FMO DATABASE

FMODB ID: 859RY

Calculation Name: 1Y2M-C-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1Y2M

Chain ID: C

ChEMBL ID:

UniProt ID: P11544

Base Structure: X-ray

Registration Date: 2023-06-22

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	670
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-14318753.586263
FMO2-HF: Nuclear repulsion	14066031.818799
FMO2-HF: Total energy	-252721.767464
FMO2-MP2: Total energy	-253464.499767

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(C:26:ALA)

Summations of interaction energy for fragment #1(C:26:ALA)

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.
-4.263	2.867	3.111	-4.38	-5.86	-0.013

Interaction energy analysis for fragmet #1(C:26:ALA)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.068 / q_NPA : 0.040

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	C	28	THR	0	0.028	0.009	3.825	-1.268	0.842	-0.016	-1.141	-0.953	0.007
4	C	29	ASN	0	0.000	0.009	6.503	0.668	0.668	0.000	0.000	0.000	0.000
5	C	30	LEU	0	0.103	0.038	8.328	-0.030	-0.030	0.000	0.000	0.000	0.000
6	C	31	ALA	0	-0.020	0.000	10.262	0.099	0.099	0.000	0.000	0.000	0.000
7	C	32	VAL	0	-0.041	-0.027	6.049	0.095	0.095	0.000	0.000	0.000	0.000
8	C	33	ALA	0	0.015	0.002	5.847	0.173	0.173	0.000	0.000	0.000	0.000
9	C	34	GLY	0	0.023	0.020	7.234	0.193	0.193	0.000	0.000	0.000	0.000
10	C	35	SER	0	-0.046	-0.048	10.068	-0.086	-0.086	0.000	0.000	0.000	0.000
11	C	36	HIS	0	0.024	0.006	8.768	-0.004	-0.004	0.000	0.000	0.000	0.000
12	C	37	LEU	0	-0.012	0.002	13.664	0.039	0.039	0.000	0.000	0.000	0.000
13	C	38	PRO	0	0.028	0.021	16.287	-0.031	-0.031	0.000	0.000	0.000	0.000
14	C	39	THR	0	0.025	-0.005	15.114	0.003	0.003	0.000	0.000	0.000	0.000
15	C	40	THR	0	0.017	0.009	18.539	-0.006	-0.006	0.000	0.000	0.000	0.000
16	C	41	GLN	0	-0.038	-0.014	15.691	-0.007	-0.007	0.000	0.000	0.000	0.000
17	C	42	VAL	0	-0.035	-0.007	13.093	-0.053	-0.053	0.000	0.000	0.000	0.000
18	C	43	THR	0	-0.012	-0.014	16.038	0.050	0.050	0.000	0.000	0.000	0.000
19	C	44	GLN	0	0.068	0.008	16.870	-0.014	-0.014	0.000	0.000	0.000	0.000
20	C	45	VAL	0	0.001	-0.001	18.293	0.001	0.001	0.000	0.000	0.000	0.000
21	C	46	ASP	-1	-0.817	-0.872	15.665	-0.330	-0.330	0.000	0.000	0.000	0.000
22	C	47	ILE	0	0.019	-0.004	12.830	-0.026	-0.026	0.000	0.000	0.000	0.000
23	C	48	VAL	0	-0.017	-0.009	14.570	0.006	0.006	0.000	0.000	0.000	0.000
24	C	49	GLU	-1	-0.875	-0.920	17.148	-0.289	-0.289	0.000	0.000	0.000	0.000
25	C	50	LYS	1	0.766	0.865	11.615	0.415	0.415	0.000	0.000	0.000	0.000
26	C	51	MET	0	-0.054	-0.022	12.966	0.019	0.019	0.000	0.000	0.000	0.000
27	C	52	LEU	0	-0.053	-0.036	14.366	0.035	0.035	0.000	0.000	0.000	0.000
28	C	53	ALA	0	-0.020	0.007	14.948	0.018	0.018	0.000	0.000	0.000	0.000
29	C	54	ALA	0	-0.032	0.001	13.399	-0.011	-0.011	0.000	0.000	0.000	0.000
30	C	55	PRO	0	0.010	0.005	13.649	0.024	0.024	0.000	0.000	0.000	0.000
31	C	56	THR	0	0.008	-0.019	16.411	0.021	0.021	0.000	0.000	0.000	0.000
32	C	57	ASP	-1	-0.903	-0.935	19.125	-0.035	-0.035	0.000	0.000	0.000	0.000
33	C	58	SER	0	-0.008	-0.009	17.011	0.014	0.014	0.000	0.000	0.000	0.000
34	C	59	THR	0	-0.028	-0.026	15.649	0.012	0.012	0.000	0.000	0.000	0.000
35	C	60	LEU	0	-0.038	-0.007	10.292	-0.020	-0.020	0.000	0.000	0.000	0.000
36	C	61	GLU	-1	-0.790	-0.893	11.090	0.227	0.227	0.000	0.000	0.000	0.000
37	C	62	LEU	0	-0.055	-0.030	9.796	0.059	0.059	0.000	0.000	0.000	0.000
38	C	63	ASP	-1	-0.739	-0.855	5.757	2.118	2.118	0.000	0.000	0.000	0.000
39	C	64	GLY	0	0.028	0.022	7.889	0.206	0.206	0.000	0.000	0.000	0.000
40	C	65	TYR	0	-0.068	-0.050	3.028	-1.818	-0.718	0.385	-0.500	-0.986	0.005
41	C	66	SER	0	-0.018	-0.055	2.622	-1.812	1.199	1.223	-1.923	-2.310	-0.018
42	C	67	LEU	0	-0.093	-0.011	3.883	-1.110	-1.086	0.000	0.013	-0.036	0.000
43	C	68	ASN	0	0.055	0.025	5.804	0.082	0.082	0.000	0.000	0.000	0.000
44	C	69	LEU	0	0.033	0.000	7.381	0.069	0.069	0.000	0.000	0.000	0.000
45	C	70	GLY	0	0.031	0.016	10.901	0.027	0.027	0.000	0.000	0.000	0.000
46	C	71	ASP	-1	-0.800	-0.891	8.934	-0.016	-0.016	0.000	0.000	0.000	0.000
47	C	72	VAL	0	0.013	0.024	10.935	0.026	0.026	0.000	0.000	0.000	0.000
48	C	73	VAL	0	-0.008	-0.001	13.312	-0.001	-0.001	0.000	0.000	0.000	0.000
49	C	74	SER	0	-0.064	-0.034	14.579	-0.002	-0.002	0.000	0.000	0.000	0.000
50	C	75	ALA	0	0.055	0.024	15.420	-0.004	-0.004	0.000	0.000	0.000	0.000
51	C	76	ALA	0	-0.031	-0.019	17.209	-0.001	-0.001	0.000	0.000	0.000	0.000
52	C	77	ARG	1	0.734	0.799	19.279	-0.035	-0.035	0.000	0.000	0.000	0.000
53	C	78	LYS	1	0.904	0.958	19.849	0.002	0.002	0.000	0.000	0.000	0.000
54	C	79	GLY	0	-0.001	0.018	21.426	-0.008	-0.008	0.000	0.000	0.000	0.000
55	C	80	ARG	1	0.838	0.923	12.490	0.008	0.008	0.000	0.000	0.000	0.000
56	C	81	PRO	0	-0.003	0.003	18.869	0.026	0.026	0.000	0.000	0.000	0.000
57	C	82	VAL	0	-0.003	-0.004	14.591	0.006	0.006	0.000	0.000	0.000	0.000
58	C	83	ARG	1	0.955	0.980	15.342	-0.169	-0.169	0.000	0.000	0.000	0.000
59	C	84	VAL	0	0.042	0.026	13.826	0.053	0.053	0.000	0.000	0.000	0.000
60	C	85	LYS	1	0.817	0.894	9.201	-0.312	-0.312	0.000	0.000	0.000	0.000
61	C	86	ASP	-1	-0.885	-0.916	12.902	0.212	0.212	0.000	0.000	0.000	0.000
62	C	87	SER	0	0.006	-0.010	12.251	-0.050	-0.050	0.000	0.000	0.000	0.000
63	C	88	ASP	-1	-0.808	-0.902	14.985	0.233	0.233	0.000	0.000	0.000	0.000
64	C	89	GLU	-1	-0.840	-0.913	11.096	0.846	0.846	0.000	0.000	0.000	0.000
65	C	90	ILE	0	-0.027	-0.012	9.586	0.045	0.045	0.000	0.000	0.000	0.000
66	C	91	ARG	1	0.875	0.919	13.721	-0.232	-0.232	0.000	0.000	0.000	0.000
67	C	92	SER	0	0.008	0.018	17.388	-0.012	-0.012	0.000	0.000	0.000	0.000
68	C	93	LYS	1	0.823	0.893	11.079	-0.908	-0.908	0.000	0.000	0.000	0.000
69	C	94	ILE	0	-0.019	-0.001	14.976	-0.010	-0.010	0.000	0.000	0.000	0.000
70	C	95	ASP	-1	-0.883	-0.943	17.783	0.261	0.261	0.000	0.000	0.000	0.000
71	C	96	LYS	1	0.846	0.908	18.993	-0.348	-0.348	0.000	0.000	0.000	0.000
72	C	97	SER	0	-0.053	-0.025	18.169	-0.018	-0.018	0.000	0.000	0.000	0.000
73	C	98	VAL	0	-0.021	-0.013	20.305	-0.025	-0.025	0.000	0.000	0.000	0.000
74	C	99	GLU	-1	-0.826	-0.906	23.149	0.156	0.156	0.000	0.000	0.000	0.000
75	C	100	PHE	0	-0.043	-0.024	22.871	-0.017	-0.017	0.000	0.000	0.000	0.000
76	C	101	LEU	0	-0.040	-0.023	23.509	-0.014	-0.014	0.000	0.000	0.000	0.000
77	C	102	ARG	1	0.799	0.902	25.493	-0.178	-0.178	0.000	0.000	0.000	0.000
78	C	103	DSN	0	-0.039	-0.006	28.090	-0.018	-0.018	0.000	0.000	0.000	0.000
79	C	125	GLU	-1	-0.877	-0.963	37.280	0.107	0.107	0.000	0.000	0.000	0.000
80	C	126	ASP	-1	-0.885	-0.926	37.343	0.099	0.099	0.000	0.000	0.000	0.000
81	C	127	ALA	0	-0.001	-0.009	31.846	0.003	0.003	0.000	0.000	0.000	0.000
82	C	128	ILE	0	0.026	0.015	32.571	0.008	0.008	0.000	0.000	0.000	0.000
83	C	129	SER	0	-0.018	-0.025	33.966	0.000	0.000	0.000	0.000	0.000	0.000
84	C	130	LEU	0	-0.006	0.003	31.688	0.000	0.000	0.000	0.000	0.000	0.000
85	C	131	GLN	0	-0.019	-0.021	28.276	0.014	0.014	0.000	0.000	0.000	0.000
86	C	132	LYS	1	0.954	0.979	31.136	-0.107	-0.107	0.000	0.000	0.000	0.000
87	C	133	ALA	0	0.063	0.045	33.911	-0.003	-0.003	0.000	0.000	0.000	0.000
88	C	134	LEU	0	-0.047	-0.022	28.014	0.000	0.000	0.000	0.000	0.000	0.000
89	C	135	LEU	0	-0.028	-0.021	27.953	0.001	0.001	0.000	0.000	0.000	0.000
90	C	136	GLU	-1	-0.961	-0.971	31.412	0.090	0.090	0.000	0.000	0.000	0.000
91	C	137	HIS	0	-0.028	-0.012	31.145	-0.001	-0.001	0.000	0.000	0.000	0.000
92	C	138	GLN	0	0.024	-0.008	28.863	-0.003	-0.003	0.000	0.000	0.000	0.000
93	C	139	LEU	0	-0.080	-0.011	31.076	0.002	0.002	0.000	0.000	0.000	0.000
94	C	140	CYS	0	-0.027	-0.010	33.239	-0.006	-0.006	0.000	0.000	0.000	0.000
95	C	141	GLY	0	0.022	0.017	33.547	-0.004	-0.004	0.000	0.000	0.000	0.000
96	C	142	VAL	0	-0.048	-0.035	34.544	-0.003	-0.003	0.000	0.000	0.000	0.000
97	C	143	LEU	0	0.014	-0.004	33.127	0.002	0.002	0.000	0.000	0.000	0.000
98	C	144	PRO	0	-0.041	-0.007	36.925	-0.002	-0.002	0.000	0.000	0.000	0.000
99	C	145	SER	0	0.023	0.010	39.900	0.002	0.002	0.000	0.000	0.000	0.000
100	C	146	SER	0	0.009	0.004	42.487	0.001	0.001	0.000	0.000	0.000	0.000
101	C	147	PHE	0	0.053	0.014	39.263	0.000	0.000	0.000	0.000	0.000	0.000
102	C	148	ASP	-1	-0.865	-0.923	43.495	0.037	0.037	0.000	0.000	0.000	0.000
103	C	149	SER	0	-0.070	-0.023	43.196	-0.002	-0.002	0.000	0.000	0.000	0.000
104	C	150	PHE	0	0.009	0.006	38.106	-0.001	-0.001	0.000	0.000	0.000	0.000
105	C	151	ARG	1	0.856	0.911	42.991	-0.033	-0.033	0.000	0.000	0.000	0.000
106	C	152	LEU	0	0.042	0.017	42.770	0.001	0.001	0.000	0.000	0.000	0.000
107	C	153	GLY	0	-0.004	-0.002	40.023	-0.001	-0.001	0.000	0.000	0.000	0.000
108	C	154	ARG	1	0.837	0.922	39.545	-0.028	-0.028	0.000	0.000	0.000	0.000
109	C	155	GLY	0	0.035	0.006	39.247	0.000	0.000	0.000	0.000	0.000	0.000
110	C	156	LEU	0	0.015	0.012	33.883	0.003	0.003	0.000	0.000	0.000	0.000
111	C	157	GLU	-1	-0.772	-0.874	34.045	0.044	0.044	0.000	0.000	0.000	0.000
112	C	158	ASN	0	-0.049	-0.024	34.178	0.002	0.002	0.000	0.000	0.000	0.000
113	C	159	SER	0	-0.021	-0.009	31.501	0.005	0.005	0.000	0.000	0.000	0.000
114	C	160	LEU	0	-0.017	-0.017	24.953	-0.005	-0.005	0.000	0.000	0.000	0.000
115	C	161	PRO	0	0.022	0.018	25.761	0.000	0.000	0.000	0.000	0.000	0.000
116	C	162	LEU	0	0.093	0.033	25.613	0.011	0.011	0.000	0.000	0.000	0.000
117	C	163	GLU	-1	-0.790	-0.874	22.180	0.065	0.065	0.000	0.000	0.000	0.000
118	C	164	VAL	0	0.011	0.001	21.106	0.015	0.015	0.000	0.000	0.000	0.000
119	C	165	VAL	0	0.024	0.024	20.765	0.028	0.028	0.000	0.000	0.000	0.000
120	C	166	ARG	1	0.847	0.919	20.210	-0.096	-0.096	0.000	0.000	0.000	0.000
121	C	167	GLY	0	0.039	0.021	16.999	0.025	0.025	0.000	0.000	0.000	0.000
122	C	168	ALA	0	-0.009	-0.003	16.290	0.047	0.047	0.000	0.000	0.000	0.000
123	C	169	MET	0	-0.032	-0.016	17.532	0.044	0.044	0.000	0.000	0.000	0.000
124	C	170	THR	0	0.007	0.006	13.117	0.030	0.030	0.000	0.000	0.000	0.000
125	C	171	ILE	0	0.002	0.000	12.239	0.075	0.075	0.000	0.000	0.000	0.000
126	C	172	ARG	1	0.813	0.911	13.130	-0.314	-0.314	0.000	0.000	0.000	0.000
127	C	173	VAL	0	0.043	0.026	14.482	0.045	0.045	0.000	0.000	0.000	0.000
128	C	174	ASN	0	0.006	0.008	7.573	0.096	0.096	0.000	0.000	0.000	0.000
129	C	175	SER	0	-0.043	-0.026	10.794	0.137	0.137	0.000	0.000	0.000	0.000
130	C	176	LEU	0	-0.026	-0.021	11.835	0.010	0.010	0.000	0.000	0.000	0.000
131	C	177	THR	0	-0.060	-0.031	11.199	0.018	0.018	0.000	0.000	0.000	0.000
132	C	178	ARG	1	0.823	0.909	5.927	-1.802	-1.802	0.000	0.000	0.000	0.000
133	C	179	GLY	0	0.002	0.012	11.106	-0.020	-0.020	0.000	0.000	0.000	0.000
134	C	180	HIS	0	0.011	0.022	10.126	-0.075	-0.075	0.000	0.000	0.000	0.000
135	C	181	SER	0	0.002	-0.038	15.408	-0.035	-0.035	0.000	0.000	0.000	0.000
136	C	182	ALA	0	0.013	0.022	17.874	-0.043	-0.043	0.000	0.000	0.000	0.000
137	C	183	VAL	0	-0.016	0.003	19.102	-0.037	-0.037	0.000	0.000	0.000	0.000
138	C	184	ARG	1	0.822	0.863	19.868	-0.179	-0.179	0.000	0.000	0.000	0.000
139	C	185	LEU	0	0.093	0.042	17.834	0.015	0.015	0.000	0.000	0.000	0.000
140	C	186	VAL	0	0.054	0.033	20.696	-0.002	-0.002	0.000	0.000	0.000	0.000
141	C	187	VAL	0	-0.029	-0.013	22.242	-0.014	-0.014	0.000	0.000	0.000	0.000
142	C	188	LEU	0	-0.025	-0.012	16.097	-0.007	-0.007	0.000	0.000	0.000	0.000
143	C	189	GLU	-1	-0.877	-0.959	19.942	0.226	0.226	0.000	0.000	0.000	0.000
144	C	190	ALA	0	0.017	0.021	21.552	-0.024	-0.024	0.000	0.000	0.000	0.000
145	C	191	LEU	0	-0.008	-0.001	19.525	-0.017	-0.017	0.000	0.000	0.000	0.000
146	C	192	THR	0	-0.050	-0.022	17.601	-0.014	-0.014	0.000	0.000	0.000	0.000
147	C	193	ASN	0	-0.025	-0.022	20.359	-0.033	-0.033	0.000	0.000	0.000	0.000
148	C	194	PHE	0	0.019	0.004	23.900	-0.018	-0.018	0.000	0.000	0.000	0.000
149	C	195	LEU	0	-0.033	-0.003	18.015	-0.018	-0.018	0.000	0.000	0.000	0.000
150	C	196	ASN	0	-0.018	-0.019	20.137	-0.026	-0.026	0.000	0.000	0.000	0.000
151	C	197	HIS	0	0.004	0.019	23.328	-0.019	-0.019	0.000	0.000	0.000	0.000
152	C	198	GLY	0	-0.049	-0.013	25.387	-0.010	-0.010	0.000	0.000	0.000	0.000
153	C	199	ILE	0	-0.016	-0.005	26.450	-0.008	-0.008	0.000	0.000	0.000	0.000
154	C	200	THR	0	-0.032	-0.029	24.987	0.017	0.017	0.000	0.000	0.000	0.000
155	C	201	PRO	0	-0.009	-0.004	25.466	-0.010	-0.010	0.000	0.000	0.000	0.000
156	C	202	ILE	0	0.000	0.005	28.147	-0.001	-0.001	0.000	0.000	0.000	0.000
157	C	203	VAL	0	-0.032	-0.002	26.462	0.004	0.004	0.000	0.000	0.000	0.000
158	C	204	PRO	0	0.033	0.033	29.722	-0.006	-0.006	0.000	0.000	0.000	0.000
159	C	205	LEU	0	-0.034	-0.017	28.869	0.007	0.007	0.000	0.000	0.000	0.000
160	C	206	ARG	1	0.858	0.909	29.264	-0.057	-0.057	0.000	0.000	0.000	0.000
161	C	207	GLY	0	0.075	0.031	30.950	0.000	0.000	0.000	0.000	0.000	0.000
162	C	208	THR	0	-0.035	0.011	24.895	0.003	0.003	0.000	0.000	0.000	0.000
163	C	209	ILE	0	0.022	0.002	27.075	-0.008	-0.008	0.000	0.000	0.000	0.000
164	C	210	SER	0	-0.058	-0.050	22.067	-0.007	-0.007	0.000	0.000	0.000	0.000
165	C	211	ALA	0	0.073	0.021	22.472	0.003	0.003	0.000	0.000	0.000	0.000
166	C	212	SER	0	-0.167	-0.196	23.091	0.021	0.021	0.000	0.000	0.000	0.000
167	C	213	GLY	0	0.241	0.306	21.028	0.004	0.004	0.000	0.000	0.000	0.000
168	C	214	ASP	-1	-0.870	-0.940	20.562	0.173	0.173	0.000	0.000	0.000	0.000
169	C	215	LEU	0	0.009	-0.002	23.071	0.001	0.001	0.000	0.000	0.000	0.000
170	C	216	SER	0	0.028	0.019	25.414	0.001	0.001	0.000	0.000	0.000	0.000
171	C	217	PRO	0	-0.012	-0.022	24.351	0.000	0.000	0.000	0.000	0.000	0.000
172	C	218	LEU	0	0.013	0.009	19.881	0.003	0.003	0.000	0.000	0.000	0.000
173	C	219	SER	0	0.019	-0.013	23.940	0.006	0.006	0.000	0.000	0.000	0.000
174	C	220	TYR	0	0.024	0.006	27.225	-0.004	-0.004	0.000	0.000	0.000	0.000
175	C	221	ILE	0	-0.017	0.001	22.371	-0.004	-0.004	0.000	0.000	0.000	0.000
176	C	222	ALA	0	0.022	0.012	25.078	-0.001	-0.001	0.000	0.000	0.000	0.000
177	C	223	ALA	0	0.012	0.013	26.312	-0.006	-0.006	0.000	0.000	0.000	0.000
178	C	224	ALA	0	-0.054	-0.012	28.014	-0.009	-0.009	0.000	0.000	0.000	0.000
179	C	225	ILE	0	0.042	0.013	23.959	-0.007	-0.007	0.000	0.000	0.000	0.000
180	C	226	SER	0	-0.030	-0.019	28.095	-0.004	-0.004	0.000	0.000	0.000	0.000
181	C	227	GLY	0	-0.022	-0.009	30.564	-0.008	-0.008	0.000	0.000	0.000	0.000
182	C	228	HIS	0	0.031	0.020	32.985	-0.009	-0.009	0.000	0.000	0.000	0.000
183	C	229	PRO	0	0.012	-0.017	34.895	-0.002	-0.002	0.000	0.000	0.000	0.000
184	C	230	ASP	-1	-0.834	-0.903	37.273	0.072	0.072	0.000	0.000	0.000	0.000
185	C	231	SER	0	-0.001	0.011	31.511	-0.001	-0.001	0.000	0.000	0.000	0.000
186	C	232	LYS	1	0.827	0.908	33.778	-0.082	-0.082	0.000	0.000	0.000	0.000
187	C	233	VAL	0	-0.019	-0.019	30.286	0.009	0.009	0.000	0.000	0.000	0.000
188	C	234	HIS	0	-0.029	-0.032	30.212	-0.003	-0.003	0.000	0.000	0.000	0.000
189	C	235	VAL	0	0.057	0.033	30.190	0.008	0.008	0.000	0.000	0.000	0.000
190	C	236	VAL	0	0.014	0.008	31.299	-0.006	-0.006	0.000	0.000	0.000	0.000
191	C	237	HIS	0	0.084	0.051	33.364	0.001	0.001	0.000	0.000	0.000	0.000
192	C	238	GLU	-1	-0.819	-0.906	36.109	0.037	0.037	0.000	0.000	0.000	0.000
193	C	239	GLY	0	0.003	-0.008	36.840	-0.003	-0.003	0.000	0.000	0.000	0.000
194	C	240	LYS	1	0.835	0.927	37.753	-0.037	-0.037	0.000	0.000	0.000	0.000
195	C	241	GLU	-1	-0.863	-0.912	33.605	0.049	0.049	0.000	0.000	0.000	0.000
196	C	242	LYS	1	0.776	0.872	35.216	-0.049	-0.049	0.000	0.000	0.000	0.000
197	C	243	ILE	0	-0.021	-0.015	34.706	0.004	0.004	0.000	0.000	0.000	0.000
198	C	244	LEU	0	-0.016	0.004	35.448	-0.004	-0.004	0.000	0.000	0.000	0.000
199	C	245	TYR	0	0.034	0.009	35.538	0.004	0.004	0.000	0.000	0.000	0.000
200	C	246	ALA	0	-0.012	-0.010	32.165	0.000	0.000	0.000	0.000	0.000	0.000
201	C	247	ARG	1	0.897	0.935	33.599	-0.099	-0.099	0.000	0.000	0.000	0.000
202	C	248	GLU	-1	-0.847	-0.913	35.805	0.064	0.064	0.000	0.000	0.000	0.000
203	C	249	ALA	0	0.002	0.001	32.547	-0.003	-0.003	0.000	0.000	0.000	0.000
204	C	250	MET	0	-0.045	-0.019	30.671	0.003	0.003	0.000	0.000	0.000	0.000
205	C	251	ALA	0	0.015	0.014	33.022	-0.001	-0.001	0.000	0.000	0.000	0.000
206	C	252	LEU	0	-0.070	-0.029	34.761	-0.004	-0.004	0.000	0.000	0.000	0.000
207	C	253	PHE	0	-0.030	-0.011	30.921	-0.004	-0.004	0.000	0.000	0.000	0.000
208	C	254	ASN	0	-0.063	-0.027	32.005	0.002	0.002	0.000	0.000	0.000	0.000
209	C	255	LEU	0	-0.025	-0.004	28.078	0.007	0.007	0.000	0.000	0.000	0.000
210	C	256	GLU	-1	-0.901	-0.960	30.665	0.094	0.094	0.000	0.000	0.000	0.000
211	C	257	PRO	0	-0.052	-0.026	30.318	0.010	0.010	0.000	0.000	0.000	0.000
212	C	258	VAL	0	-0.001	0.005	26.400	0.001	0.001	0.000	0.000	0.000	0.000
213	C	259	VAL	0	-0.005	-0.011	29.654	-0.006	-0.006	0.000	0.000	0.000	0.000
214	C	260	LEU	0	-0.009	0.001	26.059	0.007	0.007	0.000	0.000	0.000	0.000
215	C	261	GLY	0	0.031	0.006	27.788	-0.014	-0.014	0.000	0.000	0.000	0.000
216	C	262	PRO	0	0.028	-0.014	27.981	0.005	0.005	0.000	0.000	0.000	0.000
217	C	263	LYS	1	0.791	0.893	19.741	-0.324	-0.324	0.000	0.000	0.000	0.000
218	C	264	GLU	-1	-0.694	-0.810	23.513	0.249	0.249	0.000	0.000	0.000	0.000
219	C	265	GLY	0	0.023	0.020	23.998	0.008	0.008	0.000	0.000	0.000	0.000
220	C	266	LEU	0	0.009	-0.006	23.695	0.007	0.007	0.000	0.000	0.000	0.000
221	C	267	GLY	0	0.004	0.010	20.262	0.015	0.015	0.000	0.000	0.000	0.000
222	C	268	LEU	0	-0.023	-0.019	19.494	0.033	0.033	0.000	0.000	0.000	0.000
223	C	269	VAL	0	-0.002	-0.010	21.432	0.004	0.004	0.000	0.000	0.000	0.000
224	C	270	ASN	0	-0.029	-0.001	21.036	-0.026	-0.026	0.000	0.000	0.000	0.000
225	C	271	GLY	0	0.039	0.016	17.903	0.040	0.040	0.000	0.000	0.000	0.000
226	C	272	THR	0	-0.071	-0.055	14.880	-0.023	-0.023	0.000	0.000	0.000	0.000
227	C	273	ALA	0	0.032	0.025	15.846	-0.018	-0.018	0.000	0.000	0.000	0.000
228	C	274	VAL	0	0.026	0.010	16.824	-0.020	-0.020	0.000	0.000	0.000	0.000
229	C	275	SER	0	-0.052	-0.057	19.504	-0.016	-0.016	0.000	0.000	0.000	0.000
230	C	276	ALA	0	0.041	0.023	14.182	-0.024	-0.024	0.000	0.000	0.000	0.000
231	C	277	SER	0	-0.051	-0.011	15.997	-0.029	-0.029	0.000	0.000	0.000	0.000
232	C	278	MET	0	-0.003	-0.009	17.309	-0.026	-0.026	0.000	0.000	0.000	0.000
233	C	279	ALA	0	0.026	-0.006	17.047	-0.023	-0.023	0.000	0.000	0.000	0.000
234	C	280	THR	0	-0.012	-0.012	13.454	-0.023	-0.023	0.000	0.000	0.000	0.000
235	C	281	LEU	0	-0.038	-0.017	16.071	-0.034	-0.034	0.000	0.000	0.000	0.000
236	C	282	ALA	0	0.027	0.017	18.988	-0.022	-0.022	0.000	0.000	0.000	0.000
237	C	283	LEU	0	0.007	0.008	14.489	-0.019	-0.019	0.000	0.000	0.000	0.000
238	C	284	HIS	0	-0.038	-0.035	16.871	-0.037	-0.037	0.000	0.000	0.000	0.000
239	C	285	ASP	-1	-0.792	-0.865	18.271	-0.014	-0.014	0.000	0.000	0.000	0.000
240	C	286	ALA	0	0.021	0.011	20.856	-0.009	-0.009	0.000	0.000	0.000	0.000
241	C	287	HIS	1	0.783	0.884	14.943	0.106	0.106	0.000	0.000	0.000	0.000
242	C	288	MET	0	-0.014	0.010	19.292	-0.014	-0.014	0.000	0.000	0.000	0.000
243	C	289	LEU	0	0.009	0.004	23.245	-0.003	-0.003	0.000	0.000	0.000	0.000
244	C	290	SER	0	0.022	0.020	23.039	-0.005	-0.005	0.000	0.000	0.000	0.000
245	C	291	LEU	0	0.000	-0.002	21.612	-0.001	-0.001	0.000	0.000	0.000	0.000
246	C	292	LEU	0	0.030	0.013	25.570	0.001	0.001	0.000	0.000	0.000	0.000
247	C	293	SER	0	-0.013	-0.030	28.439	0.001	0.001	0.000	0.000	0.000	0.000
248	C	294	GLN	0	0.040	0.025	24.498	-0.004	-0.004	0.000	0.000	0.000	0.000
249	C	295	SER	0	0.018	-0.006	29.100	-0.001	-0.001	0.000	0.000	0.000	0.000
250	C	296	LEU	0	-0.037	-0.008	31.550	0.002	0.002	0.000	0.000	0.000	0.000
251	C	297	THR	0	-0.003	0.012	32.643	0.004	0.004	0.000	0.000	0.000	0.000
252	C	298	ALA	0	-0.002	0.006	33.603	0.003	0.003	0.000	0.000	0.000	0.000
253	C	299	MET	0	0.027	0.005	35.439	0.002	0.002	0.000	0.000	0.000	0.000
254	C	300	THR	0	0.000	-0.016	37.562	0.005	0.005	0.000	0.000	0.000	0.000
255	C	301	VAL	0	-0.029	-0.005	37.796	0.003	0.003	0.000	0.000	0.000	0.000
256	C	302	GLU	-1	-0.755	-0.821	38.989	-0.055	-0.055	0.000	0.000	0.000	0.000
257	C	303	ALA	0	0.029	0.017	41.759	0.002	0.002	0.000	0.000	0.000	0.000
258	C	304	MET	0	-0.036	-0.017	43.132	0.004	0.004	0.000	0.000	0.000	0.000
259	C	305	VAL	0	-0.011	0.009	44.861	0.001	0.001	0.000	0.000	0.000	0.000
260	C	306	GLY	0	0.010	0.012	43.002	0.001	0.001	0.000	0.000	0.000	0.000
261	C	307	HIS	0	-0.054	-0.045	42.349	-0.002	-0.002	0.000	0.000	0.000	0.000
262	C	308	ALA	0	0.028	0.001	38.784	-0.002	-0.002	0.000	0.000	0.000	0.000
263	C	309	GLY	0	0.033	0.013	38.030	-0.004	-0.004	0.000	0.000	0.000	0.000
264	C	310	SER	0	-0.022	-0.008	37.501	-0.001	-0.001	0.000	0.000	0.000	0.000
265	C	311	PHE	0	-0.016	0.002	33.362	-0.002	-0.002	0.000	0.000	0.000	0.000
266	C	312	HIS	0	0.070	0.054	33.838	-0.010	-0.010	0.000	0.000	0.000	0.000
267	C	313	PRO	0	0.053	0.008	32.111	0.001	0.001	0.000	0.000	0.000	0.000
268	C	314	PHE	0	0.010	0.003	33.346	-0.002	-0.002	0.000	0.000	0.000	0.000
269	C	315	LEU	0	-0.031	0.001	35.657	0.002	0.002	0.000	0.000	0.000	0.000
270	C	316	HIS	0	-0.043	-0.029	30.167	0.000	0.000	0.000	0.000	0.000	0.000
271	C	317	ASP	-1	-0.832	-0.933	29.354	-0.119	-0.119	0.000	0.000	0.000	0.000
272	C	318	VAL	0	-0.058	-0.017	30.404	-0.002	-0.002	0.000	0.000	0.000	0.000
273	C	319	THR	0	-0.017	-0.027	33.434	0.002	0.002	0.000	0.000	0.000	0.000
274	C	320	ARG	1	0.827	0.905	31.069	0.067	0.067	0.000	0.000	0.000	0.000
275	C	321	PRO	0	0.067	0.053	27.751	-0.001	-0.001	0.000	0.000	0.000	0.000
276	C	322	HIS	0	-0.014	-0.010	25.659	-0.013	-0.013	0.000	0.000	0.000	0.000
277	C	323	PRO	0	0.027	0.003	21.230	0.002	0.002	0.000	0.000	0.000	0.000
278	C	324	THR	0	0.037	-0.003	20.700	-0.004	-0.004	0.000	0.000	0.000	0.000
279	C	325	GLN	0	0.003	-0.001	23.255	0.010	0.010	0.000	0.000	0.000	0.000
280	C	326	ILE	0	-0.008	0.004	25.413	0.004	0.004	0.000	0.000	0.000	0.000
281	C	327	GLU	-1	-0.841	-0.911	20.703	-0.174	-0.174	0.000	0.000	0.000	0.000
282	C	328	VAL	0	-0.004	0.003	24.653	0.004	0.004	0.000	0.000	0.000	0.000
283	C	329	ALA	0	-0.011	-0.005	26.919	0.005	0.005	0.000	0.000	0.000	0.000
284	C	330	GLY	0	0.010	0.002	27.981	0.004	0.004	0.000	0.000	0.000	0.000
285	C	331	ASN	0	-0.029	-0.015	23.908	-0.006	-0.006	0.000	0.000	0.000	0.000
286	C	332	ILE	0	-0.002	-0.012	28.106	0.004	0.004	0.000	0.000	0.000	0.000
287	C	333	ARG	1	0.881	0.936	29.967	0.114	0.114	0.000	0.000	0.000	0.000
288	C	334	LYS	1	0.889	0.945	25.918	0.159	0.159	0.000	0.000	0.000	0.000
289	C	335	LEU	0	-0.022	-0.007	30.177	0.004	0.004	0.000	0.000	0.000	0.000
290	C	336	LEU	0	0.007	0.028	33.130	0.005	0.005	0.000	0.000	0.000	0.000
291	C	337	GLU	-1	-0.868	-0.903	33.961	-0.098	-0.098	0.000	0.000	0.000	0.000
292	C	338	GLY	0	0.001	-0.017	37.146	0.000	0.000	0.000	0.000	0.000	0.000
293	C	339	SER	0	-0.020	-0.038	39.773	0.004	0.004	0.000	0.000	0.000	0.000
294	C	340	ARG	1	0.877	0.944	41.341	0.056	0.056	0.000	0.000	0.000	0.000
295	C	341	PHE	0	-0.004	0.004	42.935	0.003	0.003	0.000	0.000	0.000	0.000
296	C	342	ALA	0	-0.014	-0.007	40.950	0.002	0.002	0.000	0.000	0.000	0.000
297	C	343	VAL	0	0.014	0.015	42.964	-0.001	-0.001	0.000	0.000	0.000	0.000
298	C	344	HIS	0	-0.053	-0.047	39.900	-0.004	-0.004	0.000	0.000	0.000	0.000
299	C	345	HIS	0	-0.039	-0.012	43.519	-0.002	-0.002	0.000	0.000	0.000	0.000
300	C	346	GLU	-1	-0.889	-0.944	44.903	-0.045	-0.045	0.000	0.000	0.000	0.000
301	C	347	GLU	-1	-0.911	-0.942	47.331	-0.036	-0.036	0.000	0.000	0.000	0.000
302	C	348	GLU	-1	-0.879	-0.952	50.836	-0.036	-0.036	0.000	0.000	0.000	0.000
303	C	349	VAL	0	-0.027	-0.018	54.331	0.001	0.001	0.000	0.000	0.000	0.000
304	C	350	LYS	1	0.842	0.916	48.648	0.042	0.042	0.000	0.000	0.000	0.000
305	C	351	VAL	0	0.044	0.023	53.263	0.000	0.000	0.000	0.000	0.000	0.000
306	C	352	LYS	1	0.688	0.835	51.946	0.025	0.025	0.000	0.000	0.000	0.000
307	C	353	ASP	-1	-0.806	-0.903	54.983	-0.027	-0.027	0.000	0.000	0.000	0.000
308	C	354	ASP	-1	-0.932	-0.961	58.607	-0.021	-0.021	0.000	0.000	0.000	0.000
309	C	355	GLU	-1	-0.916	-0.968	59.842	-0.020	-0.020	0.000	0.000	0.000	0.000
310	C	356	GLY	0	-0.057	-0.017	56.807	0.000	0.000	0.000	0.000	0.000	0.000
311	C	357	ILE	0	0.044	0.027	53.882	0.000	0.000	0.000	0.000	0.000	0.000
312	C	358	LEU	0	-0.103	-0.049	47.625	0.000	0.000	0.000	0.000	0.000	0.000
313	C	359	ARG	1	0.984	0.993	49.652	0.032	0.032	0.000	0.000	0.000	0.000
314	C	360	GLN	0	-0.024	0.000	43.717	-0.003	-0.003	0.000	0.000	0.000	0.000
315	C	361	ASP	-1	-0.743	-0.860	42.221	-0.041	-0.041	0.000	0.000	0.000	0.000
316	C	362	ARG	1	0.880	0.926	43.397	0.027	0.027	0.000	0.000	0.000	0.000
317	C	363	TYR	0	0.007	-0.013	39.094	-0.003	-0.003	0.000	0.000	0.000	0.000
318	C	364	PRO	0	0.051	0.053	37.586	-0.003	-0.003	0.000	0.000	0.000	0.000
319	C	365	LEU	0	0.047	0.036	36.621	-0.003	-0.003	0.000	0.000	0.000	0.000
320	C	366	ARG	1	0.908	0.953	36.693	0.037	0.037	0.000	0.000	0.000	0.000
321	C	367	THR	0	-0.090	-0.060	35.781	-0.002	-0.002	0.000	0.000	0.000	0.000
322	C	368	SER	0	0.062	0.025	32.780	-0.003	-0.003	0.000	0.000	0.000	0.000
323	C	369	PRO	0	0.017	0.001	29.918	-0.001	-0.001	0.000	0.000	0.000	0.000
324	C	370	GLN	0	-0.005	-0.012	29.129	-0.003	-0.003	0.000	0.000	0.000	0.000
325	C	371	TRP	0	-0.075	-0.034	30.496	0.003	0.003	0.000	0.000	0.000	0.000
326	C	372	LEU	0	0.034	0.012	27.235	0.002	0.002	0.000	0.000	0.000	0.000
327	C	373	GLY	0	0.033	0.022	25.393	-0.004	-0.004	0.000	0.000	0.000	0.000
328	C	374	PRO	0	-0.033	-0.013	23.977	-0.008	-0.008	0.000	0.000	0.000	0.000
329	C	375	LEU	0	0.033	0.020	23.342	-0.001	-0.001	0.000	0.000	0.000	0.000
330	C	376	VAL	0	0.017	0.012	20.835	0.001	0.001	0.000	0.000	0.000	0.000
331	C	377	SER	0	0.004	0.002	19.333	-0.017	-0.017	0.000	0.000	0.000	0.000
332	C	378	ASP	-1	-0.842	-0.913	18.213	-0.040	-0.040	0.000	0.000	0.000	0.000
333	C	379	LEU	0	-0.048	-0.016	17.965	0.008	0.008	0.000	0.000	0.000	0.000
334	C	380	ILE	0	-0.011	-0.010	14.320	-0.003	-0.003	0.000	0.000	0.000	0.000
335	C	381	HIS	0	0.021	0.027	13.613	-0.018	-0.018	0.000	0.000	0.000	0.000
336	C	382	ALA	0	0.020	-0.007	13.333	0.017	0.017	0.000	0.000	0.000	0.000
337	C	383	HIS	0	0.043	0.013	10.229	0.106	0.106	0.000	0.000	0.000	0.000
338	C	384	ALA	0	0.046	0.039	9.101	0.011	0.011	0.000	0.000	0.000	0.000
339	C	385	VAL	0	-0.108	-0.047	8.755	0.063	0.063	0.000	0.000	0.000	0.000
340	C	386	LEU	0	0.025	-0.001	10.309	0.087	0.087	0.000	0.000	0.000	0.000
341	C	387	THR	0	-0.002	-0.007	5.280	0.071	0.071	0.000	0.000	0.000	0.000
342	C	388	ILE	0	-0.008	0.002	5.398	0.228	0.228	0.000	0.000	0.000	0.000
343	C	389	GLU	-1	-0.864	-0.892	6.923	0.597	0.597	0.000	0.000	0.000	0.000
344	C	390	ALA	0	-0.040	-0.035	9.927	0.062	0.062	0.000	0.000	0.000	0.000
345	C	391	GLY	0	0.040	0.007	6.441	-0.021	-0.021	0.000	0.000	0.000	0.000
346	C	392	GLN	0	-0.054	-0.016	2.540	-1.116	-0.231	1.519	-0.829	-1.575	-0.007
347	C	393	SER	0	-0.015	-0.020	5.459	-0.140	-0.140	0.000	0.000	0.000	0.000
348	C	394	THR	0	-0.015	0.002	9.003	0.046	0.046	0.000	0.000	0.000	0.000
349	C	395	THR	0	0.012	-0.005	12.057	-0.066	-0.066	0.000	0.000	0.000	0.000
350	C	396	ASP	-1	-0.748	-0.844	15.039	0.394	0.394	0.000	0.000	0.000	0.000
351	C	397	ASN	0	0.021	0.009	17.855	0.015	0.015	0.000	0.000	0.000	0.000
352	C	398	PRO	0	0.031	0.004	20.370	-0.013	-0.013	0.000	0.000	0.000	0.000
353	C	399	LEU	0	-0.046	-0.004	14.926	0.019	0.019	0.000	0.000	0.000	0.000
354	C	400	ILE	0	-0.017	-0.021	18.129	-0.039	-0.039	0.000	0.000	0.000	0.000
355	C	401	ASP	-1	-0.845	-0.915	17.442	0.403	0.403	0.000	0.000	0.000	0.000
356	C	402	VAL	0	0.066	0.017	18.076	-0.039	-0.039	0.000	0.000	0.000	0.000
357	C	403	GLU	-1	-0.847	-0.908	17.152	0.303	0.303	0.000	0.000	0.000	0.000
358	C	404	ASN	0	-0.112	-0.072	19.047	-0.065	-0.065	0.000	0.000	0.000	0.000
359	C	405	LYS	1	0.838	0.926	22.030	-0.222	-0.222	0.000	0.000	0.000	0.000
360	C	406	THR	0	0.037	0.020	21.813	-0.024	-0.024	0.000	0.000	0.000	0.000
361	C	407	SER	0	-0.044	-0.011	21.620	0.025	0.025	0.000	0.000	0.000	0.000
362	C	408	HIS	0	-0.006	0.004	19.059	-0.035	-0.035	0.000	0.000	0.000	0.000
363	C	409	HIS	0	0.000	-0.010	21.382	0.019	0.019	0.000	0.000	0.000	0.000
364	C	410	GLY	0	0.035	0.013	20.058	-0.011	-0.011	0.000	0.000	0.000	0.000
365	C	411	GLY	0	0.028	-0.002	19.500	-0.014	-0.014	0.000	0.000	0.000	0.000
366	C	412	ASN	0	-0.044	-0.021	13.816	-0.062	-0.062	0.000	0.000	0.000	0.000
367	C	413	PHE	0	0.042	0.047	16.274	0.022	0.022	0.000	0.000	0.000	0.000
368	C	414	GLN	0	-0.011	-0.012	18.883	-0.025	-0.025	0.000	0.000	0.000	0.000
369	C	415	ALA	0	0.063	0.038	17.823	0.009	0.009	0.000	0.000	0.000	0.000
370	C	416	ALA	0	0.008	-0.021	18.888	-0.020	-0.020	0.000	0.000	0.000	0.000
371	C	417	ALA	0	0.005	0.014	14.251	-0.025	-0.025	0.000	0.000	0.000	0.000
372	C	418	VAL	0	0.058	0.023	15.375	-0.027	-0.027	0.000	0.000	0.000	0.000
373	C	419	ALA	0	0.041	0.021	17.115	-0.026	-0.026	0.000	0.000	0.000	0.000
374	C	420	ASN	0	-0.033	-0.006	18.212	-0.027	-0.027	0.000	0.000	0.000	0.000
375	C	421	THR	0	-0.006	-0.011	14.967	-0.019	-0.019	0.000	0.000	0.000	0.000
376	C	422	MET	0	-0.028	0.025	18.355	-0.019	-0.019	0.000	0.000	0.000	0.000
377	C	423	GLU	-1	-0.651	-0.775	21.315	0.042	0.042	0.000	0.000	0.000	0.000
378	C	424	LYS	1	0.821	0.907	18.169	0.007	0.007	0.000	0.000	0.000	0.000
379	C	425	THR	0	-0.019	-0.030	20.021	-0.015	-0.015	0.000	0.000	0.000	0.000
380	C	426	ARG	1	0.737	0.848	22.545	-0.046	-0.046	0.000	0.000	0.000	0.000
381	C	427	LEU	0	0.031	0.022	25.939	-0.004	-0.004	0.000	0.000	0.000	0.000
382	C	428	GLY	0	0.006	-0.003	25.114	-0.005	-0.005	0.000	0.000	0.000	0.000
383	C	429	LEU	0	0.002	-0.005	24.708	-0.006	-0.006	0.000	0.000	0.000	0.000
384	C	430	ALA	0	0.055	0.032	27.582	-0.002	-0.002	0.000	0.000	0.000	0.000
385	C	431	GLN	0	-0.037	-0.013	28.886	0.001	0.001	0.000	0.000	0.000	0.000
386	C	432	ILE	0	0.005	0.008	25.511	-0.003	-0.003	0.000	0.000	0.000	0.000
387	C	433	GLY	0	0.053	0.017	30.144	-0.001	-0.001	0.000	0.000	0.000	0.000
388	C	434	LYS	1	0.948	0.979	32.955	0.016	0.016	0.000	0.000	0.000	0.000
389	C	435	LEU	0	-0.019	0.009	32.095	0.000	0.000	0.000	0.000	0.000	0.000
390	C	436	ASN	0	0.039	0.032	32.194	0.000	0.000	0.000	0.000	0.000	0.000
391	C	437	PHE	0	0.038	0.029	35.480	0.001	0.001	0.000	0.000	0.000	0.000
392	C	438	THR	0	-0.094	-0.066	37.822	0.000	0.000	0.000	0.000	0.000	0.000
393	C	439	GLN	0	-0.012	-0.031	34.613	0.001	0.001	0.000	0.000	0.000	0.000
394	C	440	LEU	0	0.006	0.005	39.399	0.000	0.000	0.000	0.000	0.000	0.000
395	C	441	THR	0	-0.034	-0.046	41.084	0.001	0.001	0.000	0.000	0.000	0.000
396	C	442	GLU	-1	-0.852	-0.918	43.150	-0.030	-0.030	0.000	0.000	0.000	0.000
397	C	443	MET	0	-0.007	-0.006	41.570	0.000	0.000	0.000	0.000	0.000	0.000
398	C	444	LEU	0	-0.059	-0.024	44.433	0.001	0.001	0.000	0.000	0.000	0.000
399	C	445	ASN	0	0.002	0.011	47.250	0.002	0.002	0.000	0.000	0.000	0.000
400	C	446	ALA	0	0.009	-0.004	49.669	-0.001	-0.001	0.000	0.000	0.000	0.000
401	C	447	GLY	0	0.054	0.047	52.713	0.000	0.000	0.000	0.000	0.000	0.000
402	C	448	MET	0	-0.099	-0.051	46.203	0.000	0.000	0.000	0.000	0.000	0.000
403	C	449	ASN	0	-0.015	-0.011	48.042	-0.002	-0.002	0.000	0.000	0.000	0.000
404	C	450	ARG	1	0.920	0.954	46.011	0.035	0.035	0.000	0.000	0.000	0.000
405	C	451	GLY	0	0.073	0.054	51.045	-0.001	-0.001	0.000	0.000	0.000	0.000
406	C	452	LEU	0	-0.047	-0.006	46.958	0.000	0.000	0.000	0.000	0.000	0.000
407	C	453	PRO	0	0.019	0.019	51.451	0.001	0.001	0.000	0.000	0.000	0.000
408	C	454	SER	0	0.064	0.034	51.944	0.000	0.000	0.000	0.000	0.000	0.000
409	C	455	CYS	0	-0.063	-0.021	50.448	0.001	0.001	0.000	0.000	0.000	0.000
410	C	456	LEU	0	0.058	0.022	45.703	0.000	0.000	0.000	0.000	0.000	0.000
411	C	457	ALA	0	-0.027	-0.016	50.200	0.000	0.000	0.000	0.000	0.000	0.000
412	C	458	ALA	0	0.033	0.011	52.451	-0.001	-0.001	0.000	0.000	0.000	0.000
413	C	459	GLU	-1	-0.793	-0.874	54.052	-0.018	-0.018	0.000	0.000	0.000	0.000
414	C	460	ASP	-1	-0.887	-0.938	57.634	-0.014	-0.014	0.000	0.000	0.000	0.000
415	C	461	PRO	0	0.016	-0.004	57.205	0.001	0.001	0.000	0.000	0.000	0.000
416	C	462	SER	0	-0.037	-0.035	58.525	0.001	0.001	0.000	0.000	0.000	0.000
417	C	463	LEU	0	-0.030	-0.003	60.466	0.001	0.001	0.000	0.000	0.000	0.000
418	C	464	SER	0	-0.012	-0.003	55.208	0.000	0.000	0.000	0.000	0.000	0.000
419	C	465	TYR	0	-0.016	-0.031	54.184	0.000	0.000	0.000	0.000	0.000	0.000
420	C	466	HIS	0	-0.028	-0.002	47.411	0.001	0.001	0.000	0.000	0.000	0.000
421	C	467	CYS	0	0.014	0.013	46.416	0.000	0.000	0.000	0.000	0.000	0.000
422	C	468	LYS	1	0.991	1.000	47.256	0.011	0.011	0.000	0.000	0.000	0.000
423	C	469	GLY	0	0.017	-0.003	48.300	0.001	0.001	0.000	0.000	0.000	0.000
424	C	470	LEU	0	0.009	0.000	42.791	0.001	0.001	0.000	0.000	0.000	0.000
425	C	471	ASP	-1	-0.827	-0.896	43.316	-0.015	-0.015	0.000	0.000	0.000	0.000
426	C	472	ILE	0	-0.006	-0.003	44.222	0.000	0.000	0.000	0.000	0.000	0.000
427	C	473	ALA	0	-0.019	-0.009	42.250	0.001	0.001	0.000	0.000	0.000	0.000
428	C	474	ALA	0	0.030	0.012	39.748	0.001	0.001	0.000	0.000	0.000	0.000
429	C	475	ALA	0	0.031	0.027	39.607	0.000	0.000	0.000	0.000	0.000	0.000
430	C	476	ALA	0	-0.018	0.000	40.803	0.001	0.001	0.000	0.000	0.000	0.000
431	C	477	TYR	0	0.025	0.011	36.373	0.002	0.002	0.000	0.000	0.000	0.000
432	C	478	THR	0	0.003	-0.022	36.193	0.000	0.000	0.000	0.000	0.000	0.000
433	C	479	SER	0	-0.078	-0.049	36.709	0.001	0.001	0.000	0.000	0.000	0.000
434	C	480	GLU	-1	-0.957	-0.968	35.896	0.014	0.014	0.000	0.000	0.000	0.000
435	C	481	LEU	0	-0.018	-0.021	30.854	0.003	0.003	0.000	0.000	0.000	0.000
436	C	482	GLY	0	-0.003	0.002	32.835	0.001	0.001	0.000	0.000	0.000	0.000
437	C	483	HIS	0	-0.016	-0.006	34.416	0.001	0.001	0.000	0.000	0.000	0.000
438	C	484	LEU	0	0.007	0.002	31.125	0.004	0.004	0.000	0.000	0.000	0.000
439	C	485	ALA	0	-0.003	0.011	29.774	0.005	0.005	0.000	0.000	0.000	0.000
440	C	486	ASN	0	-0.070	-0.017	30.100	-0.001	-0.001	0.000	0.000	0.000	0.000
441	C	487	PRO	0	0.006	0.019	28.676	0.003	0.003	0.000	0.000	0.000	0.000
442	C	488	VAL	0	-0.003	-0.028	27.479	0.000	0.000	0.000	0.000	0.000	0.000
443	C	489	THR	0	-0.053	-0.066	24.409	0.002	0.002	0.000	0.000	0.000	0.000
444	C	490	THR	0	-0.009	0.000	27.795	0.002	0.002	0.000	0.000	0.000	0.000
445	C	491	HIS	0	-0.058	-0.016	30.890	-0.001	-0.001	0.000	0.000	0.000	0.000
446	C	492	VAL	0	-0.013	0.013	28.339	0.002	0.002	0.000	0.000	0.000	0.000
447	C	493	GLN	0	-0.018	-0.009	31.343	-0.006	-0.006	0.000	0.000	0.000	0.000
448	C	494	PRO	0	0.015	0.006	32.515	0.007	0.007	0.000	0.000	0.000	0.000
449	C	495	ALA	0	0.009	-0.002	31.181	-0.002	-0.002	0.000	0.000	0.000	0.000
450	C	496	GLU	-1	-0.839	-0.913	30.837	0.126	0.126	0.000	0.000	0.000	0.000
451	C	497	MET	0	0.042	0.015	34.040	0.003	0.003	0.000	0.000	0.000	0.000
452	C	498	ALA	0	-0.010	0.006	34.148	-0.002	-0.002	0.000	0.000	0.000	0.000
453	C	499	ASN	0	-0.039	-0.023	29.505	0.002	0.002	0.000	0.000	0.000	0.000
454	C	500	GLN	0	-0.064	-0.039	27.221	0.013	0.013	0.000	0.000	0.000	0.000
455	C	501	ALA	0	-0.007	0.002	29.680	-0.003	-0.003	0.000	0.000	0.000	0.000
456	C	502	VAL	0	-0.002	0.008	26.243	-0.006	-0.006	0.000	0.000	0.000	0.000
457	C	503	ASN	0	-0.044	-0.042	25.610	0.008	0.008	0.000	0.000	0.000	0.000
458	C	504	SER	0	0.022	0.002	21.981	-0.013	-0.013	0.000	0.000	0.000	0.000
459	C	505	LEU	0	0.011	0.008	23.975	-0.010	-0.010	0.000	0.000	0.000	0.000
460	C	506	ALA	0	0.006	0.008	20.386	-0.010	-0.010	0.000	0.000	0.000	0.000
461	C	507	LEU	0	0.044	0.015	22.503	-0.010	-0.010	0.000	0.000	0.000	0.000
462	C	508	ILE	0	-0.052	-0.027	23.880	-0.012	-0.012	0.000	0.000	0.000	0.000
463	C	509	SER	0	-0.005	-0.022	23.632	-0.011	-0.011	0.000	0.000	0.000	0.000
464	C	510	ALA	0	0.072	0.020	21.602	-0.010	-0.010	0.000	0.000	0.000	0.000
465	C	511	ARG	1	0.924	0.972	23.379	-0.085	-0.085	0.000	0.000	0.000	0.000
466	C	512	ARG	1	0.848	0.916	26.719	-0.049	-0.049	0.000	0.000	0.000	0.000
467	C	513	THR	0	0.004	-0.002	22.642	-0.007	-0.007	0.000	0.000	0.000	0.000
468	C	514	THR	0	0.011	-0.008	24.515	-0.008	-0.008	0.000	0.000	0.000	0.000
469	C	515	GLU	-1	-0.834	-0.893	26.083	0.029	0.029	0.000	0.000	0.000	0.000
470	C	516	SER	0	0.013	-0.005	27.662	-0.006	-0.006	0.000	0.000	0.000	0.000
471	C	517	ASN	0	0.021	-0.004	23.011	-0.012	-0.012	0.000	0.000	0.000	0.000
472	C	518	ASP	-1	-0.770	-0.829	27.547	0.007	0.007	0.000	0.000	0.000	0.000
473	C	519	VAL	0	0.049	0.021	30.511	-0.005	-0.005	0.000	0.000	0.000	0.000
474	C	520	LEU	0	-0.019	-0.009	27.868	-0.004	-0.004	0.000	0.000	0.000	0.000
475	C	521	SER	0	-0.010	-0.021	29.308	-0.006	-0.006	0.000	0.000	0.000	0.000
476	C	522	LEU	0	-0.020	0.003	31.473	-0.003	-0.003	0.000	0.000	0.000	0.000
477	C	523	LEU	0	-0.036	0.013	34.178	-0.002	-0.002	0.000	0.000	0.000	0.000
478	C	524	LEU	0	0.001	-0.015	29.817	-0.003	-0.003	0.000	0.000	0.000	0.000
479	C	525	ALA	0	0.014	0.017	34.000	-0.003	-0.003	0.000	0.000	0.000	0.000
480	C	526	THR	0	-0.030	-0.030	35.540	0.000	0.000	0.000	0.000	0.000	0.000
481	C	527	HIS	0	0.006	-0.005	36.244	0.000	0.000	0.000	0.000	0.000	0.000
482	C	528	LEU	0	0.027	0.012	33.782	-0.002	-0.002	0.000	0.000	0.000	0.000
483	C	529	TYR	0	-0.021	-0.043	37.293	0.000	0.000	0.000	0.000	0.000	0.000
484	C	530	CYS	0	-0.066	-0.028	40.453	0.001	0.001	0.000	0.000	0.000	0.000
485	C	531	VAL	0	0.015	-0.001	37.968	0.000	0.000	0.000	0.000	0.000	0.000
486	C	532	LEU	0	0.012	0.020	38.207	-0.001	-0.001	0.000	0.000	0.000	0.000
487	C	533	GLN	0	-0.011	-0.004	41.968	0.000	0.000	0.000	0.000	0.000	0.000
488	C	534	ALA	0	-0.009	-0.007	44.192	0.000	0.000	0.000	0.000	0.000	0.000
489	C	535	ILE	0	0.013	0.003	40.371	0.000	0.000	0.000	0.000	0.000	0.000
490	C	536	ASP	-1	-0.692	-0.819	44.849	-0.033	-0.033	0.000	0.000	0.000	0.000
491	C	537	LEU	0	-0.042	-0.018	47.338	0.001	0.001	0.000	0.000	0.000	0.000
492	C	538	ARG	1	0.780	0.872	47.325	0.032	0.032	0.000	0.000	0.000	0.000
493	C	539	ALA	0	0.004	0.009	47.657	0.000	0.000	0.000	0.000	0.000	0.000
494	C	540	ILE	0	-0.011	0.005	49.575	0.001	0.001	0.000	0.000	0.000	0.000
495	C	541	GLU	-1	-0.840	-0.894	52.419	-0.029	-0.029	0.000	0.000	0.000	0.000
496	C	542	PHE	0	-0.008	-0.020	48.440	0.001	0.001	0.000	0.000	0.000	0.000
497	C	543	GLU	-1	-0.763	-0.838	52.308	-0.033	-0.033	0.000	0.000	0.000	0.000
498	C	544	PHE	0	-0.031	-0.011	54.935	0.001	0.001	0.000	0.000	0.000	0.000
499	C	545	LYS	1	0.915	0.934	54.170	0.030	0.030	0.000	0.000	0.000	0.000
500	C	546	LYS	1	0.814	0.903	52.493	0.035	0.035	0.000	0.000	0.000	0.000
501	C	547	GLN	0	-0.045	-0.029	58.359	0.001	0.001	0.000	0.000	0.000	0.000
502	C	548	PHE	0	0.009	-0.002	60.998	0.001	0.001	0.000	0.000	0.000	0.000
503	C	549	GLY	0	0.032	0.027	61.665	0.001	0.001	0.000	0.000	0.000	0.000
504	C	550	PRO	0	0.010	-0.018	62.495	0.001	0.001	0.000	0.000	0.000	0.000
505	C	551	ALA	0	0.012	0.026	65.480	0.001	0.001	0.000	0.000	0.000	0.000
506	C	552	ILE	0	0.010	0.005	64.216	0.001	0.001	0.000	0.000	0.000	0.000
507	C	553	VAL	0	-0.023	-0.012	67.023	0.001	0.001	0.000	0.000	0.000	0.000
508	C	554	SER	0	-0.021	0.004	69.571	0.001	0.001	0.000	0.000	0.000	0.000
509	C	555	LEU	0	0.023	0.005	70.677	0.001	0.001	0.000	0.000	0.000	0.000
510	C	556	ILE	0	0.009	0.004	70.224	0.001	0.001	0.000	0.000	0.000	0.000
511	C	557	ASP	-1	-0.781	-0.870	73.314	-0.019	-0.019	0.000	0.000	0.000	0.000
512	C	558	GLN	0	-0.059	-0.027	75.631	0.000	0.000	0.000	0.000	0.000	0.000
513	C	559	HIS	0	-0.044	-0.021	76.428	0.001	0.001	0.000	0.000	0.000	0.000
514	C	560	PHE	0	0.025	-0.006	74.791	0.001	0.001	0.000	0.000	0.000	0.000
515	C	561	GLY	0	0.034	0.028	78.688	0.000	0.000	0.000	0.000	0.000	0.000
516	C	562	SER	0	-0.012	-0.017	79.412	0.000	0.000	0.000	0.000	0.000	0.000
517	C	563	ALA	0	-0.026	-0.004	81.776	0.000	0.000	0.000	0.000	0.000	0.000
518	C	564	MET	0	0.011	0.033	75.638	0.000	0.000	0.000	0.000	0.000	0.000
519	C	565	THR	0	-0.013	-0.002	80.646	-0.001	-0.001	0.000	0.000	0.000	0.000
520	C	566	GLY	0	-0.033	-0.009	82.017	0.000	0.000	0.000	0.000	0.000	0.000
521	C	567	SER	0	-0.031	-0.019	79.845	0.000	0.000	0.000	0.000	0.000	0.000
522	C	568	ASN	0	-0.034	-0.037	75.000	-0.001	-0.001	0.000	0.000	0.000	0.000
523	C	569	LEU	0	0.051	0.027	75.260	-0.001	-0.001	0.000	0.000	0.000	0.000
524	C	570	ARG	1	0.791	0.861	70.578	0.021	0.021	0.000	0.000	0.000	0.000
525	C	571	ASP	-1	-0.840	-0.926	69.880	-0.023	-0.023	0.000	0.000	0.000	0.000
526	C	572	GLU	-1	-0.862	-0.911	69.528	-0.020	-0.020	0.000	0.000	0.000	0.000
527	C	573	LEU	0	0.023	0.005	69.960	0.000	0.000	0.000	0.000	0.000	0.000
528	C	574	VAL	0	0.014	0.004	66.756	0.000	0.000	0.000	0.000	0.000	0.000
529	C	575	GLU	-1	-0.838	-0.900	63.920	-0.025	-0.025	0.000	0.000	0.000	0.000
530	C	576	LYS	1	0.898	0.936	65.296	0.020	0.020	0.000	0.000	0.000	0.000
531	C	577	VAL	0	0.001	0.002	66.823	0.000	0.000	0.000	0.000	0.000	0.000
532	C	578	ASN	0	-0.044	-0.034	62.762	0.000	0.000	0.000	0.000	0.000	0.000
533	C	579	LYS	1	0.842	0.912	61.615	0.025	0.025	0.000	0.000	0.000	0.000
534	C	580	THR	0	-0.061	-0.030	62.423	0.000	0.000	0.000	0.000	0.000	0.000
535	C	581	LEU	0	-0.009	-0.002	63.500	0.000	0.000	0.000	0.000	0.000	0.000
536	C	582	ALA	0	-0.041	-0.015	58.552	0.000	0.000	0.000	0.000	0.000	0.000
537	C	583	LYS	1	1.001	1.001	58.750	0.020	0.020	0.000	0.000	0.000	0.000
538	C	584	ARG	1	0.783	0.874	59.640	0.016	0.016	0.000	0.000	0.000	0.000
539	C	585	LEU	0	-0.021	-0.026	59.267	0.001	0.001	0.000	0.000	0.000	0.000
540	C	586	GLU	-1	-0.939	-0.953	54.915	-0.025	-0.025	0.000	0.000	0.000	0.000
541	C	587	GLN	0	0.023	0.021	56.074	0.001	0.001	0.000	0.000	0.000	0.000
542	C	588	THR	0	0.009	0.011	58.471	0.001	0.001	0.000	0.000	0.000	0.000
543	C	589	ASN	0	-0.049	-0.037	53.456	0.001	0.001	0.000	0.000	0.000	0.000
544	C	590	SER	0	-0.005	-0.028	56.577	0.000	0.000	0.000	0.000	0.000	0.000
545	C	591	TYR	0	-0.085	-0.032	58.536	0.001	0.001	0.000	0.000	0.000	0.000
546	C	592	ASP	-1	-0.789	-0.865	61.075	-0.013	-0.013	0.000	0.000	0.000	0.000
547	C	593	LEU	0	-0.024	-0.026	61.656	0.000	0.000	0.000	0.000	0.000	0.000
548	C	594	VAL	0	0.022	0.001	63.726	0.000	0.000	0.000	0.000	0.000	0.000
549	C	595	PRO	0	0.003	-0.007	66.056	0.000	0.000	0.000	0.000	0.000	0.000
550	C	596	ARG	1	0.878	0.936	57.147	0.019	0.019	0.000	0.000	0.000	0.000
551	C	597	TRP	0	0.033	0.013	61.430	0.000	0.000	0.000	0.000	0.000	0.000
552	C	598	HIS	0	0.058	0.031	66.591	0.000	0.000	0.000	0.000	0.000	0.000
553	C	599	ASP	-1	-0.820	-0.865	66.134	-0.015	-0.015	0.000	0.000	0.000	0.000
554	C	600	ALA	0	0.042	0.022	64.737	0.000	0.000	0.000	0.000	0.000	0.000
555	C	601	PHE	0	0.040	0.001	66.605	0.000	0.000	0.000	0.000	0.000	0.000
556	C	602	SER	0	-0.023	-0.009	69.757	0.000	0.000	0.000	0.000	0.000	0.000
557	C	603	PHE	0	-0.036	-0.010	65.947	0.000	0.000	0.000	0.000	0.000	0.000
558	C	604	ALA	0	0.030	0.003	68.424	0.000	0.000	0.000	0.000	0.000	0.000
559	C	605	ALA	0	0.004	-0.004	70.085	0.000	0.000	0.000	0.000	0.000	0.000
560	C	606	GLY	0	-0.004	0.008	72.899	0.000	0.000	0.000	0.000	0.000	0.000
561	C	607	THR	0	0.021	0.007	69.541	0.000	0.000	0.000	0.000	0.000	0.000
562	C	608	VAL	0	-0.003	0.003	72.318	0.000	0.000	0.000	0.000	0.000	0.000
563	C	609	VAL	0	-0.051	-0.019	75.020	0.000	0.000	0.000	0.000	0.000	0.000
564	C	610	GLU	-1	-0.944	-0.958	72.689	-0.017	-0.017	0.000	0.000	0.000	0.000
565	C	611	VAL	0	0.022	-0.004	72.279	0.000	0.000	0.000	0.000	0.000	0.000
566	C	612	LEU	0	-0.036	-0.023	75.661	0.000	0.000	0.000	0.000	0.000	0.000
567	C	613	SER	0	-0.009	0.010	78.771	0.001	0.001	0.000	0.000	0.000	0.000
568	C	614	SER	0	-0.053	-0.026	81.011	0.000	0.000	0.000	0.000	0.000	0.000
569	C	615	THR	0	-0.039	-0.022	81.094	0.000	0.000	0.000	0.000	0.000	0.000
570	C	616	SER	0	0.021	-0.001	84.029	0.000	0.000	0.000	0.000	0.000	0.000
571	C	617	LEU	0	-0.040	-0.001	80.225	0.000	0.000	0.000	0.000	0.000	0.000
572	C	618	SER	0	0.048	0.023	84.326	0.000	0.000	0.000	0.000	0.000	0.000
573	C	619	LEU	0	0.069	0.014	81.854	0.000	0.000	0.000	0.000	0.000	0.000
574	C	620	ALA	0	-0.027	-0.011	81.919	0.000	0.000	0.000	0.000	0.000	0.000
575	C	621	ALA	0	0.029	0.018	82.175	0.000	0.000	0.000	0.000	0.000	0.000
576	C	622	VAL	0	0.052	0.028	77.194	0.000	0.000	0.000	0.000	0.000	0.000
577	C	623	ASN	0	-0.024	-0.023	77.533	-0.001	-0.001	0.000	0.000	0.000	0.000
578	C	624	ALA	0	-0.012	-0.005	77.700	0.000	0.000	0.000	0.000	0.000	0.000
579	C	625	TRP	0	0.066	0.040	70.856	0.000	0.000	0.000	0.000	0.000	0.000
580	C	626	LYS	1	0.849	0.928	72.453	0.013	0.013	0.000	0.000	0.000	0.000
581	C	627	VAL	0	-0.060	-0.034	72.884	0.000	0.000	0.000	0.000	0.000	0.000
582	C	628	ALA	0	0.052	0.034	73.510	0.000	0.000	0.000	0.000	0.000	0.000
583	C	629	ALA	0	0.016	0.003	70.238	0.000	0.000	0.000	0.000	0.000	0.000
584	C	630	ALA	0	-0.005	-0.006	68.923	-0.001	-0.001	0.000	0.000	0.000	0.000
585	C	631	GLU	-1	-0.944	-0.980	68.687	-0.014	-0.014	0.000	0.000	0.000	0.000
586	C	632	SER	0	-0.014	0.009	68.900	-0.001	-0.001	0.000	0.000	0.000	0.000
587	C	633	ALA	0	0.030	0.012	64.804	-0.001	-0.001	0.000	0.000	0.000	0.000
588	C	634	ILE	0	-0.019	0.007	64.326	0.000	0.000	0.000	0.000	0.000	0.000
589	C	635	SER	0	-0.037	-0.040	64.877	0.000	0.000	0.000	0.000	0.000	0.000
590	C	636	LEU	0	0.014	0.022	61.920	0.000	0.000	0.000	0.000	0.000	0.000
591	C	637	THR	0	-0.027	-0.031	59.457	-0.001	-0.001	0.000	0.000	0.000	0.000
592	C	638	ARG	1	0.944	0.966	60.205	0.014	0.014	0.000	0.000	0.000	0.000
593	C	639	GLN	0	0.041	0.033	61.162	0.000	0.000	0.000	0.000	0.000	0.000
594	C	640	VAL	0	0.017	0.015	56.298	-0.001	-0.001	0.000	0.000	0.000	0.000
595	C	641	ARG	1	0.858	0.924	56.315	0.017	0.017	0.000	0.000	0.000	0.000
596	C	642	GLU	-1	-0.800	-0.873	56.438	-0.018	-0.018	0.000	0.000	0.000	0.000
597	C	643	THR	0	-0.055	-0.015	55.813	0.000	0.000	0.000	0.000	0.000	0.000
598	C	644	PHE	0	-0.044	-0.023	48.584	-0.001	-0.001	0.000	0.000	0.000	0.000
599	C	645	TRP	0	-0.010	-0.026	50.692	-0.001	-0.001	0.000	0.000	0.000	0.000
600	C	646	SER	0	-0.083	-0.038	54.416	0.000	0.000	0.000	0.000	0.000	0.000
601	C	647	ALA	0	0.001	0.003	52.501	0.000	0.000	0.000	0.000	0.000	0.000
602	C	648	ALA	0	0.003	0.004	48.124	0.000	0.000	0.000	0.000	0.000	0.000
603	C	649	SER	0	-0.008	-0.054	44.463	0.000	0.000	0.000	0.000	0.000	0.000
604	C	650	THR	0	-0.019	-0.015	43.597	-0.001	-0.001	0.000	0.000	0.000	0.000
605	C	651	SER	0	-0.025	-0.012	45.599	-0.002	-0.002	0.000	0.000	0.000	0.000
606	C	652	SER	0	0.001	0.014	45.921	0.001	0.001	0.000	0.000	0.000	0.000
607	C	653	PRO	0	0.049	0.019	47.369	-0.002	-0.002	0.000	0.000	0.000	0.000
608	C	654	ALA	0	0.023	0.000	44.364	-0.002	-0.002	0.000	0.000	0.000	0.000
609	C	655	LEU	0	-0.039	-0.020	42.071	-0.003	-0.003	0.000	0.000	0.000	0.000
610	C	656	SER	0	-0.069	-0.020	44.216	-0.002	-0.002	0.000	0.000	0.000	0.000
611	C	657	TYR	0	-0.091	-0.082	45.261	-0.001	-0.001	0.000	0.000	0.000	0.000
612	C	658	LEU	0	0.001	0.012	39.805	-0.001	-0.001	0.000	0.000	0.000	0.000
613	C	659	SER	0	-0.010	-0.010	36.044	-0.002	-0.002	0.000	0.000	0.000	0.000
614	C	660	PRO	0	-0.002	-0.007	36.290	0.001	0.001	0.000	0.000	0.000	0.000
615	C	661	ARG	1	0.828	0.902	30.212	0.108	0.108	0.000	0.000	0.000	0.000
616	C	662	THR	0	-0.006	-0.046	33.767	0.000	0.000	0.000	0.000	0.000	0.000
617	C	663	GLN	0	0.017	0.010	35.630	0.006	0.006	0.000	0.000	0.000	0.000
618	C	664	ILE	0	-0.050	-0.018	31.323	0.002	0.002	0.000	0.000	0.000	0.000
619	C	665	LEU	0	0.033	0.006	31.834	0.003	0.003	0.000	0.000	0.000	0.000
620	C	666	TYR	0	-0.056	-0.066	34.389	0.004	0.004	0.000	0.000	0.000	0.000
621	C	667	ALA	0	0.022	0.014	37.156	0.004	0.004	0.000	0.000	0.000	0.000
622	C	668	PHE	0	-0.014	0.004	31.611	0.003	0.003	0.000	0.000	0.000	0.000
623	C	669	VAL	0	0.026	-0.001	35.605	0.004	0.004	0.000	0.000	0.000	0.000
624	C	670	ARG	1	0.817	0.900	37.581	0.034	0.034	0.000	0.000	0.000	0.000
625	C	671	GLU	-1	-0.823	-0.873	39.538	-0.030	-0.030	0.000	0.000	0.000	0.000
626	C	672	GLU	-1	-0.863	-0.912	33.504	-0.046	-0.046	0.000	0.000	0.000	0.000
627	C	673	LEU	0	-0.084	-0.039	34.172	0.003	0.003	0.000	0.000	0.000	0.000
628	C	674	GLY	0	-0.002	0.014	38.192	0.003	0.003	0.000	0.000	0.000	0.000
629	C	675	VAL	0	-0.037	-0.012	40.068	0.003	0.003	0.000	0.000	0.000	0.000
630	C	676	LYS	1	0.830	0.906	42.382	0.025	0.025	0.000	0.000	0.000	0.000
631	C	677	ALA	0	0.018	0.019	45.402	0.001	0.001	0.000	0.000	0.000	0.000
632	C	678	ARG	1	0.769	0.847	47.360	0.013	0.013	0.000	0.000	0.000	0.000
633	C	679	ARG	1	0.751	0.832	49.903	0.017	0.017	0.000	0.000	0.000	0.000
634	C	680	GLY	0	0.029	-0.002	53.570	0.000	0.000	0.000	0.000	0.000	0.000
635	C	681	ASP	-1	-0.820	-0.895	53.851	-0.009	-0.009	0.000	0.000	0.000	0.000
636	C	682	VAL	0	0.019	0.008	56.620	0.000	0.000	0.000	0.000	0.000	0.000
637	C	683	PHE	0	-0.018	-0.006	58.347	0.000	0.000	0.000	0.000	0.000	0.000
638	C	684	LEU	0	-0.019	-0.013	54.899	0.000	0.000	0.000	0.000	0.000	0.000
639	C	685	GLY	0	-0.007	0.022	59.369	0.000	0.000	0.000	0.000	0.000	0.000
640	C	686	LYS	1	0.842	0.901	53.919	0.012	0.012	0.000	0.000	0.000	0.000
641	C	687	GLN	0	-0.025	-0.008	55.681	0.000	0.000	0.000	0.000	0.000	0.000
642	C	688	GLU	-1	-0.859	-0.909	51.934	-0.013	-0.013	0.000	0.000	0.000	0.000
643	C	689	VAL	0	0.052	0.016	46.967	0.001	0.001	0.000	0.000	0.000	0.000
644	C	690	THR	0	0.050	0.042	47.416	-0.002	-0.002	0.000	0.000	0.000	0.000
645	C	691	ILE	0	0.065	0.034	44.994	0.000	0.000	0.000	0.000	0.000	0.000
646	C	692	GLY	0	0.048	0.035	43.583	-0.001	-0.001	0.000	0.000	0.000	0.000
647	C	693	SER	0	0.005	0.000	42.340	0.001	0.001	0.000	0.000	0.000	0.000
648	C	694	ASN	0	-0.029	-0.021	41.884	-0.002	-0.002	0.000	0.000	0.000	0.000
649	C	695	VAL	0	0.017	-0.003	38.855	-0.002	-0.002	0.000	0.000	0.000	0.000
650	C	696	SER	0	-0.005	-0.022	38.038	0.000	0.000	0.000	0.000	0.000	0.000
651	C	697	LYS	1	0.977	1.007	36.913	0.012	0.012	0.000	0.000	0.000	0.000
652	C	698	ILE	0	-0.016	-0.001	34.591	-0.002	-0.002	0.000	0.000	0.000	0.000
653	C	699	TYR	0	-0.032	-0.058	32.961	-0.002	-0.002	0.000	0.000	0.000	0.000
654	C	700	GLU	-1	-0.915	-0.952	32.185	-0.004	-0.004	0.000	0.000	0.000	0.000
655	C	701	ALA	0	-0.024	0.007	31.296	0.000	0.000	0.000	0.000	0.000	0.000
656	C	702	ILE	0	-0.026	-0.018	28.327	-0.005	-0.005	0.000	0.000	0.000	0.000
657	C	703	LYS	1	0.820	0.911	27.452	-0.012	-0.012	0.000	0.000	0.000	0.000
658	C	704	SER	0	-0.057	-0.041	26.930	0.002	0.002	0.000	0.000	0.000	0.000
659	C	705	GLY	0	-0.003	-0.007	24.763	0.000	0.000	0.000	0.000	0.000	0.000
660	C	706	ARG	1	0.822	0.911	25.576	0.024	0.024	0.000	0.000	0.000	0.000
661	C	707	ILE	0	0.024	0.007	27.329	-0.007	-0.007	0.000	0.000	0.000	0.000
662	C	708	ASN	0	0.030	0.012	22.142	-0.005	-0.005	0.000	0.000	0.000	0.000
663	C	709	ASN	0	0.049	0.008	22.934	-0.017	-0.017	0.000	0.000	0.000	0.000
664	C	710	VAL	0	-0.021	0.005	25.032	-0.008	-0.008	0.000	0.000	0.000	0.000
665	C	711	LEU	0	0.004	-0.008	25.386	-0.004	-0.004	0.000	0.000	0.000	0.000
666	C	712	LEU	0	0.029	0.019	20.707	-0.004	-0.004	0.000	0.000	0.000	0.000
667	C	713	LYS	1	0.944	0.978	24.203	0.078	0.078	0.000	0.000	0.000	0.000
668	C	714	MET	0	-0.069	-0.015	27.058	0.000	0.000	0.000	0.000	0.000	0.000
669	C	715	LEU	0	0.013	0.001	25.184	-0.001	-0.001	0.000	0.000	0.000	0.000
670	C	716	ALA	0	-0.030	0.008	23.526	-0.019	-0.019	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(C:26:ALA)