	A	77	GLY	0	-0.058	-0.025	39.861	-0.002	-0.002	0.000	0.000	0.000	0.000
78	A	78	MET	0	-0.090	-0.040	30.831	-0.005	-0.005	0.000	0.000	0.000	0.000
79	A	79	ARG	1	0.901	0.951	32.007	0.022	0.022	0.000	0.000	0.000	0.000
80	A	80	HIS	0	0.070	0.027	30.755	0.001	0.001	0.000	0.000	0.000	0.000
81	A	81	PHE	0	0.001	-0.011	26.645	-0.007	-0.007	0.000	0.000	0.000	0.000
82	A	82	ASP	-1	-0.763	-0.890	24.562	0.001	0.001	0.000	0.000	0.000	0.000
83	A	83	VAL	0	0.004	-0.003	21.101	0.011	0.011	0.000	0.000	0.000	0.000
84	A	84	GLN	0	-0.001	0.000	23.681	0.012	0.012	0.000	0.000	0.000	0.000
85	A	85	LEU	0	0.036	0.018	26.851	0.010	0.010	0.000	0.000	0.000	0.000
86	A	86	ILE	0	-0.024	-0.008	20.699	0.009	0.009	0.000	0.000	0.000	0.000
87	A	87	GLY	0	0.000	-0.002	24.553	0.019	0.019	0.000	0.000	0.000	0.000
88	A	88	GLY	0	0.026	0.017	25.607	0.010	0.010	0.000	0.000	0.000	0.000
89	A	89	ALA	0	0.032	0.009	25.702	0.004	0.004	0.000	0.000	0.000	0.000
90	A	90	VAL	0	-0.001	0.002	22.585	0.008	0.008	0.000	0.000	0.000	0.000
91	A	91	LEU	0	0.007	0.001	25.652	0.007	0.007	0.000	0.000	0.000	0.000
92	A	92	HIS	0	0.018	0.009	28.927	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	93	GLU	-1	-0.868	-0.905	24.788	0.225	0.225	0.000	0.000	0.000	0.000
94	A	94	GLY	0	-0.011	0.002	28.316	0.013	0.013	0.000	0.000	0.000	0.000
95	A	95	LYS	1	0.832	0.921	22.063	-0.289	-0.289	0.000	0.000	0.000	0.000
96	A	96	ILE	0	0.018	0.001	24.006	-0.022	-0.022	0.000	0.000	0.000	0.000
97	A	97	ALA	0	0.019	0.025	23.062	0.031	0.031	0.000	0.000	0.000	0.000
98	A	98	GLU	-1	-0.823	-0.920	18.602	0.415	0.415	0.000	0.000	0.000	0.000
99	A	99	MET	0	-0.020	-0.028	21.134	-0.014	-0.014	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.800	0.883	18.226	-0.322	-0.322	0.000	0.000	0.000	0.000
101	A	101	THR	0	-0.019	-0.013	23.096	-0.005	-0.005	0.000	0.000	0.000	0.000
102	A	102	GLY	0	0.047	0.027	26.550	-0.009	-0.009	0.000	0.000	0.000	0.000
103	A	103	GLU	-1	-0.705	-0.834	30.095	0.038	0.038	0.000	0.000	0.000	0.000
104	A	104	GLY	0	-0.075	-0.023	27.742	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	105	LYS	1	0.839	0.893	26.984	-0.135	-0.135	0.000	0.000	0.000	0.000
106	A	106	THR	0	0.021	-0.005	29.494	0.003	0.003	0.000	0.000	0.000	0.000
107	A	107	LEU	0	0.023	-0.003	32.233	0.000	0.000	0.000	0.000	0.000	0.000
108	A	108	VAL	0	-0.061	-0.008	27.648	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	109	ALA	0	0.031	0.020	30.770	0.005	0.005	0.000	0.000	0.000	0.000
110	A	110	THR	0	-0.021	-0.019	33.230	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	111	LEU	0	-0.024	0.007	30.011	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	112	ALA	0	0.014	0.010	31.491	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	113	VAL	0	-0.006	-0.009	33.444	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	114	ALA	0	0.033	0.028	36.764	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.053	-0.011	33.338	-0.003	-0.003	0.000	0.000	0.000	0.000
116	A	116	ASN	0	0.011	-0.017	34.182	0.004	0.004	0.000	0.000	0.000	0.000
117	A	117	ALA	0	0.025	0.024	38.201	0.000	0.000	0.000	0.000	0.000	0.000
118	A	118	LEU	0	0.003	0.028	39.680	-0.005	-0.005	0.000	0.000	0.000	0.000
119	A	119	THR	0	0.020	-0.006	41.119	-0.003	-0.003	0.000	0.000	0.000	0.000
120	A	120	GLY	0	-0.040	-0.008	43.745	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	121	LYS	1	0.817	0.912	42.359	-0.096	-0.096	0.000	0.000	0.000	0.000
122	A	122	GLY	0	0.007	0.012	44.002	0.000	0.000	0.000	0.000	0.000	0.000
123	A	123	VAL	0	-0.028	-0.017	38.349	0.006	0.006	0.000	0.000	0.000	0.000
124	A	124	HIS	0	-0.009	0.027	39.797	-0.001	-0.001	0.000	0.000	0.000	0.000
125	A	125	VAL	0	0.004	0.000	35.835	0.009	0.009	0.000	0.000	0.000	0.000
126	A	126	VAL	0	-0.005	-0.003	36.506	-0.005	-0.005	0.000	0.000	0.000	0.000
127	A	127	THR	0	-0.042	-0.036	35.348	0.008	0.008	0.000	0.000	0.000	0.000
128	A	128	VAL	0	0.030	0.007	34.219	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	129	ASN	0	-0.005	0.005	37.326	-0.007	-0.007	0.000	0.000	0.000	0.000
130	A	130	ASP	-1	-0.692	-0.866	40.617	0.067	0.067	0.000	0.000	0.000	0.000
131	A	131	TYR	0	-0.030	-0.011	40.234	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	132	LEU	0	0.011	-0.005	36.057	-0.003	-0.003	0.000	0.000	0.000	0.000
133	A	133	ALA	0	0.058	0.055	39.934	0.000	0.000	0.000	0.000	0.000	0.000
134	A	134	ARG	1	0.935	0.958	41.424	-0.048	-0.048	0.000	0.000	0.000	0.000
135	A	135	ARG	1	0.805	0.879	35.261	-0.067	-0.067	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.779	-0.865	36.226	0.073	0.073	0.000	0.000	0.000	0.000
137	A	137	ALA	0	0.021	0.024	39.615	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	138	GLH	0	-0.084	-0.085	42.538	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	139	TRP	0	-0.023	0.008	34.839	0.000	0.000	0.000	0.000	0.000	0.000
140	A	140	MET	0	-0.025	-0.020	37.067	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	141	GLY	0	0.025	0.026	40.707	0.000	0.000	0.000	0.000	0.000	0.000
142	A	142	PRO	0	-0.036	-0.017	43.002	0.000	0.000	0.000	0.000	0.000	0.000
143	A	143	VAL	0	-0.032	-0.003	38.234	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	144	TYR	0	0.034	-0.003	38.377	0.001	0.001	0.000	0.000	0.000	0.000
145	A	145	ARG	1	0.854	0.909	42.911	-0.037	-0.037	0.000	0.000	0.000	0.000
146	A	146	GLY	0	-0.047	-0.021	45.059	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	147	LEU	0	-0.055	-0.029	40.066	-0.003	-0.003	0.000	0.000	0.000	0.000
148	A	148	GLY	0	-0.065	-0.042	44.822	0.001	0.001	0.000	0.000	0.000	0.000
149	A	149	LEU	0	-0.042	-0.004	41.809	0.002	0.002	0.000	0.000	0.000	0.000
150	A	150	SER	0	-0.064	-0.063	46.002	-0.002	-0.002	0.000	0.000	0.000	0.000
151	A	151	VAL	0	-0.024	-0.019	44.412	0.003	0.003	0.000	0.000	0.000	0.000
152	A	152	GLY	0	0.014	0.021	45.834	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	153	VAL	0	-0.058	-0.024	44.845	0.004	0.004	0.000	0.000	0.000	0.000
154	A	154	ILE	0	-0.006	0.011	45.857	-0.003	-0.003	0.000	0.000	0.000	0.000
155	A	155	GLN	0	-0.057	-0.028	45.343	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	156	HIS	0	-0.043	-0.037	48.163	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	157	ALA	0	-0.041	-0.029	49.611	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	158	SER	0	-0.058	-0.022	50.706	-0.002	-0.002	0.000	0.000	0.000	0.000
159	A	159	THR	0	0.034	-0.024	53.200	0.001	0.001	0.000	0.000	0.000	0.000
160	A	160	PRO	0	0.034	-0.007	55.045	0.001	0.001	0.000	0.000	0.000	0.000
161	A	161	ALA	0	0.014	0.019	55.626	0.001	0.001	0.000	0.000	0.000	0.000
162	A	162	GLU	-1	-0.839	-0.900	53.546	0.047	0.047	0.000	0.000	0.000	0.000
163	A	163	ARG	1	0.786	0.884	49.172	-0.063	-0.063	0.000	0.000	0.000	0.000
164	A	164	ARG	1	0.890	0.945	51.040	-0.050	-0.050	0.000	0.000	0.000	0.000
165	A	165	LYS	1	0.904	0.957	52.376	-0.042	-0.042	0.000	0.000	0.000	0.000
166	A	166	ALA	0	-0.033	-0.021	48.506	0.001	0.001	0.000	0.000	0.000	0.000
167	A	167	TYR	0	0.008	-0.037	45.452	0.004	0.004	0.000	0.000	0.000	0.000
168	A	168	LEU	0	-0.026	-0.005	48.033	0.002	0.002	0.000	0.000	0.000	0.000
169	A	169	ALA	0	-0.058	-0.007	47.497	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	170	ASP	-1	-0.823	-0.894	44.549	0.060	0.060	0.000	0.000	0.000	0.000
171	A	171	VAL	0	-0.025	-0.009	40.456	0.005	0.005	0.000	0.000	0.000	0.000
172	A	172	THR	0	-0.026	-0.025	42.436	-0.004	-0.004	0.000	0.000	0.000	0.000
173	A	173	TYR	0	0.016	0.019	37.766	0.006	0.006	0.000	0.000	0.000	0.000
174	A	174	VAL	0	-0.010	-0.005	41.258	-0.005	-0.005	0.000	0.000	0.000	0.000
175	A	175	THR	0	0.022	0.035	40.439	0.006	0.006	0.000	0.000	0.000	0.000
176	A	176	ASN	0	0.051	-0.013	38.066	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	177	SER	0	0.048	0.024	40.196	0.000	0.000	0.000	0.000	0.000	0.000
178	A	178	GLU	-1	-0.848	-0.898	43.143	0.068	0.068	0.000	0.000	0.000	0.000
179	A	179	LEU	0	0.016	-0.001	40.700	-0.001	-0.001	0.000	0.000	0.000	0.000
180	A	180	GLY	0	0.016	0.009	43.652	0.001	0.001	0.000	0.000	0.000	0.000
181	A	181	PHE	0	-0.002	-0.017	44.263	0.000	0.000	0.000	0.000	0.000	0.000
182	A	182	ASP	-1	-0.770	-0.840	47.674	0.068	0.068	0.000	0.000	0.000	0.000
183	A	183	TYR	0	0.040	0.025	45.962	-0.002	-0.002	0.000	0.000	0.000	0.000
184	A	184	LEU	0	-0.029	-0.018	47.132	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	185	ARG	1	0.891	0.928	49.905	-0.072	-0.072	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.695	-0.842	51.095	0.067	0.067	0.000	0.000	0.000	0.000
187	A	187	ASN	0	-0.088	-0.042	49.873	-0.001	-0.001	0.000	0.000	0.000	0.000
188	A	188	MET	0	-0.061	-0.037	53.407	0.001	0.001	0.000	0.000	0.000	0.000
189	A	189	ALA	0	-0.044	0.003	56.204	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	190	ILE	0	0.003	0.007	58.138	0.000	0.000	0.000	0.000	0.000	0.000
191	A	191	SER	0	0.002	-0.004	61.787	0.000	0.000	0.000	0.000	0.000	0.000
192	A	192	PRO	0	0.090	0.012	59.365	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	ASP	-1	-0.945	-0.954	58.915	0.047	0.047	0.000	0.000	0.000	0.000
194	A	194	GLN	0	-0.049	-0.029	58.731	0.000	0.000	0.000	0.000	0.000	0.000
195	A	195	LEU	0	-0.007	0.027	54.447	0.001	0.001	0.000	0.000	0.000	0.000
196	A	196	VAL	0	-0.079	-0.043	50.718	-0.003	-0.003	0.000	0.000	0.000	0.000
197	A	197	LEU	0	-0.026	-0.013	46.710	0.000	0.000	0.000	0.000	0.000	0.000
198	A	198	ARG	1	0.853	0.934	47.350	-0.071	-0.071	0.000	0.000	0.000	0.000
199	A	199	HIS	0	0.033	0.012	50.679	0.003	0.003	0.000	0.000	0.000	0.000
200	A	200	ASP	-1	-0.923	-0.974	49.401	0.066	0.066	0.000	0.000	0.000	0.000
201	A	201	HIS	0	0.044	-0.025	44.973	0.002	0.002	0.000	0.000	0.000	0.000
202	A	202	PRO	0	-0.044	0.049	45.449	0.005	0.005	0.000	0.000	0.000	0.000
203	A	203	LEU	0	-0.012	-0.037	42.237	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	204	HIS	0	-0.015	-0.001	40.374	0.005	0.005	0.000	0.000	0.000	0.000
205	A	205	TYR	0	0.026	-0.011	32.251	0.003	0.003	0.000	0.000	0.000	0.000
206	A	206	ALA	0	0.005	0.000	36.319	-0.007	-0.007	0.000	0.000	0.000	0.000
207	A	207	ILE	0	-0.007	0.001	32.136	0.011	0.011	0.000	0.000	0.000	0.000
208	A	208	ILE	0	-0.010	-0.015	32.255	-0.008	-0.008	0.000	0.000	0.000	0.000
209	A	209	ASP	-1	-0.761	-0.885	31.260	0.129	0.129	0.000	0.000	0.000	0.000
210	A	210	GLU	-1	-0.800	-0.878	30.008	0.139	0.139	0.000	0.000	0.000	0.000
211	A	211	VAL	0	0.020	0.024	27.230	0.001	0.001	0.000	0.000	0.000	0.000
212	A	212	ASP	-1	-0.764	-0.869	26.306	0.215	0.215	0.000	0.000	0.000	0.000
213	A	213	SER	0	-0.026	-0.012	28.421	-0.008	-0.008	0.000	0.000	0.000	0.000
214	A	214	ILE	0	0.028	0.000	31.515	-0.005	-0.005	0.000	0.000	0.000	0.000
215	A	215	LEU	0	-0.039	-0.017	30.675	-0.004	-0.004	0.000	0.000	0.000	0.000
216	A	216	ILE	0	-0.010	-0.021	27.150	0.010	0.010	0.000	0.000	0.000	0.000
217	A	217	ASP	-1	-0.874	-0.898	29.632	0.194	0.194	0.000	0.000	0.000	0.000
218	A	218	GLU	-1	-0.893	-0.936	32.674	0.107	0.107	0.000	0.000	0.000	0.000
219	A	219	ALA	0	-0.034	0.011	34.158	-0.008	-0.008	0.000	0.000	0.000	0.000
220	A	220	ARG	1	0.886	0.926	33.631	-0.138	-0.138	0.000	0.000	0.000	0.000
221	A	221	THR	0	0.018	0.009	36.678	-0.002	-0.002	0.000	0.000	0.000	0.000
222	A	222	PRO	0	-0.039	-0.029	40.064	0.005	0.005	0.000	0.000	0.000	0.000
223	A	223	LEU	0	-0.027	0.029	42.530	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	224	ILE	0	0.017	-0.024	45.038	0.002	0.002	0.000	0.000	0.000	0.000
225	A	225	ILE	0	0.025	0.013	48.435	-0.002	-0.002	0.000	0.000	0.000	0.000
226	A	226	SER	0	-0.012	0.005	52.074	0.000	0.000	0.000	0.000	0.000	0.000
227	A	227	GLY	0	0.013	0.000	54.598	-0.002	-0.002	0.000	0.000	0.000	0.000
228	A	228	PRO	0	-0.057	-0.045	58.186	0.000	0.000	0.000	0.000	0.000	0.000
229	A	229	ALA	0	0.027	0.025	60.833	0.001	0.001	0.000	0.000	0.000	0.000
230	A	230	GLU	-1	-0.821	-0.914	58.889	0.058	0.058	0.000	0.000	0.000	0.000
231	A	231	LYS	1	0.856	0.913	63.237	-0.042	-0.042	0.000	0.000	0.000	0.000
232	A	232	ALA	0	0.011	0.009	67.042	0.000	0.000	0.000	0.000	0.000	0.000
233	A	233	THR	0	0.069	0.021	68.494	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	234	ASP	-1	-0.855	-0.918	70.464	0.037	0.037	0.000	0.000	0.000	0.000
235	A	235	LEU	0	0.012	-0.005	72.513	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	236	TYR	0	0.072	0.038	67.247	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	237	TYR	0	-0.050	-0.041	70.835	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	238	LYS	1	0.811	0.894	74.834	-0.035	-0.035	0.000	0.000	0.000	0.000
239	A	239	MET	0	0.062	0.040	74.294	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	240	ALA	0	0.049	0.025	75.019	0.000	0.000	0.000	0.000	0.000	0.000
241	A	241	GLU	-1	-0.927	-0.956	76.795	0.030	0.030	0.000	0.000	0.000	0.000
242	A	242	ILE	0	0.068	0.048	78.945	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	243	ALA	0	0.052	0.022	77.860	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	244	LYS	1	0.889	0.945	79.997	-0.031	-0.031	0.000	0.000	0.000	0.000
245	A	245	LYS	1	0.765	0.872	82.443	-0.030	-0.030	0.000	0.000	0.000	0.000
246	A	246	LEU	0	-0.029	-0.003	81.673	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	247	GLU	-1	-0.835	-0.893	84.455	0.029	0.029	0.000	0.000	0.000	0.000
248	A	248	ARG	1	0.839	0.904	81.612	-0.032	-0.032	0.000	0.000	0.000	0.000
249	A	249	GLY	0	-0.030	-0.008	84.961	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	250	LEU	0	0.004	-0.001	85.583	0.001	0.001	0.000	0.000	0.000	0.000
251	A	251	PRO	0	0.054	0.011	83.911	0.000	0.000	0.000	0.000	0.000	0.000
252	A	252	ALA	0	-0.034	-0.010	85.959	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	253	GLU	-1	-0.890	-0.943	87.836	0.027	0.027	0.000	0.000	0.000	0.000
254	A	254	PRO	0	-0.063	-0.040	91.214	0.000	0.000	0.000	0.000	0.000	0.000
255	A	255	GLY	0	0.042	0.032	91.596	0.000	0.000	0.000	0.000	0.000	0.000
256	A	256	VAL	0	-0.078	-0.031	92.737	0.000	0.000	0.000	0.000	0.000	0.000
257	A	257	ARG	1	0.872	0.910	88.949	-0.028	-0.028	0.000	0.000	0.000	0.000
258	A	258	LYS	1	0.990	1.007	84.858	-0.032	-0.032	0.000	0.000	0.000	0.000
259	A	259	GLU	-1	-0.809	-0.894	87.820	0.027	0.027	0.000	0.000	0.000	0.000
260	A	260	PRO	0	-0.063	-0.020	87.770	0.000	0.000	0.000	0.000	0.000	0.000
261	A	261	THR	0	0.000	-0.001	82.545	0.000	0.000	0.000	0.000	0.000	0.000
262	A	262	GLY	0	-0.016	-0.004	81.801	0.001	0.001	0.000	0.000	0.000	0.000
263	A	263	ASP	-1	-0.823	-0.918	81.131	0.033	0.033	0.000	0.000	0.000	0.000
264	A	264	TYR	0	-0.023	-0.025	78.870	0.001	0.001	0.000	0.000	0.000	0.000
265	A	265	THR	0	-0.007	0.034	73.801	0.000	0.000	0.000	0.000	0.000	0.000
266	A	266	VAL	0	0.061	0.001	76.400	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	267	GLU	-1	-0.919	-0.981	75.011	0.041	0.041	0.000	0.000	0.000	0.000
268	A	268	GLU	-1	-0.900	-0.923	72.912	0.043	0.043	0.000	0.000	0.000	0.000
269	A	269	LYS	1	0.730	0.884	71.026	-0.045	-0.045	0.000	0.000	0.000	0.000
270	A	270	ASN	0	0.046	-0.008	67.977	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	271	ARG	1	0.785	0.874	68.506	-0.047	-0.047	0.000	0.000	0.000	0.000
272	A	272	SER	0	0.062	0.037	73.690	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	273	VAL	0	-0.030	-0.027	75.754	0.000	0.000	0.000	0.000	0.000	0.000
274	A	274	HIS	0	0.043	0.026	75.885	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	275	LEU	0	-0.026	-0.032	80.523	0.000	0.000	0.000	0.000	0.000	0.000
276	A	276	THR	0	-0.034	-0.018	82.734	0.000	0.000	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.054	0.012	85.401	0.000	0.000	0.000	0.000	0.000	0.000
278	A	278	GLN	0	-0.008	0.009	86.884	0.000	0.000	0.000	0.000	0.000	0.000
279	A	279	GLY	0	0.049	0.022	84.750	0.000	0.000	0.000	0.000	0.000	0.000
280	A	280	ILE	0	-0.025	-0.014	81.703	0.000	0.000	0.000	0.000	0.000	0.000
281	A	281	ALA	0	0.063	0.013	83.749	0.000	0.000	0.000	0.000	0.000	0.000
282	A	282	LYS	1	0.767	0.860	86.312	-0.028	-0.028	0.000	0.000	0.000	0.000
283	A	283	ALA	0	0.020	0.005	81.131	0.000	0.000	0.000	0.000	0.000	0.000
284	A	284	GLU	-1	-0.784	-0.883	82.415	0.030	0.030	0.000	0.000	0.000	0.000
285	A	285	LYS	1	0.809	0.899	83.404	-0.028	-0.028	0.000	0.000	0.000	0.000
286	A	286	LEU	0	-0.069	-0.020	82.052	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	287	LEU	0	-0.077	-0.052	79.047	0.000	0.000	0.000	0.000	0.000	0.000
288	A	288	GLY	0	0.015	0.022	81.431	0.001	0.001	0.000	0.000	0.000	0.000
289	A	289	ILE	0	-0.025	-0.005	82.456	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	290	GLU	-1	-0.858	-0.944	82.511	0.030	0.030	0.000	0.000	0.000	0.000
291	A	291	GLY	0	-0.020	-0.015	82.334	0.001	0.001	0.000	0.000	0.000	0.000
292	A	292	LEU	0	0.005	-0.013	79.387	0.000	0.000	0.000	0.000	0.000	0.000
293	A	293	PHE	0	-0.014	0.013	77.262	0.001	0.001	0.000	0.000	0.000	0.000
294	A	294	SER	0	-0.044	-0.017	77.055	0.001	0.001	0.000	0.000	0.000	0.000
295	A	295	PRO	0	-0.028	-0.015	76.100	0.001	0.001	0.000	0.000	0.000	0.000
296	A	296	GLU	-1	-0.903	-0.963	73.600	0.037	0.037	0.000	0.000	0.000	0.000
297	A	297	ASN	0	-0.115	-0.025	73.342	0.000	0.000	0.000	0.000	0.000	0.000
298	A	298	MET	0	0.023	0.014	69.465	0.000	0.000	0.000	0.000	0.000	0.000
299	A	299	GLU	-1	-0.824	-0.926	68.959	0.043	0.043	0.000	0.000	0.000	0.000
300	A	300	LEU	0	-0.014	-0.012	70.387	0.000	0.000	0.000	0.000	0.000	0.000
301	A	301	ALA	0	0.009	0.002	73.677	0.000	0.000	0.000	0.000	0.000	0.000
302	A	302	HIS	0	-0.003	0.026	65.429	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	303	MET	0	0.024	0.014	70.176	0.000	0.000	0.000	0.000	0.000	0.000
304	A	304	LEU	0	-0.025	-0.023	71.944	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	305	ILE	0	-0.031	-0.033	72.329	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	306	GLN	0	0.001	0.002	66.821	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	307	ALA	0	-0.021	-0.002	71.399	0.000	0.000	0.000	0.000	0.000	0.000
308	A	308	ILE	0	-0.065	-0.045	73.850	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	309	ARG	1	0.811	0.882	69.087	-0.047	-0.047	0.000	0.000	0.000	0.000
310	A	310	ALA	0	-0.015	0.004	71.031	0.000	0.000	0.000	0.000	0.000	0.000
311	A	311	LYS	1	0.752	0.852	72.283	-0.035	-0.035	0.000	0.000	0.000	0.000
312	A	312	GLU	-1	-0.837	-0.898	75.782	0.034	0.034	0.000	0.000	0.000	0.000
313	A	313	LEU	0	-0.028	0.009	70.465	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	314	TYR	0	0.037	0.024	66.257	0.002	0.002	0.000	0.000	0.000	0.000
315	A	315	HIS	1	0.830	0.933	70.884	-0.044	-0.044	0.000	0.000	0.000	0.000
316	A	316	ARG	1	0.946	0.951	71.167	-0.038	-0.038	0.000	0.000	0.000	0.000
317	A	317	ASP	-1	-0.919	-0.941	70.302	0.041	0.041	0.000	0.000	0.000	0.000
318	A	318	ARG	1	0.795	0.895	70.573	-0.039	-0.039	0.000	0.000	0.000	0.000
319	A	319	ASP	-1	-0.786	-0.897	67.210	0.047	0.047	0.000	0.000	0.000	0.000
320	A	320	TYR	0	-0.025	-0.019	65.718	0.002	0.002	0.000	0.000	0.000	0.000
321	A	321	ILE	0	0.010	0.018	65.796	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	322	VAL	0	0.018	0.005	66.032	0.002	0.002	0.000	0.000	0.000	0.000
323	A	323	GLN	0	-0.061	-0.036	64.152	0.000	0.000	0.000	0.000	0.000	0.000
324	A	324	ASP	-1	-0.914	-0.963	67.489	0.040	0.040	0.000	0.000	0.000	0.000
325	A	325	GLY	0	-0.113	-0.030	63.789	0.000	0.000	0.000	0.000	0.000	0.000
326	A	326	GLN	0	-0.039	-0.053	62.678	0.000	0.000	0.000	0.000	0.000	0.000
327	A	327	VAL	0	0.001	0.003	64.956	0.000	0.000	0.000	0.000	0.000	0.000
328	A	328	ILE	0	-0.045	-0.009	60.454	0.002	0.002	0.000	0.000	0.000	0.000
329	A	329	ILE	0	0.017	0.006	60.649	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	330	VAL	0	0.004	0.012	61.936	0.001	0.001	0.000	0.000	0.000	0.000
331	A	331	ASP	-1	-0.825	-0.901	57.763	0.066	0.066	0.000	0.000	0.000	0.000
332	A	332	GLU	-1	-0.930	-0.971	61.419	0.050	0.050	0.000	0.000	0.000	0.000
333	A	333	PHE	0	-0.034	-0.019	57.756	0.000	0.000	0.000	0.000	0.000	0.000
334	A	334	THR	0	-0.046	-0.045	56.827	0.000	0.000	0.000	0.000	0.000	0.000
335	A	335	GLY	0	0.008	0.027	59.672	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	336	ARG	1	0.773	0.894	53.543	-0.070	-0.070	0.000	0.000	0.000	0.000
337	A	337	LEU	0	0.041	0.018	60.132	0.000	0.000	0.000	0.000	0.000	0.000
338	A	338	MET	0	-0.019	-0.006	57.869	0.003	0.003	0.000	0.000	0.000	0.000
339	A	339	PRO	0	-0.066	-0.043	54.150	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	340	GLY	0	0.014	0.003	54.903	0.003	0.003	0.000	0.000	0.000	0.000
341	A	341	ARG	1	0.760	0.854	52.075	-0.073	-0.073	0.000	0.000	0.000	0.000
342	A	342	ARG	1	0.855	0.927	57.096	-0.060	-0.060	0.000	0.000	0.000	0.000
343	A	343	TYR	0	0.072	0.013	59.489	0.000	0.000	0.000	0.000	0.000	0.000
344	A	344	GLY	0	0.049	0.024	60.468	0.000	0.000	0.000	0.000	0.000	0.000
345	A	345	GLU	-1	-0.817	-0.902	61.383	0.047	0.047	0.000	0.000	0.000	0.000
346	A	346	GLY	0	0.081	0.042	62.725	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	347	LEU	0	-0.035	-0.023	63.901	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	348	HIS	0	-0.015	0.021	62.590	-0.001	-0.001	0.000	0.000	0.000	0.000
349	A	349	GLN	0	0.124	0.026	62.534	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	350	ALA	0	0.005	0.008	66.497	-0.002	-0.002	0.000	0.000	0.000	0.000
351	A	351	ILE	0	-0.002	-0.008	67.350	-0.002	-0.002	0.000	0.000	0.000	0.000
352	A	352	GLU	-1	-0.848	-0.920	64.966	0.049	0.049	0.000	0.000	0.000	0.000
353	A	353	ALA	0	-0.020	-0.007	69.091	-0.002	-0.002	0.000	0.000	0.000	0.000
354	A	354	LYS	1	0.769	0.898	72.009	-0.038	-0.038	0.000	0.000	0.000	0.000
355	A	355	GLU	-1	-0.862	-0.948	71.128	0.038	0.038	0.000	0.000	0.000	0.000
356	A	356	GLY	0	-0.055	-0.005	73.218	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	357	VAL	0	-0.015	0.014	67.201	0.000	0.000	0.000	0.000	0.000	0.000
358	A	358	ARG	1	0.916	0.953	67.783	-0.039	-0.039	0.000	0.000	0.000	0.000
359	A	359	ILE	0	0.043	0.039	65.671	0.001	0.001	0.000	0.000	0.000	0.000
360	A	360	GLU	-1	-0.833	-0.899	60.935	0.052	0.052	0.000	0.000	0.000	0.000
361	A	361	ARG	1	0.827	0.887	63.163	-0.044	-0.044	0.000	0.000	0.000	0.000
362	A	362	GLU	-1	-0.895	-0.945	58.681	0.052	0.052	0.000	0.000	0.000	0.000
363	A	363	ASN	0	-0.047	-0.022	55.095	0.002	0.002	0.000	0.000	0.000	0.000
364	A	364	GLN	0	0.094	0.050	55.023	0.004	0.004	0.000	0.000	0.000	0.000
365	A	365	THR	0	-0.058	-0.047	50.237	0.000	0.000	0.000	0.000	0.000	0.000
366	A	366	LEU	0	0.007	0.012	53.205	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	367	ALA	0	0.006	-0.004	51.014	0.000	0.000	0.000	0.000	0.000	0.000
368	A	368	THR	0	-0.006	0.001	45.518	0.000	0.000	0.000	0.000	0.000	0.000
369	A	369	ILE	0	-0.007	0.015	42.727	0.003	0.003	0.000	0.000	0.000	0.000
370	A	370	THR	0	0.019	0.031	38.780	0.002	0.002	0.000	0.000	0.000	0.000
371	A	371	TYR	0	0.089	0.010	37.214	0.000	0.000	0.000	0.000	0.000	0.000
372	A	372	GLN	0	-0.007	-0.010	33.752	-0.007	-0.007	0.000	0.000	0.000	0.000
373	A	373	ASN	0	0.033	-0.015	36.596	0.006	0.006	0.000	0.000	0.000	0.000
374	A	374	PHE	0	0.018	0.029	39.178	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	375	PHE	0	0.027	0.020	36.052	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	376	ARG	1	0.813	0.890	33.645	-0.178	-0.178	0.000	0.000	0.000	0.000
377	A	377	LEU	0	-0.070	-0.037	37.352	0.001	0.001	0.000	0.000	0.000	0.000
378	A	378	TYR	0	-0.062	-0.020	37.643	-0.003	-0.003	0.000	0.000	0.000	0.000
379	A	379	GLU	-1	-0.809	-0.875	38.248	0.111	0.111	0.000	0.000	0.000	0.000
380	A	380	LYS	1	0.799	0.886	32.575	-0.131	-0.131	0.000	0.000	0.000	0.000
381	A	381	ARG	1	0.901	0.954	32.918	-0.181	-0.181	0.000	0.000	0.000	0.000
382	A	382	ALA	0	0.044	0.013	29.894	0.012	0.012	0.000	0.000	0.000	0.000
383	A	383	GLY	0	0.004	-0.020	28.931	-0.011	-0.011	0.000	0.000	0.000	0.000
384	A	384	MET	0	-0.068	-0.014	26.794	0.015	0.015	0.000	0.000	0.000	0.000
385	A	385	THR	0	0.021	-0.017	24.615	-0.010	-0.010	0.000	0.000	0.000	0.000
386	A	386	GLY	0	0.025	0.038	22.911	0.020	0.020	0.000	0.000	0.000	0.000
387	A	387	THR	0	-0.098	-0.055	21.394	0.027	0.027	0.000	0.000	0.000	0.000
388	A	388	ALA	0	0.053	0.010	21.280	-0.022	-0.022	0.000	0.000	0.000	0.000
389	A	389	LYS	1	0.798	0.890	15.629	-0.676	-0.676	0.000	0.000	0.000	0.000
390	A	390	THR	0	-0.089	-0.045	18.935	0.068	0.068	0.000	0.000	0.000	0.000
391	A	391	GLU	-1	-0.831	-0.911	19.932	0.354	0.354	0.000	0.000	0.000	0.000
392	A	392	GLU	-1	-0.812	-0.886	18.334	0.609	0.609	0.000	0.000	0.000	0.000
393	A	393	LYS	1	0.902	0.940	20.722	-0.419	-0.419	0.000	0.000	0.000	0.000
394	A	394	GLU	-1	-0.849	-0.903	22.551	0.236	0.236	0.000	0.000	0.000	0.000
395	A	395	PHE	0	0.003	-0.013	24.298	-0.024	-0.024	0.000	0.000	0.000	0.000
396	A	396	GLN	0	0.006	-0.012	20.984	0.000	0.000	0.000	0.000	0.000	0.000
397	A	397	GLU	-1	-0.879	-0.916	25.220	0.341	0.341	0.000	0.000	0.000	0.000
398	A	398	ILE	0	-0.093	-0.042	27.944	-0.024	-0.024	0.000	0.000	0.000	0.000
399	A	399	TYR	0	-0.031	-0.027	29.940	-0.023	-0.023	0.000	0.000	0.000	0.000
400	A	400	GLY	0	0.010	0.011	28.967	-0.014	-0.014	0.000	0.000	0.000	0.000
401	A	401	MET	0	-0.069	0.012	27.151	0.004	0.004	0.000	0.000	0.000	0.000
402	A	402	ASP	-1	-0.800	-0.890	21.679	0.408	0.408	0.000	0.000	0.000	0.000
403	A	403	VAL	0	-0.057	-0.036	20.250	-0.032	-0.032	0.000	0.000	0.000	0.000
404	A	404	VAL	0	0.000	0.001	18.720	0.066	0.066	0.000	0.000	0.000	0.000
405	A	405	VAL	0	-0.035	-0.021	15.393	-0.035	-0.035	0.000	0.000	0.000	0.000
406	A	406	VAL	0	0.001	0.002	16.958	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	407	PRO	0	-0.018	-0.002	16.334	-0.004	-0.004	0.000	0.000	0.000	0.000
408	A	408	THR	0	-0.015	-0.009	17.963	0.000	0.000	0.000	0.000	0.000	0.000
409	A	409	ASN	0	-0.021	-0.007	19.962	-0.028	-0.028	0.000	0.000	0.000	0.000
410	A	410	ARG	1	0.962	0.974	21.399	0.037	0.037	0.000	0.000	0.000	0.000
411	A	411	PRO	0	0.008	-0.005	16.937	0.028	0.028	0.000	0.000	0.000	0.000
412	A	412	VAL	0	0.025	0.017	17.351	-0.002	-0.002	0.000	0.000	0.000	0.000
413	A	413	ILE	0	0.026	0.007	17.858	-0.026	-0.026	0.000	0.000	0.000	0.000
414	A	414	ARG	1	0.781	0.875	20.195	-0.121	-0.121	0.000	0.000	0.000	0.000
415	A	415	LYS	1	0.925	0.941	20.021	0.081	0.081	0.000	0.000	0.000	0.000
416	A	416	ASP	-1	-0.787	-0.819	19.618	0.115	0.115	0.000	0.000	0.000	0.000
417	A	417	PHE	0	-0.074	-0.043	20.402	-0.007	-0.007	0.000	0.000	0.000	0.000
418	A	418	PRO	0	-0.004	-0.007	21.117	0.018	0.018	0.000	0.000	0.000	0.000
419	A	419	ASP	-1	-0.806	-0.892	22.937	0.120	0.120	0.000	0.000	0.000	0.000
420	A	420	VAL	0	-0.011	-0.013	25.970	-0.013	-0.013	0.000	0.000	0.000	0.000
421	A	421	VAL	0	-0.040	-0.015	28.005	0.007	0.007	0.000	0.000	0.000	0.000
422	A	422	TYR	0	0.025	-0.002	30.775	-0.011	-0.011	0.000	0.000	0.000	0.000
423	A	423	ARG	1	0.947	0.969	34.477	-0.024	-0.024	0.000	0.000	0.000	0.000
424	A	424	THR	0	0.005	0.015	36.638	0.003	0.003	0.000	0.000	0.000	0.000
425	A	425	GLU	-1	-0.768	-0.889	38.152	0.057	0.057	0.000	0.000	0.000	0.000
426	A	426	LYS	1	0.927	0.958	39.192	-0.022	-0.022	0.000	0.000	0.000	0.000
427	A	427	GLY	0	0.011	-0.010	39.800	-0.003	-0.003	0.000	0.000	0.000	0.000
428	A	428	LYS	1	0.802	0.895	34.267	-0.065	-0.065	0.000	0.000	0.000	0.000
429	A	429	PHE	0	0.003	0.000	37.088	-0.002	-0.002	0.000	0.000	0.000	0.000
430	A	430	TYR	0	-0.018	-0.008	39.324	-0.003	-0.003	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.017	0.000	35.894	-0.004	-0.004	0.000	0.000	0.000	0.000
432	A	432	VAL	0	0.051	0.024	34.687	-0.003	-0.003	0.000	0.000	0.000	0.000
433	A	433	VAL	0	-0.029	-0.013	36.797	-0.003	-0.003	0.000	0.000	0.000	0.000
434	A	434	GLU	-1	-0.835	-0.887	38.171	-0.006	-0.006	0.000	0.000	0.000	0.000
435	A	435	GLU	-1	-0.769	-0.841	31.530	0.005	0.005	0.000	0.000	0.000	0.000
436	A	436	ILE	0	0.006	0.002	35.914	-0.004	-0.004	0.000	0.000	0.000	0.000
437	A	437	ALA	0	0.028	0.014	37.709	-0.003	-0.003	0.000	0.000	0.000	0.000
438	A	438	GLU	-1	-0.886	-0.918	33.952	-0.026	-0.026	0.000	0.000	0.000	0.000
439	A	439	LYS	1	0.824	0.895	31.361	0.009	0.009	0.000	0.000	0.000	0.000
440	A	440	TYR	0	-0.015	-0.009	36.405	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	441	GLU	-1	-0.879	-0.943	39.838	-0.026	-0.026	0.000	0.000	0.000	0.000
442	A	442	ARG	1	0.813	0.908	32.538	0.043	0.043	0.000	0.000	0.000	0.000
443	A	443	GLY	0	0.003	0.002	38.568	-0.004	-0.004	0.000	0.000	0.000	0.000
444	A	444	GLN	0	-0.106	-0.045	29.770	-0.006	-0.006	0.000	0.000	0.000	0.000
445	A	445	PRO	0	0.009	0.015	33.777	0.003	0.003	0.000	0.000	0.000	0.000
446	A	446	VAL	0	0.017	0.007	33.888	0.001	0.001	0.000	0.000	0.000	0.000
447	A	447	LEU	0	-0.027	-0.011	32.410	0.002	0.002	0.000	0.000	0.000	0.000
448	A	448	VAL	0	-0.004	-0.006	32.965	0.005	0.005	0.000	0.000	0.000	0.000
449	A	449	GLY	0	0.010	0.014	33.434	0.002	0.002	0.000	0.000	0.000	0.000
450	A	450	THR	0	-0.062	-0.042	34.423	0.001	0.001	0.000	0.000	0.000	0.000
451	A	451	ILE	0	0.057	0.027	32.888	0.005	0.005	0.000	0.000	0.000	0.000
452	A	452	SER	0	0.030	0.012	37.161	0.000	0.000	0.000	0.000	0.000	0.000
453	A	453	ILE	0	0.076	0.036	40.919	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	454	GLU	-1	-0.816	-0.869	43.830	0.043	0.043	0.000	0.000	0.000	0.000
455	A	455	LYS	1	0.796	0.871	38.079	-0.071	-0.071	0.000	0.000	0.000	0.000
456	A	456	SER	0	0.005	0.021	41.163	-0.002	-0.002	0.000	0.000	0.000	0.000
457	A	457	GLU	-1	-0.780	-0.893	42.202	0.035	0.035	0.000	0.000	0.000	0.000
458	A	458	ARG	1	0.817	0.917	44.331	-0.041	-0.041	0.000	0.000	0.000	0.000
459	A	459	LEU	0	-0.002	-0.015	38.435	-0.004	-0.004	0.000	0.000	0.000	0.000
460	A	460	SER	0	0.051	0.007	43.005	-0.004	-0.004	0.000	0.000	0.000	0.000
461	A	461	GLN	0	-0.052	-0.037	45.220	-0.003	-0.003	0.000	0.000	0.000	0.000
462	A	462	MET	0	-0.054	-0.041	42.693	-0.003	-0.003	0.000	0.000	0.000	0.000
463	A	463	LEU	0	-0.009	0.004	41.381	-0.003	-0.003	0.000	0.000	0.000	0.000
464	A	464	LYS	1	0.824	0.932	45.856	-0.022	-0.022	0.000	0.000	0.000	0.000
465	A	465	GLU	-1	-0.820	-0.906	48.971	0.016	0.016	0.000	0.000	0.000	0.000
466	A	466	PRO	0	0.025	0.030	48.914	0.000	0.000	0.000	0.000	0.000	0.000
467	A	467	ARG	1	0.882	0.920	49.991	-0.008	-0.008	0.000	0.000	0.000	0.000
468	A	468	LEU	0	-0.003	-0.027	48.166	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	469	TYR	0	-0.017	-0.026	42.462	0.000	0.000	0.000	0.000	0.000	0.000
470	A	470	LEU	0	-0.016	-0.009	47.295	-0.002	-0.002	0.000	0.000	0.000	0.000
471	A	471	PRO	0	0.014	0.026	47.647	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	472	ARG	1	0.925	0.968	38.300	-0.004	-0.004	0.000	0.000	0.000	0.000
473	A	473	LEU	0	0.008	0.012	45.807	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	474	GLU	-1	-0.917	-0.976	47.675	-0.002	-0.002	0.000	0.000	0.000	0.000
475	A	475	MET	0	-0.036	-0.022	45.632	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	476	ARG	1	0.747	0.828	38.332	0.009	0.009	0.000	0.000	0.000	0.000
477	A	477	LEU	0	0.004	0.004	45.532	-0.003	-0.003	0.000	0.000	0.000	0.000
478	A	478	GLU	-1	-0.826	-0.913	49.000	-0.008	-0.008	0.000	0.000	0.000	0.000
479	A	479	LEU	0	-0.002	0.006	42.736	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	480	PHE	0	0.036	0.016	46.131	-0.002	-0.002	0.000	0.000	0.000	0.000
481	A	481	LYS	1	0.876	0.927	47.142	0.009	0.009	0.000	0.000	0.000	0.000
482	A	482	LYS	1	0.851	0.916	46.400	0.005	0.005	0.000	0.000	0.000	0.000
483	A	483	ALA	0	-0.015	0.002	45.873	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	484	SER	0	-0.020	-0.016	47.950	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	485	GLN	0	0.056	0.048	50.272	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	486	LYS	1	0.906	0.970	49.060	0.028	0.028	0.000	0.000	0.000	0.000
487	A	487	GLN	0	-0.073	-0.038	49.685	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	488	GLN	0	0.053	0.004	54.200	0.000	0.000	0.000	0.000	0.000	0.000
489	A	489	GLY	0	-0.022	0.008	57.895	0.001	0.001	0.000	0.000	0.000	0.000
490	A	490	PRO	0	0.070	0.024	59.416	0.001	0.001	0.000	0.000	0.000	0.000
491	A	491	GLU	-1	-0.821	-0.902	56.320	-0.026	-0.026	0.000	0.000	0.000	0.000
492	A	492	TRP	0	0.060	0.009	49.648	0.001	0.001	0.000	0.000	0.000	0.000
493	A	493	GLU	-1	-0.910	-0.958	56.631	-0.016	-0.016	0.000	0.000	0.000	0.000
494	A	494	ARG	1	0.805	0.902	59.103	0.025	0.025	0.000	0.000	0.000	0.000
495	A	495	LEU	0	0.008	0.014	52.101	0.001	0.001	0.000	0.000	0.000	0.000
496	A	496	ARG	1	0.832	0.904	51.617	0.021	0.021	0.000	0.000	0.000	0.000
497	A	497	LYS	1	0.983	0.994	57.238	0.013	0.013	0.000	0.000	0.000	0.000
498	A	498	LEU	0	-0.048	-0.010	56.678	0.001	0.001	0.000	0.000	0.000	0.000
499	A	499	LEU	0	0.002	0.009	51.558	0.001	0.001	0.000	0.000	0.000	0.000
500	A	500	GLU	-1	-0.954	-0.959	55.475	-0.009	-0.009	0.000	0.000	0.000	0.000
501	A	501	ARG	1	0.840	0.903	57.377	0.011	0.011	0.000	0.000	0.000	0.000
502	A	502	PRO	0	0.054	0.019	54.137	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	503	ALA	0	-0.023	-0.021	54.086	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	504	GLN	0	-0.020	0.008	55.236	0.000	0.000	0.000	0.000	0.000	0.000
505	A	505	LEU	0	0.002	0.010	51.797	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	506	LYS	1	1.014	1.025	51.649	0.016	0.016	0.000	0.000	0.000	0.000
507	A	507	ASP	-1	-0.812	-0.912	47.231	-0.023	-0.023	0.000	0.000	0.000	0.000
508	A	508	GLU	-1	-0.936	-0.982	49.960	-0.027	-0.027	0.000	0.000	0.000	0.000
509	A	509	ASP	-1	-0.925	-0.964	53.022	-0.020	-0.020	0.000	0.000	0.000	0.000
510	A	510	LEU	0	0.020	-0.003	47.826	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	511	ALA	0	0.000	0.006	49.730	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	512	PRO	0	-0.004	0.002	50.775	-0.002	-0.002	0.000	0.000	0.000	0.000
513	A	513	PHE	0	0.009	-0.001	52.316	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	514	GLU	-1	-0.732	-0.853	45.630	-0.041	-0.041	0.000	0.000	0.000	0.000
515	A	515	GLY	0	-0.014	0.004	48.442	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	516	LEU	0	-0.046	-0.028	50.957	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	517	ILE	0	-0.046	-0.018	44.428	0.000	0.000	0.000	0.000	0.000	0.000
518	A	518	PRO	0	-0.036	0.006	44.395	-0.003	-0.003	0.000	0.000	0.000	0.000
519	A	519	PRO	0	0.053	0.006	40.908	0.000	0.000	0.000	0.000	0.000	0.000
520	A	520	LYS	1	0.919	0.950	39.488	0.065	0.065	0.000	0.000	0.000	0.000
521	A	521	GLY	0	0.085	0.033	37.665	0.003	0.003	0.000	0.000	0.000	0.000
522	A	522	ASN	0	-0.001	0.007	38.515	0.001	0.001	0.000	0.000	0.000	0.000
523	A	523	LEU	0	0.045	0.039	40.273	0.003	0.003	0.000	0.000	0.000	0.000
524	A	524	ARG	1	0.861	0.921	40.608	0.050	0.050	0.000	0.000	0.000	0.000
525	A	525	THR	0	-0.004	-0.025	36.898	0.000	0.000	0.000	0.000	0.000	0.000
526	A	526	ALA	0	0.012	0.005	39.446	0.003	0.003	0.000	0.000	0.000	0.000
527	A	527	TRP	0	-0.071	-0.037	42.355	0.004	0.004	0.000	0.000	0.000	0.000
528	A	528	GLU	-1	-0.794	-0.882	38.638	-0.044	-0.044	0.000	0.000	0.000	0.000
529	A	529	GLY	0	-0.048	-0.016	40.710	0.002	0.002	0.000	0.000	0.000	0.000
530	A	530	LEU	0	-0.015	-0.018	41.533	0.003	0.003	0.000	0.000	0.000	0.000
531	A	531	LYS	1	0.867	0.926	42.994	0.038	0.038	0.000	0.000	0.000	0.000
532	A	532	ARG	1	0.956	0.980	35.326	0.028	0.028	0.000	0.000	0.000	0.000
533	A	533	ALA	0	0.034	0.022	42.179	0.002	0.002	0.000	0.000	0.000	0.000
534	A	534	VAL	0	-0.012	-0.009	44.313	0.002	0.002	0.000	0.000	0.000	0.000
535	A	535	HIS	1	0.810	0.885	42.155	0.026	0.026	0.000	0.000	0.000	0.000
536	A	536	THR	0	0.028	0.003	41.677	0.000	0.000	0.000	0.000	0.000	0.000
537	A	537	LEU	0	-0.001	0.002	44.059	0.002	0.002	0.000	0.000	0.000	0.000
538	A	538	ALA	0	0.012	0.011	47.610	0.002	0.002	0.000	0.000	0.000	0.000
539	A	539	VAL	0	0.013	0.026	43.039	0.001	0.001	0.000	0.000	0.000	0.000
540	A	540	LEU	0	0.020	-0.011	43.668	0.002	0.002	0.000	0.000	0.000	0.000
541	A	541	ARG	1	0.859	0.933	47.115	0.004	0.004	0.000	0.000	0.000	0.000
542	A	542	GLN	0	-0.109	-0.032	47.301	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	543	GLY	0	0.006	0.003	48.929	0.000	0.000	0.000	0.000	0.000	0.000
544	A	544	ILE	0	-0.004	-0.006	42.331	-0.002	-0.002	0.000	0.000	0.000	0.000
545	A	545	PRO	0	-0.062	-0.032	44.991	0.003	0.003	0.000	0.000	0.000	0.000
546	A	546	HIS	0	-0.009	0.020	43.359	0.003	0.003	0.000	0.000	0.000	0.000
547	A	547	GLN	0	0.090	0.022	42.785	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	548	VAL	0	-0.036	-0.003	41.981	0.002	0.002	0.000	0.000	0.000	0.000
549	A	549	LEU	0	-0.036	-0.007	39.088	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	550	ASN	0	-0.015	-0.044	40.954	0.003	0.003	0.000	0.000	0.000	0.000
551	A	551	ALA	0	0.018	-0.006	40.147	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	552	LYS	1	0.842	0.948	42.249	-0.040	-0.040	0.000	0.000	0.000	0.000
553	A	553	HIS	0	-0.004	-0.009	45.952	0.002	0.002	0.000	0.000	0.000	0.000
554	A	554	HIS	0	0.046	0.001	40.013	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	555	ALA	0	0.011	0.012	42.791	0.000	0.000	0.000	0.000	0.000	0.000
556	A	556	ARG	1	0.976	0.982	44.819	-0.032	-0.032	0.000	0.000	0.000	0.000
557	A	557	GLU	-1	-0.769	-0.892	41.936	0.047	0.047	0.000	0.000	0.000	0.000
558	A	558	ALA	0	0.024	0.027	40.123	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	559	GLU	-1	-0.834	-0.931	40.541	0.033	0.033	0.000	0.000	0.000	0.000
560	A	560	ILE	0	-0.082	-0.041	42.065	-0.004	-0.004	0.000	0.000	0.000	0.000
561	A	561	VAL	0	-0.056	-0.020	36.455	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	562	ALA	0	-0.009	0.004	37.694	-0.002	-0.002	0.000	0.000	0.000	0.000
563	A	563	GLN	0	0.031	0.012	38.321	-0.006	-0.006	0.000	0.000	0.000	0.000
564	A	564	ALA	0	-0.023	-0.014	36.496	-0.004	-0.004	0.000	0.000	0.000	0.000
565	A	565	GLY	0	-0.036	-0.020	35.251	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	566	ARG	1	0.806	0.885	35.965	0.000	0.000	0.000	0.000	0.000	0.000
567	A	567	SER	0	-0.010	-0.031	38.057	0.003	0.003	0.000	0.000	0.000	0.000
568	A	568	LYS	1	0.950	0.981	38.778	0.012	0.012	0.000	0.000	0.000	0.000
569	A	569	THR	0	-0.039	-0.019	38.916	0.002	0.002	0.000	0.000	0.000	0.000
570	A	570	VAL	0	0.021	-0.004	38.519	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	571	THR	0	-0.015	0.004	37.577	0.001	0.001	0.000	0.000	0.000	0.000
572	A	572	ILE	0	-0.025	-0.024	37.491	0.003	0.003	0.000	0.000	0.000	0.000
573	A	573	ALA	0	0.036	0.021	35.611	0.001	0.001	0.000	0.000	0.000	0.000
574	A	574	THR	0	-0.031	-0.030	36.872	0.002	0.002	0.000	0.000	0.000	0.000
575	A	575	ASN	0	0.026	0.010	35.129	0.007	0.007	0.000	0.000	0.000	0.000
576	A	576	MET	0	-0.003	0.000	32.123	0.005	0.005	0.000	0.000	0.000	0.000
577	A	577	ALA	0	0.026	0.017	34.713	0.000	0.000	0.000	0.000	0.000	0.000
578	A	578	GLY	0	0.070	0.045	36.862	0.000	0.000	0.000	0.000	0.000	0.000
579	A	579	ARG	1	0.738	0.820	31.611	-0.129	-0.129	0.000	0.000	0.000	0.000
580	A	580	GLY	0	0.088	0.048	33.672	0.003	0.003	0.000	0.000	0.000	0.000
581	A	581	THR	0	-0.037	-0.002	34.562	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	582	ASP	-1	-0.810	-0.902	31.537	0.053	0.053	0.000	0.000	0.000	0.000
583	A	583	ILE	0	-0.005	0.009	32.465	-0.006	-0.006	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.752	0.863	32.289	-0.030	-0.030	0.000	0.000	0.000	0.000
585	A	585	LEU	0	-0.027	0.000	30.192	0.001	0.001	0.000	0.000	0.000	0.000
586	A	586	GLY	0	0.074	0.020	34.592	-0.006	-0.006	0.000	0.000	0.000	0.000
587	A	587	GLY	0	-0.031	-0.006	37.934	0.001	0.001	0.000	0.000	0.000	0.000
588	A	588	ASN	0	0.003	-0.022	39.334	0.000	0.000	0.000	0.000	0.000	0.000
589	A	589	PRO	0	0.024	-0.013	39.915	0.000	0.000	0.000	0.000	0.000	0.000
590	A	590	GLU	-1	-0.835	-0.910	41.685	0.025	0.025	0.000	0.000	0.000	0.000
591	A	591	TYR	0	0.033	0.002	43.407	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	592	LEU	0	-0.055	-0.007	43.960	-0.002	-0.002	0.000	0.000	0.000	0.000
593	A	593	ALA	0	0.022	0.001	46.244	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	594	ALA	0	-0.009	-0.006	47.740	0.000	0.000	0.000	0.000	0.000	0.000
595	A	595	ALA	0	-0.030	-0.004	49.667	0.000	0.000	0.000	0.000	0.000	0.000
596	A	596	LEU	0	-0.039	-0.038	49.739	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	597	LEU	0	0.000	0.029	50.261	0.001	0.001	0.000	0.000	0.000	0.000
598	A	598	GLU	-1	-0.962	-0.967	53.337	0.009	0.009	0.000	0.000	0.000	0.000
599	A	599	LYS	1	0.853	0.912	55.995	-0.008	-0.008	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.881	-0.936	55.395	0.010	0.010	0.000	0.000	0.000	0.000
601	A	601	GLY	0	0.011	0.008	54.038	0.000	0.000	0.000	0.000	0.000	0.000
602	A	602	PHE	0	0.014	0.003	48.421	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	603	ASP	-1	-0.903	-0.967	50.939	0.032	0.032	0.000	0.000	0.000	0.000
604	A	604	ARG	1	0.982	0.996	51.387	-0.017	-0.017	0.000	0.000	0.000	0.000
605	A	605	TYR	0	-0.060	-0.033	52.523	0.001	0.001	0.000	0.000	0.000	0.000
606	A	606	GLU	-1	-0.683	-0.814	45.612	0.031	0.031	0.000	0.000	0.000	0.000
607	A	607	TRP	0	-0.022	-0.016	46.995	0.000	0.000	0.000	0.000	0.000	0.000
608	A	608	LYS	1	0.789	0.862	47.900	-0.014	-0.014	0.000	0.000	0.000	0.000
609	A	609	VAL	0	0.053	0.025	48.482	-0.002	-0.002	0.000	0.000	0.000	0.000
610	A	610	GLU	-1	-0.784	-0.872	43.593	0.028	0.028	0.000	0.000	0.000	0.000
611	A	611	LEU	0	-0.042	0.018	43.572	-0.003	-0.003	0.000	0.000	0.000	0.000
612	A	612	PHE	0	0.013	-0.004	45.328	-0.004	-0.004	0.000	0.000	0.000	0.000
613	A	613	ILE	0	-0.017	0.001	43.813	-0.003	-0.003	0.000	0.000	0.000	0.000
614	A	614	LYS	1	0.879	0.940	37.083	-0.009	-0.009	0.000	0.000	0.000	0.000
615	A	615	LYS	1	0.849	0.910	41.672	-0.006	-0.006	0.000	0.000	0.000	0.000
616	A	616	MET	0	0.016	0.020	44.071	-0.004	-0.004	0.000	0.000	0.000	0.000
617	A	617	VAL	0	-0.016	-0.017	39.915	-0.004	-0.004	0.000	0.000	0.000	0.000
618	A	618	ALA	0	-0.084	-0.036	39.792	-0.004	-0.004	0.000	0.000	0.000	0.000
619	A	619	GLY	0	-0.039	-0.013	40.763	-0.005	-0.005	0.000	0.000	0.000	0.000
620	A	620	LYS	1	0.868	0.929	40.363	0.009	0.009	0.000	0.000	0.000	0.000
621	A	621	GLU	-1	-0.805	-0.880	45.237	-0.015	-0.015	0.000	0.000	0.000	0.000
622	A	622	GLU	-1	-0.854	-0.945	46.146	-0.017	-0.017	0.000	0.000	0.000	0.000
623	A	623	GLU	-1	-0.821	-0.902	43.557	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	624	ALA	0	-0.018	-0.012	47.572	0.003	0.003	0.000	0.000	0.000	0.000
625	A	625	ARG	1	0.860	0.907	49.091	0.015	0.015	0.000	0.000	0.000	0.000
626	A	626	ALA	0	-0.001	0.004	51.578	0.001	0.001	0.000	0.000	0.000	0.000
627	A	627	LEU	0	0.009	-0.002	47.635	0.001	0.001	0.000	0.000	0.000	0.000
628	A	628	ALA	0	0.014	0.002	52.187	0.001	0.001	0.000	0.000	0.000	0.000
629	A	629	GLN	0	-0.058	-0.024	54.244	0.000	0.000	0.000	0.000	0.000	0.000
630	A	630	GLU	-1	-0.859	-0.895	53.420	0.011	0.011	0.000	0.000	0.000	0.000
631	A	631	LEU	0	-0.042	-0.008	52.027	0.002	0.002	0.000	0.000	0.000	0.000
632	A	632	GLY	0	0.009	0.006	56.625	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	633	ILE	0	-0.037	-0.023	52.600	0.000	0.000	0.000	0.000	0.000	0.000
634	A	634	ARG	1	0.931	0.967	56.792	-0.002	-0.002	0.000	0.000	0.000	0.000
635	A	635	GLU	-1	-0.793	-0.924	56.221	-0.009	-0.009	0.000	0.000	0.000	0.000
636	A	636	GLU	-1	-0.970	-0.967	56.261	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	637	LEU	0	0.016	0.003	54.287	0.000	0.000	0.000	0.000	0.000	0.000
638	A	638	LEU	0	-0.007	-0.014	51.311	0.000	0.000	0.000	0.000	0.000	0.000
639	A	639	GLU	-1	-0.851	-0.911	51.575	-0.015	-0.015	0.000	0.000	0.000	0.000
640	A	640	ARG	1	0.894	0.954	49.037	0.004	0.004	0.000	0.000	0.000	0.000
641	A	641	ILE	0	0.009	0.002	47.296	0.000	0.000	0.000	0.000	0.000	0.000
642	A	642	ARG	1	0.847	0.902	47.285	0.012	0.012	0.000	0.000	0.000	0.000
643	A	643	GLU	-1	-0.879	-0.923	47.382	-0.012	-0.012	0.000	0.000	0.000	0.000
644	A	644	ILE	0	-0.012	-0.006	44.976	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	645	ARG	1	0.767	0.847	42.821	0.020	0.020	0.000	0.000	0.000	0.000
646	A	646	GLU	-1	-0.801	-0.888	42.711	-0.027	-0.027	0.000	0.000	0.000	0.000
647	A	647	GLU	-1	-0.856	-0.888	43.894	-0.011	-0.011	0.000	0.000	0.000	0.000
648	A	648	CYS	0	-0.042	-0.042	40.215	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	LYS	1	0.936	0.982	37.343	0.027	0.027	0.000	0.000	0.000	0.000
650	A	650	GLN	0	0.031	0.000	38.253	-0.003	-0.003	0.000	0.000	0.000	0.000
651	A	651	ASP	-1	-0.774	-0.838	39.446	-0.017	-0.017	0.000	0.000	0.000	0.000
652	A	652	GLU	-1	-0.917	-0.948	33.364	-0.038	-0.038	0.000	0.000	0.000	0.000
653	A	653	GLU	-1	-0.995	-1.011	34.531	-0.053	-0.053	0.000	0.000	0.000	0.000
654	A	654	ARG	1	0.924	0.956	35.161	0.023	0.023	0.000	0.000	0.000	0.000
655	A	655	VAL	0	0.028	0.010	32.778	-0.003	-0.003	0.000	0.000	0.000	0.000
656	A	656	ARG	1	0.821	0.915	29.096	0.059	0.059	0.000	0.000	0.000	0.000
657	A	657	ALA	0	-0.025	-0.009	30.396	-0.010	-0.010	0.000	0.000	0.000	0.000
658	A	658	LEU	0	-0.025	0.001	32.165	-0.005	-0.005	0.000	0.000	0.000	0.000
659	A	659	GLY	0	-0.072	-0.024	29.145	0.003	0.003	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.036	0.005	28.476	-0.004	-0.004	0.000	0.000	0.000	0.000
661	A	661	LEU	0	-0.016	-0.019	29.504	0.001	0.001	0.000	0.000	0.000	0.000
662	A	662	PHE	0	-0.025	-0.017	27.077	-0.002	-0.002	0.000	0.000	0.000	0.000
663	A	663	ILE	0	-0.001	0.014	28.100	0.000	0.000	0.000	0.000	0.000	0.000
664	A	664	ILE	0	-0.012	-0.005	28.924	0.000	0.000	0.000	0.000	0.000	0.000
665	A	665	GLY	0	0.024	0.015	29.806	0.002	0.002	0.000	0.000	0.000	0.000
666	A	666	THR	0	-0.030	-0.040	30.876	-0.006	-0.006	0.000	0.000	0.000	0.000
667	A	667	GLU	-1	-0.838	-0.922	32.165	0.071	0.071	0.000	0.000	0.000	0.000
668	A	668	ARG	1	0.738	0.829	22.762	-0.175	-0.175	0.000	0.000	0.000	0.000
669	A	669	HIS	0	0.067	0.026	29.162	0.002	0.002	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.854	-0.923	29.354	0.145	0.145	0.000	0.000	0.000	0.000
671	A	671	SER	0	-0.014	-0.054	25.223	0.013	0.013	0.000	0.000	0.000	0.000
672	A	672	ARG	1	0.903	0.950	18.437	-0.424	-0.424	0.000	0.000	0.000	0.000
673	A	673	ARG	1	0.753	0.835	23.343	-0.261	-0.261	0.000	0.000	0.000	0.000
674	A	674	ILE	0	-0.013	-0.001	24.209	-0.015	-0.015	0.000	0.000	0.000	0.000
675	A	675	ASP	-1	-0.800	-0.891	24.748	0.168	0.168	0.000	0.000	0.000	0.000
676	A	676	ASN	0	-0.014	-0.021	20.038	-0.034	-0.034	0.000	0.000	0.000	0.000
677	A	677	GLN	0	-0.015	-0.002	23.473	-0.026	-0.026	0.000	0.000	0.000	0.000
678	A	678	LEU	0	-0.017	-0.008	26.106	-0.017	-0.017	0.000	0.000	0.000	0.000
679	A	679	ARG	1	0.874	0.933	22.106	-0.173	-0.173	0.000	0.000	0.000	0.000
680	A	680	GLY	0	0.012	-0.002	23.872	-0.013	-0.013	0.000	0.000	0.000	0.000
681	A	681	ARG	1	0.872	0.947	24.809	-0.094	-0.094	0.000	0.000	0.000	0.000
682	A	682	ALA	0	-0.011	0.006	26.385	-0.015	-0.015	0.000	0.000	0.000	0.000
683	A	683	GLY	0	-0.008	-0.007	24.295	0.009	0.009	0.000	0.000	0.000	0.000
684	A	684	ARG	1	0.795	0.884	23.798	-0.012	-0.012	0.000	0.000	0.000	0.000
685	A	685	GLN	0	0.038	0.025	24.112	-0.007	-0.007	0.000	0.000	0.000	0.000
686	A	686	GLY	0	-0.039	-0.015	22.411	-0.014	-0.014	0.000	0.000	0.000	0.000
687	A	687	ASP	-1	-0.865	-0.936	23.477	-0.029	-0.029	0.000	0.000	0.000	0.000
688	A	688	PRO	0	-0.017	0.006	24.447	0.004	0.004	0.000	0.000	0.000	0.000
689	A	689	GLY	0	0.054	0.007	25.266	0.013	0.013	0.000	0.000	0.000	0.000
690	A	690	GLY	0	-0.056	-0.007	24.301	-0.007	-0.007	0.000	0.000	0.000	0.000
691	A	691	SER	0	-0.010	-0.029	23.458	0.009	0.009	0.000	0.000	0.000	0.000
692	A	692	ARG	1	0.886	0.951	25.130	-0.013	-0.013	0.000	0.000	0.000	0.000
693	A	693	PHE	0	0.003	0.019	25.837	0.000	0.000	0.000	0.000	0.000	0.000
694	A	694	TYR	0	-0.060	-0.052	28.212	-0.011	-0.011	0.000	0.000	0.000	0.000
695	A	695	VAL	0	0.003	-0.007	28.359	0.009	0.009	0.000	0.000	0.000	0.000
696	A	696	SER	0	-0.004	-0.032	31.751	-0.011	-0.011	0.000	0.000	0.000	0.000
697	A	697	PHE	0	-0.031	-0.020	31.972	0.006	0.006	0.000	0.000	0.000	0.000
698	A	698	ASP	-1	-0.793	-0.894	35.252	0.049	0.049	0.000	0.000	0.000	0.000
699	A	699	ASP	-1	-0.858	-0.884	33.732	0.080	0.080	0.000	0.000	0.000	0.000
700	A	700	ASP	-1	-0.748	-0.878	35.825	0.081	0.081	0.000	0.000	0.000	0.000
701	A	701	LEU	0	0.006	0.016	28.635	0.002	0.002	0.000	0.000	0.000	0.000
702	A	702	MET	0	-0.014	-0.019	30.364	0.009	0.009	0.000	0.000	0.000	0.000
703	A	703	ARG	1	0.828	0.889	33.440	-0.075	-0.075	0.000	0.000	0.000	0.000
704	A	704	LEU	0	-0.039	0.000	35.900	0.000	0.000	0.000	0.000	0.000	0.000
705	A	705	PHE	0	-0.002	-0.018	31.904	0.006	0.006	0.000	0.000	0.000	0.000
706	A	706	ALA	0	0.013	0.025	31.458	0.010	0.010	0.000	0.000	0.000	0.000
707	A	707	SER	0	-0.059	-0.039	31.835	-0.004	-0.004	0.000	0.000	0.000	0.000
708	A	708	ASP	-1	-0.760	-0.881	33.574	0.085	0.085	0.000	0.000	0.000	0.000
709	A	709	ARG	1	0.924	0.971	30.119	-0.086	-0.086	0.000	0.000	0.000	0.000
710	A	710	VAL	0	-0.075	-0.056	30.394	-0.005	-0.005	0.000	0.000	0.000	0.000
711	A	711	ILE	0	0.026	0.035	33.486	-0.006	-0.006	0.000	0.000	0.000	0.000
712	A	712	ALA	0	0.004	0.012	36.115	-0.005	-0.005	0.000	0.000	0.000	0.000
713	A	713	MET	0	-0.079	-0.058	33.949	-0.006	-0.006	0.000	0.000	0.000	0.000
714	A	714	LEU	0	-0.006	-0.004	31.092	-0.005	-0.005	0.000	0.000	0.000	0.000
715	A	715	ASP	-1	-0.804	-0.892	34.968	0.036	0.036	0.000	0.000	0.000	0.000
716	A	716	ARG	1	0.935	0.969	38.550	-0.046	-0.046	0.000	0.000	0.000	0.000
717	A	717	MET	0	-0.106	-0.040	32.351	-0.003	-0.003	0.000	0.000	0.000	0.000
718	A	718	GLY	0	-0.011	0.006	36.816	-0.004	-0.004	0.000	0.000	0.000	0.000
719	A	719	PHE	0	-0.008	-0.022	31.635	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	720	ASP	-1	-0.904	-0.961	36.999	0.002	0.002	0.000	0.000	0.000	0.000
721	A	721	ASP	-1	-0.939	-0.975	37.895	0.011	0.011	0.000	0.000	0.000	0.000
722	A	722	SER	0	-0.044	-0.018	39.557	0.001	0.001	0.000	0.000	0.000	0.000
723	A	723	GLU	-1	-0.809	-0.872	35.885	-0.011	-0.011	0.000	0.000	0.000	0.000
724	A	724	PRO	0	-0.041	-0.018	31.311	0.004	0.004	0.000	0.000	0.000	0.000
725	A	725	ILE	0	-0.007	0.014	30.320	-0.003	-0.003	0.000	0.000	0.000	0.000
726	A	726	GLU	-1	-0.942	-0.965	26.070	-0.011	-0.011	0.000	0.000	0.000	0.000
727	A	727	HIS	0	0.059	0.009	27.243	-0.001	-0.001	0.000	0.000	0.000	0.000
728	A	728	PRO	0	0.022	0.012	23.482	0.013	0.013	0.000	0.000	0.000	0.000
729	A	729	MET	0	-0.044	-0.017	24.883	0.020	0.020	0.000	0.000	0.000	0.000
730	A	730	VAL	0	0.066	0.048	27.434	0.012	0.012	0.000	0.000	0.000	0.000
731	A	731	THR	0	0.053	0.026	22.563	0.012	0.012	0.000	0.000	0.000	0.000
732	A	732	ARG	1	0.889	0.943	20.996	-0.051	-0.051	0.000	0.000	0.000	0.000
733	A	733	SER	0	-0.032	-0.048	24.028	0.018	0.018	0.000	0.000	0.000	0.000
734	A	734	ILE	0	0.063	0.029	25.812	0.009	0.009	0.000	0.000	0.000	0.000
735	A	735	GLU	-1	-0.798	-0.864	20.688	0.218	0.218	0.000	0.000	0.000	0.000
736	A	736	ARG	1	0.877	0.935	21.127	-0.152	-0.152	0.000	0.000	0.000	0.000
737	A	737	ALA	0	-0.006	0.010	24.540	0.006	0.006	0.000	0.000	0.000	0.000
738	A	738	GLN	0	0.010	-0.007	24.542	0.018	0.018	0.000	0.000	0.000	0.000
739	A	739	LYS	1	0.848	0.909	20.642	-0.305	-0.305	0.000	0.000	0.000	0.000
740	A	740	ARG	1	0.926	0.973	24.794	-0.146	-0.146	0.000	0.000	0.000	0.000
741	A	741	VAL	0	0.008	0.005	27.951	0.000	0.000	0.000	0.000	0.000	0.000
742	A	742	GLU	-1	-0.742	-0.808	23.193	0.309	0.309	0.000	0.000	0.000	0.000
743	A	743	ASP	-1	-0.800	-0.897	24.579	0.281	0.281	0.000	0.000	0.000	0.000
744	A	744	ARG	1	0.889	0.957	27.453	-0.146	-0.146	0.000	0.000	0.000	0.000
745	A	745	ASN	0	0.000	-0.021	30.473	-0.013	-0.013	0.000	0.000	0.000	0.000
746	A	746	PHE	0	-0.016	0.010	27.373	-0.004	-0.004	0.000	0.000	0.000	0.000
747	A	747	ALA	0	0.004	-0.005	29.768	-0.004	-0.004	0.000	0.000	0.000	0.000
748	A	748	ILE	0	-0.034	-0.025	32.071	-0.006	-0.006	0.000	0.000	0.000	0.000
749	A	749	ARG	1	0.865	0.938	28.200	-0.233	-0.233	0.000	0.000	0.000	0.000
750	A	750	LYS	1	0.895	0.956	30.628	-0.202	-0.202	0.000	0.000	0.000	0.000
751	A	751	GLN	0	-0.020	-0.027	33.436	-0.008	-0.008	0.000	0.000	0.000	0.000
752	A	752	LEU	0	-0.003	0.013	36.809	-0.007	-0.007	0.000	0.000	0.000	0.000
753	A	753	LEU	0	0.014	0.006	33.820	-0.006	-0.006	0.000	0.000	0.000	0.000
754	A	754	GLN	0	0.004	0.003	35.494	0.009	0.009	0.000	0.000	0.000	0.000
755	A	755	PHE	0	0.012	0.001	38.215	-0.004	-0.004	0.000	0.000	0.000	0.000
756	A	756	ASP	-1	-0.774	-0.898	40.925	0.110	0.110	0.000	0.000	0.000	0.000
757	A	757	ASP	-1	-0.797	-0.872	38.224	0.158	0.158	0.000	0.000	0.000	0.000
758	A	758	VAL	0	-0.084	-0.039	40.574	-0.002	-0.002	0.000	0.000	0.000	0.000
759	A	759	LEU	0	0.044	0.015	43.530	-0.003	-0.003	0.000	0.000	0.000	0.000
760	A	760	SER	0	-0.002	0.015	41.658	-0.006	-0.006	0.000	0.000	0.000	0.000
761	A	761	ARG	1	0.896	0.942	39.132	-0.141	-0.141	0.000	0.000	0.000	0.000
762	A	762	GLN	0	0.033	0.026	45.639	-0.006	-0.006	0.000	0.000	0.000	0.000
763	A	763	ARG	1	0.765	0.865	42.526	-0.116	-0.116	0.000	0.000	0.000	0.000
764	A	764	GLU	-1	-0.972	-0.989	44.667	0.111	0.111	0.000	0.000	0.000	0.000
765	A	765	VAL	0	0.024	0.014	47.864	-0.003	-0.003	0.000	0.000	0.000	0.000
766	A	766	ILE	0	0.061	0.030	51.166	-0.002	-0.002	0.000	0.000	0.000	0.000
767	A	767	TYR	0	-0.041	-0.028	48.976	-0.002	-0.002	0.000	0.000	0.000	0.000
768	A	768	ALA	0	0.002	0.002	50.531	-0.003	-0.003	0.000	0.000	0.000	0.000
769	A	769	GLN	0	-0.016	-0.008	52.539	-0.002	-0.002	0.000	0.000	0.000	0.000
770	A	770	ARG	1	0.884	0.936	55.389	-0.067	-0.067	0.000	0.000	0.000	0.000
771	A	771	ARG	1	0.895	0.928	48.005	-0.087	-0.087	0.000	0.000	0.000	0.000
772	A	772	LEU	0	0.007	0.023	55.644	-0.002	-0.002	0.000	0.000	0.000	0.000
773	A	773	ILE	0	0.024	0.003	57.204	-0.002	-0.002	0.000	0.000	0.000	0.000
774	A	774	LEU	0	-0.026	-0.017	57.879	-0.002	-0.002	0.000	0.000	0.000	0.000
775	A	775	LEU	0	-0.101	-0.037	54.514	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	776	GLY	0	-0.025	-0.024	58.247	-0.002	-0.002	0.000	0.000	0.000	0.000
777	A	777	LYS	1	0.858	0.918	56.640	-0.063	-0.063	0.000	0.000	0.000	0.000
778	A	778	ASP	-1	-0.788	-0.889	61.371	0.046	0.046	0.000	0.000	0.000	0.000
779	A	779	GLU	-1	-0.933	-0.948	62.810	0.049	0.049	0.000	0.000	0.000	0.000
780	A	780	GLU	-1	-0.777	-0.902	57.533	0.064	0.064	0.000	0.000	0.000	0.000
781	A	781	VAL	0	-0.122	-0.045	61.577	0.001	0.001	0.000	0.000	0.000	0.000
782	A	782	LYS	1	0.792	0.835	63.557	-0.043	-0.043	0.000	0.000	0.000	0.000
783	A	783	GLU	-1	-0.928	-0.950	62.927	0.052	0.052	0.000	0.000	0.000	0.000
784	A	784	ALA	0	-0.023	-0.016	60.913	0.000	0.000	0.000	0.000	0.000	0.000
785	A	785	ALA	0	-0.038	-0.024	62.752	0.000	0.000	0.000	0.000	0.000	0.000
786	A	786	ILE	0	0.011	0.004	65.865	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	787	GLY	0	0.081	0.051	63.880	0.000	0.000	0.000	0.000	0.000	0.000
788	A	788	MET	0	-0.084	-0.036	62.987	0.001	0.001	0.000	0.000	0.000	0.000
789	A	789	VAL	0	-0.031	0.002	65.255	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	790	GLU	-1	-0.903	-0.960	66.117	0.052	0.052	0.000	0.000	0.000	0.000
791	A	791	GLU	-1	-0.792	-0.875	61.165	0.063	0.063	0.000	0.000	0.000	0.000
792	A	792	THR	0	-0.066	-0.028	65.637	0.000	0.000	0.000	0.000	0.000	0.000
793	A	793	VAL	0	0.005	-0.009	67.711	0.000	0.000	0.000	0.000	0.000	0.000
794	A	794	ALA	0	0.043	0.031	67.279	-0.001	-0.001	0.000	0.000	0.000	0.000
795	A	795	SER	0	0.034	0.006	65.356	0.000	0.000	0.000	0.000	0.000	0.000
796	A	796	LEU	0	-0.095	-0.027	67.729	-0.001	-0.001	0.000	0.000	0.000	0.000
797	A	797	ALA	0	0.031	0.004	70.602	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	798	GLU	-1	-0.846	-0.931	67.354	0.051	0.051	0.000	0.000	0.000	0.000
799	A	799	ASN	0	-0.045	-0.004	69.322	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	PHE	0	-0.036	-0.034	70.353	0.000	0.000	0.000	0.000	0.000	0.000
801	A	801	LEU	0	0.008	0.015	73.489	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	802	ASN	0	-0.046	-0.035	68.770	-0.002	-0.002	0.000	0.000	0.000	0.000
803	A	803	PRO	0	0.003	0.024	71.834	0.001	0.001	0.000	0.000	0.000	0.000
804	A	804	GLU	-1	-0.891	-0.968	71.075	0.046	0.046	0.000	0.000	0.000	0.000
805	A	805	VAL	0	-0.113	-0.028	74.207	-0.001	-0.001	0.000	0.000	0.000	0.000
806	A	806	HIS	0	-0.010	-0.047	75.928	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	PRO	0	0.002	0.024	79.174	0.000	0.000	0.000	0.000	0.000	0.000
808	A	808	GLU	-1	-1.001	-1.014	81.613	0.034	0.034	0.000	0.000	0.000	0.000
809	A	809	ASP	-1	-0.857	-0.946	78.086	0.037	0.037	0.000	0.000	0.000	0.000
810	A	810	TRP	0	0.002	0.010	75.275	-0.001	-0.001	0.000	0.000	0.000	0.000
811	A	811	ASP	-1	-0.840	-0.918	79.445	0.034	0.034	0.000	0.000	0.000	0.000
812	A	812	LEU	0	0.009	0.014	81.368	0.000	0.000	0.000	0.000	0.000	0.000
813	A	813	GLU	-1	-0.868	-0.962	77.905	0.036	0.036	0.000	0.000	0.000	0.000
814	A	814	GLY	0	0.031	0.013	77.000	0.001	0.001	0.000	0.000	0.000	0.000
815	A	815	LEU	0	-0.035	-0.002	78.019	0.000	0.000	0.000	0.000	0.000	0.000
816	A	816	LYS	1	0.821	0.925	79.953	-0.035	-0.035	0.000	0.000	0.000	0.000
817	A	817	ALA	0	0.028	0.013	74.678	0.000	0.000	0.000	0.000	0.000	0.000
818	A	818	THR	0	0.047	0.011	75.258	0.001	0.001	0.000	0.000	0.000	0.000
819	A	819	LEU	0	-0.014	-0.006	76.690	0.000	0.000	0.000	0.000	0.000	0.000
820	A	820	LEU	0	-0.101	-0.037	74.695	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	821	ASP	-1	-0.756	-0.882	71.983	0.044	0.044	0.000	0.000	0.000	0.000
822	A	822	THR	0	0.001	-0.011	74.627	0.001	0.001	0.000	0.000	0.000	0.000
823	A	823	ALA	0	-0.047	-0.009	77.183	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	824	PRO	0	-0.009	-0.003	79.192	-0.001	-0.001	0.000	0.000	0.000	0.000
825	A	825	GLN	0	0.005	-0.001	81.758	0.000	0.000	0.000	0.000	0.000	0.000
826	A	826	LEU	0	0.013	-0.004	80.726	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	827	GLN	0	0.019	-0.006	84.226	0.001	0.001	0.000	0.000	0.000	0.000
828	A	828	ASP	-1	-0.871	-0.915	86.533	0.029	0.029	0.000	0.000	0.000	0.000
829	A	829	PHE	0	-0.024	-0.022	86.462	0.000	0.000	0.000	0.000	0.000	0.000
830	A	830	PRO	0	0.018	0.028	82.202	0.000	0.000	0.000	0.000	0.000	0.000
831	A	831	PHE	0	0.028	0.015	83.612	0.000	0.000	0.000	0.000	0.000	0.000
832	A	832	ALA	0	-0.027	-0.009	85.351	0.000	0.000	0.000	0.000	0.000	0.000
833	A	833	GLU	-1	-0.853	-0.941	81.347	0.034	0.034	0.000	0.000	0.000	0.000
834	A	834	LEU	0	0.023	0.018	78.478	0.001	0.001	0.000	0.000	0.000	0.000
835	A	835	ARG	1	0.840	0.940	80.986	-0.033	-0.033	0.000	0.000	0.000	0.000
836	A	836	ALA	0	-0.058	-0.029	83.456	0.000	0.000	0.000	0.000	0.000	0.000
837	A	837	LEU	0	-0.108	-0.052	79.557	0.000	0.000	0.000	0.000	0.000	0.000
838	A	838	LYS	1	0.851	0.901	72.785	-0.043	-0.043	0.000	0.000	0.000	0.000
839	A	839	ALA	0	0.045	0.051	72.658	0.000	0.000	0.000	0.000	0.000	0.000
840	A	840	GLU	-1	-0.936	-0.958	72.153	0.042	0.042	0.000	0.000	0.000	0.000
841	A	841	GLU	-1	-0.952	-0.971	73.363	0.041	0.041	0.000	0.000	0.000	0.000
842	A	842	ALA	0	0.014	-0.001	74.854	-0.001	-0.001	0.000	0.000	0.000	0.000
843	A	843	VAL	0	-0.024	-0.027	69.420	0.000	0.000	0.000	0.000	0.000	0.000
844	A	844	GLU	-1	-0.883	-0.944	70.003	0.049	0.049	0.000	0.000	0.000	0.000
845	A	845	ARG	1	0.828	0.919	73.253	-0.037	-0.037	0.000	0.000	0.000	0.000
846	A	846	LEU	0	-0.064	-0.030	74.593	-0.001	-0.001	0.000	0.000	0.000	0.000
847	A	847	VAL	0	0.043	0.023	70.331	-0.001	-0.001	0.000	0.000	0.000	0.000
848	A	848	GLU	-1	-0.840	-0.913	73.380	0.038	0.038	0.000	0.000	0.000	0.000
849	A	849	ALA	0	-0.040	-0.021	75.879	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	850	ALA	0	-0.009	-0.009	74.083	-0.001	-0.001	0.000	0.000	0.000	0.000
851	A	851	LEU	0	0.033	0.012	71.313	0.000	0.000	0.000	0.000	0.000	0.000
852	A	852	LYS	1	0.808	0.902	75.209	-0.037	-0.037	0.000	0.000	0.000	0.000
853	A	853	ALA	0	0.005	0.009	78.356	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	854	TYR	0	0.056	0.015	70.598	0.000	0.000	0.000	0.000	0.000	0.000
855	A	855	GLU	-1	-0.813	-0.901	76.131	0.037	0.037	0.000	0.000	0.000	0.000
856	A	856	ALA	0	-0.028	-0.011	77.742	-0.001	-0.001	0.000	0.000	0.000	0.000
857	A	857	ARG	1	0.816	0.886	76.399	-0.037	-0.037	0.000	0.000	0.000	0.000
858	A	858	GLU	-1	-0.913	-0.958	73.295	0.040	0.040	0.000	0.000	0.000	0.000
859	A	859	ALA	0	-0.036	-0.039	77.681	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	860	GLU	-1	-0.930	-0.929	80.838	0.033	0.033	0.000	0.000	0.000	0.000
861	A	861	LEU	0	-0.041	-0.008	76.170	-0.001	-0.001	0.000	0.000	0.000	0.000
862	A	862	SER	0	0.001	-0.012	77.988	0.001	0.001	0.000	0.000	0.000	0.000
863	A	863	PRO	0	0.128	0.067	74.415	0.001	0.001	0.000	0.000	0.000	0.000
864	A	864	PRO	0	-0.099	-0.055	72.536	0.001	0.001	0.000	0.000	0.000	0.000
865	A	865	LEU	0	0.039	0.012	72.346	0.001	0.001	0.000	0.000	0.000	0.000
866	A	866	MET	0	0.019	0.064	72.818	0.001	0.001	0.000	0.000	0.000	0.000
867	A	867	ARG	1	0.923	0.946	68.261	-0.041	-0.041	0.000	0.000	0.000	0.000
868	A	868	ALA	0	-0.063	-0.021	68.725	0.001	0.001	0.000	0.000	0.000	0.000
869	A	869	VAL	0	0.021	0.008	69.790	0.001	0.001	0.000	0.000	0.000	0.000
870	A	870	GLU	-1	-0.740	-0.863	67.089	0.047	0.047	0.000	0.000	0.000	0.000
871	A	871	ARG	1	0.849	0.927	63.821	-0.047	-0.047	0.000	0.000	0.000	0.000
872	A	872	PHE	0	-0.011	-0.014	65.467	0.002	0.002	0.000	0.000	0.000	0.000
873	A	873	VAL	0	0.011	-0.012	67.322	0.001	0.001	0.000	0.000	0.000	0.000
874	A	874	ILE	0	0.047	0.021	62.101	0.001	0.001	0.000	0.000	0.000	0.000
875	A	875	LEU	0	-0.054	-0.018	60.363	0.002	0.002	0.000	0.000	0.000	0.000
876	A	876	ASN	0	-0.026	-0.010	62.587	0.002	0.002	0.000	0.000	0.000	0.000
877	A	877	VAL	0	0.066	0.039	63.562	0.000	0.000	0.000	0.000	0.000	0.000
878	A	878	VAL	0	0.032	0.002	58.146	0.001	0.001	0.000	0.000	0.000	0.000
879	A	879	ASP	-1	-0.838	-0.902	58.820	0.061	0.061	0.000	0.000	0.000	0.000
880	A	880	ASN	0	-0.007	0.005	59.895	0.001	0.001	0.000	0.000	0.000	0.000
881	A	881	ALA	0	0.046	0.019	60.474	0.000	0.000	0.000	0.000	0.000	0.000
882	A	882	TRP	0	-0.033	-0.032	50.491	0.003	0.003	0.000	0.000	0.000	0.000
883	A	883	LYS	1	0.827	0.911	56.266	-0.056	-0.056	0.000	0.000	0.000	0.000
884	A	884	GLU	-1	-0.771	-0.867	57.406	0.058	0.058	0.000	0.000	0.000	0.000
885	A	885	HIS	0	-0.052	-0.038	51.646	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	886	LEU	0	-0.047	-0.030	50.904	0.003	0.003	0.000	0.000	0.000	0.000
887	A	887	HIS	0	-0.009	-0.001	52.990	0.002	0.002	0.000	0.000	0.000	0.000
888	A	888	ASN	0	0.005	-0.015	54.709	0.000	0.000	0.000	0.000	0.000	0.000
889	A	889	LEU	0	-0.038	-0.008	49.563	0.002	0.002	0.000	0.000	0.000	0.000
890	A	890	ASP	-1	-0.821	-0.866	49.684	0.087	0.087	0.000	0.000	0.000	0.000
891	A	891	VAL	0	-0.023	-0.025	51.020	0.002	0.002	0.000	0.000	0.000	0.000
892	A	892	LEU	0	0.032	0.018	50.576	0.000	0.000	0.000	0.000	0.000	0.000
893	A	893	ARG	1	0.781	0.898	45.230	-0.096	-0.096	0.000	0.000	0.000	0.000
894	A	894	GLN	0	-0.071	-0.048	47.923	0.002	0.002	0.000	0.000	0.000	0.000
895	A	895	GLY	0	0.076	0.036	49.629	-0.004	-0.004	0.000	0.000	0.000	0.000
896	A	896	ILE	0	-0.061	-0.040	47.909	0.000	0.000	0.000	0.000	0.000	0.000
897	A	897	PHE	0	-0.070	-0.004	45.563	0.002	0.002	0.000	0.000	0.000	0.000
898	A	898	LEU	0	-0.018	0.000	46.550	0.001	0.001	0.000	0.000	0.000	0.000
899	A	899	ARG	1	0.924	0.953	46.670	-0.069	-0.069	0.000	0.000	0.000	0.000
900	A	900	GLY	0	0.055	0.041	47.768	-0.004	-0.004	0.000	0.000	0.000	0.000
901	A	901	TYR	0	-0.032	-0.032	48.516	0.000	0.000	0.000	0.000	0.000	0.000
902	A	902	GLY	0	-0.005	-0.020	45.831	0.003	0.003	0.000	0.000	0.000	0.000
903	A	903	GLN	0	-0.031	-0.011	42.005	0.003	0.003	0.000	0.000	0.000	0.000
904	A	904	LYS	1	0.912	0.970	41.957	-0.096	-0.096	0.000	0.000	0.000	0.000
905	A	905	ASP	-1	-0.783	-0.876	40.029	0.124	0.124	0.000	0.000	0.000	0.000
906	A	906	PRO	0	0.093	0.027	41.697	-0.001	-0.001	0.000	0.000	0.000	0.000
907	A	907	PHE	0	-0.018	-0.001	39.706	0.000	0.000	0.000	0.000	0.000	0.000
908	A	908	GLN	0	-0.040	-0.018	41.878	-0.006	-0.006	0.000	0.000	0.000	0.000
909	A	909	GLU	-1	-0.794	-0.888	43.821	0.079	0.079	0.000	0.000	0.000	0.000
910	A	910	TYR	0	0.053	0.026	44.836	-0.002	-0.002	0.000	0.000	0.000	0.000
911	A	911	LYS	1	0.928	0.958	40.552	-0.130	-0.130	0.000	0.000	0.000	0.000
912	A	912	ILE	0	-0.043	-0.026	45.803	-0.001	-0.001	0.000	0.000	0.000	0.000
913	A	913	GLU	-1	-0.760	-0.859	48.592	0.073	0.073	0.000	0.000	0.000	0.000
914	A	914	ALA	0	-0.014	0.002	47.974	-0.002	-0.002	0.000	0.000	0.000	0.000
915	A	915	THR	0	-0.066	-0.053	47.950	-0.001	-0.001	0.000	0.000	0.000	0.000
916	A	916	ARG	1	0.803	0.898	50.310	-0.071	-0.071	0.000	0.000	0.000	0.000
917	A	917	LEU	0	0.060	0.020	53.672	-0.002	-0.002	0.000	0.000	0.000	0.000
918	A	918	PHE	0	0.003	0.006	51.942	-0.002	-0.002	0.000	0.000	0.000	0.000
919	A	919	ASN	0	0.028	0.010	52.456	-0.001	-0.001	0.000	0.000	0.000	0.000
920	A	920	GLU	-1	-0.874	-0.924	55.629	0.062	0.062	0.000	0.000	0.000	0.000
921	A	921	MET	0	-0.030	-0.012	54.989	-0.003	-0.003	0.000	0.000	0.000	0.000
922	A	922	VAL	0	-0.023	-0.019	55.436	-0.002	-0.002	0.000	0.000	0.000	0.000
923	A	923	ALA	0	-0.001	0.014	58.617	-0.002	-0.002	0.000	0.000	0.000	0.000
924	A	924	PHE	0	0.008	-0.004	61.541	-0.001	-0.001	0.000	0.000	0.000	0.000
925	A	925	ILE	0	0.010	0.004	58.667	-0.002	-0.002	0.000	0.000	0.000	0.000
926	A	926	LYS	1	0.778	0.857	58.511	-0.068	-0.068	0.000	0.000	0.000	0.000
927	A	927	SER	0	0.060	0.019	63.749	-0.002	-0.002	0.000	0.000	0.000	0.000
928	A	928	GLU	-1	-0.755	-0.862	66.195	0.046	0.046	0.000	0.000	0.000	0.000
929	A	929	VAL	0	-0.016	-0.015	64.201	-0.002	-0.002	0.000	0.000	0.000	0.000
930	A	930	ALA	0	0.022	0.019	67.398	-0.002	-0.002	0.000	0.000	0.000	0.000
931	A	931	LYN	0	-0.013	-0.004	69.731	-0.002	-0.002	0.000	0.000	0.000	0.000
932	A	932	PHE	0	-0.057	-0.019	69.737	-0.002	-0.002	0.000	0.000	0.000	0.000
933	A	933	LEU	0	-0.043	-0.006	68.374	-0.001	-0.001	0.000	0.000	0.000	0.000
934	A	934	PHE	0	-0.031	-0.024	72.607	-0.002	-0.002	0.000	0.000	0.000	0.000
935	A	935	ARG	1	0.774	0.898	75.477	-0.039	-0.039	0.000	0.000	0.000	0.000
936	A	936	LEU	0	0.003	0.025	73.418	-0.001	-0.001	0.000	0.000	0.000	0.000
937	A	937	LYS	1	0.911	0.945	76.853	-0.032	-0.032	0.000	0.000	0.000	0.000
938	A	938	VAL	0	0.021	0.008	76.453	0.000	0.000	0.000	0.000	0.000	0.000
939	A	939	GLU	-1	-0.967	-0.971	79.000	0.030	0.030	0.000	0.000	0.000	0.000

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