FMO DATABASE

FMODB ID: Q121Y

Calculation Name: 3NOW-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3NOW

Chain ID: A

ChEMBL ID:

UniProt ID: Q960B1

Base Structure: X-ray

Registration Date: 2023-06-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	786
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19103695.3801
FMO2-HF: Nuclear repulsion	18792258.440796
FMO2-HF: Total energy	-311436.939304
FMO2-MP2: Total energy	-312323.831894

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:138:ASN)

Summations of interaction energy for fragment #1(A:138:ASN)

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.
-11.518	-11.022	7.498	-3.036	-4.959	-0.003

Interaction energy analysis for fragmet #1(A:138:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.086 / q_NPA : 0.027

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	140	LYS	1	0.956	0.961	3.757	-7.225	-5.747	0.016	-0.550	-0.944	0.004
4	A	141	THR	0	0.060	0.027	3.449	-2.322	-1.225	0.027	-0.371	-0.754	0.001
5	A	142	SER	0	0.066	0.024	3.263	-0.666	-0.332	0.005	-0.087	-0.252	0.000
6	A	143	THR	0	-0.034	-0.001	5.653	0.097	0.097	0.000	0.000	0.000	0.000
7	A	144	LYS	1	0.971	0.987	8.502	-2.001	-2.001	0.000	0.000	0.000	0.000
8	A	145	VAL	0	0.054	0.040	7.356	-0.038	-0.038	0.000	0.000	0.000	0.000
9	A	146	LYS	1	0.960	0.979	9.102	1.063	1.063	0.000	0.000	0.000	0.000
10	A	147	GLN	0	0.035	0.016	12.061	0.116	0.116	0.000	0.000	0.000	0.000
11	A	148	MET	0	0.000	0.022	13.529	-0.001	-0.001	0.000	0.000	0.000	0.000
12	A	149	MET	0	-0.036	0.002	12.855	-0.051	-0.051	0.000	0.000	0.000	0.000
13	A	150	ASP	-1	-0.930	-0.949	15.731	-0.198	-0.198	0.000	0.000	0.000	0.000
14	A	151	LEU	0	-0.050	-0.028	17.733	0.011	0.011	0.000	0.000	0.000	0.000
15	A	152	THR	0	-0.013	-0.028	18.158	0.017	0.017	0.000	0.000	0.000	0.000
16	A	153	PHE	0	-0.040	-0.038	17.489	-0.008	-0.008	0.000	0.000	0.000	0.000
17	A	154	ASP	-1	-0.867	-0.931	22.043	-0.025	-0.025	0.000	0.000	0.000	0.000
18	A	155	LEU	0	-0.086	-0.051	24.195	0.019	0.019	0.000	0.000	0.000	0.000
19	A	156	ALA	0	0.001	0.030	26.237	0.011	0.011	0.000	0.000	0.000	0.000
20	A	157	THR	0	-0.045	-0.039	22.678	0.014	0.014	0.000	0.000	0.000	0.000
21	A	158	PRO	0	0.057	0.025	25.956	-0.009	-0.009	0.000	0.000	0.000	0.000
22	A	159	ILE	0	-0.045	-0.027	27.586	-0.007	-0.007	0.000	0.000	0.000	0.000
23	A	160	ASP	-1	-0.901	-0.974	23.582	0.194	0.194	0.000	0.000	0.000	0.000
24	A	161	LYS	1	0.914	0.982	22.660	0.034	0.034	0.000	0.000	0.000	0.000
25	A	162	ARG	1	0.988	0.982	22.330	-0.085	-0.085	0.000	0.000	0.000	0.000
26	A	163	ARG	1	0.895	0.971	21.158	-0.231	-0.231	0.000	0.000	0.000	0.000
27	A	164	ALA	0	0.041	-0.002	18.211	0.045	0.045	0.000	0.000	0.000	0.000
28	A	165	ALA	0	0.049	0.036	17.902	0.002	0.002	0.000	0.000	0.000	0.000
29	A	166	ALA	0	0.017	0.008	18.892	0.002	0.002	0.000	0.000	0.000	0.000
30	A	167	ASN	0	-0.038	-0.030	14.938	0.065	0.065	0.000	0.000	0.000	0.000
31	A	168	ASN	0	-0.023	-0.015	14.720	0.034	0.034	0.000	0.000	0.000	0.000
32	A	169	LEU	0	0.011	-0.018	14.343	0.018	0.018	0.000	0.000	0.000	0.000
33	A	170	VAL	0	-0.040	-0.008	13.103	-0.008	-0.008	0.000	0.000	0.000	0.000
34	A	171	VAL	0	-0.049	-0.023	8.753	0.073	0.073	0.000	0.000	0.000	0.000
35	A	172	LEU	0	-0.029	0.002	9.719	0.032	0.032	0.000	0.000	0.000	0.000
36	A	173	ALA	0	0.030	0.023	11.293	-0.102	-0.102	0.000	0.000	0.000	0.000
37	A	174	LYS	1	0.928	0.977	11.442	-0.047	-0.047	0.000	0.000	0.000	0.000
38	A	175	GLU	-1	-0.905	-0.959	7.316	1.628	1.628	0.000	0.000	0.000	0.000
39	A	176	GLN	0	0.035	0.024	6.640	-0.205	-0.205	0.000	0.000	0.000	0.000
40	A	177	THR	0	-0.029	-0.015	1.798	-0.265	-2.921	7.451	-1.958	-2.837	-0.008
41	A	178	GLY	0	-0.021	-0.003	4.037	0.141	0.384	-0.001	-0.070	-0.172	0.000
42	A	179	ALA	0	0.040	0.003	6.958	-0.168	-0.168	0.000	0.000	0.000	0.000
43	A	180	GLU	-1	-0.976	-1.002	5.877	-4.916	-4.916	0.000	0.000	0.000	0.000
44	A	181	LEU	0	-0.018	-0.005	4.925	-0.009	-0.009	0.000	0.000	0.000	0.000
45	A	182	LEU	0	0.051	0.034	8.701	0.226	0.226	0.000	0.000	0.000	0.000
46	A	183	TYR	0	-0.010	-0.008	11.781	0.176	0.176	0.000	0.000	0.000	0.000
47	A	184	LYS	1	0.988	0.991	9.297	2.590	2.590	0.000	0.000	0.000	0.000
48	A	185	ASP	-1	-0.985	-0.990	10.915	-1.184	-1.184	0.000	0.000	0.000	0.000
49	A	186	HIS	0	0.000	-0.019	13.484	0.193	0.193	0.000	0.000	0.000	0.000
50	A	187	CYS	0	-0.001	0.014	14.837	0.139	0.139	0.000	0.000	0.000	0.000
51	A	188	ILE	0	0.044	0.012	16.818	0.083	0.083	0.000	0.000	0.000	0.000
52	A	189	ALA	0	0.080	0.044	19.561	0.065	0.065	0.000	0.000	0.000	0.000
53	A	190	LYS	1	0.880	0.951	17.040	0.494	0.494	0.000	0.000	0.000	0.000
54	A	191	VAL	0	0.038	0.023	19.822	0.055	0.055	0.000	0.000	0.000	0.000
55	A	192	ALA	0	0.036	0.036	22.333	0.041	0.041	0.000	0.000	0.000	0.000
56	A	193	SER	0	-0.103	-0.051	24.647	0.029	0.029	0.000	0.000	0.000	0.000
57	A	194	LEU	0	-0.001	-0.007	23.115	0.020	0.020	0.000	0.000	0.000	0.000
58	A	195	THR	0	0.008	-0.022	25.534	0.025	0.025	0.000	0.000	0.000	0.000
59	A	196	LYS	1	0.906	0.973	27.901	0.203	0.203	0.000	0.000	0.000	0.000
60	A	197	VAL	0	-0.056	-0.022	30.083	0.011	0.011	0.000	0.000	0.000	0.000
61	A	198	GLU	-1	-0.824	-0.911	27.421	-0.015	-0.015	0.000	0.000	0.000	0.000
62	A	199	LYS	1	0.903	0.948	30.055	0.048	0.048	0.000	0.000	0.000	0.000
63	A	200	ASP	-1	-0.870	-0.946	29.041	0.053	0.053	0.000	0.000	0.000	0.000
64	A	201	GLN	0	0.037	0.000	29.523	-0.009	-0.009	0.000	0.000	0.000	0.000
65	A	202	ASP	-1	-0.947	-0.972	26.465	0.096	0.096	0.000	0.000	0.000	0.000
66	A	203	ILE	0	-0.011	-0.017	23.761	0.001	0.001	0.000	0.000	0.000	0.000
67	A	204	TYR	0	0.004	0.003	24.698	-0.020	-0.020	0.000	0.000	0.000	0.000
68	A	205	VAL	0	0.029	0.019	25.816	-0.023	-0.023	0.000	0.000	0.000	0.000
69	A	206	ASN	0	-0.022	-0.021	21.591	-0.013	-0.013	0.000	0.000	0.000	0.000
70	A	207	MET	0	-0.021	0.004	20.127	-0.032	-0.032	0.000	0.000	0.000	0.000
71	A	208	VAL	0	0.036	0.014	21.624	-0.043	-0.043	0.000	0.000	0.000	0.000
72	A	209	HIS	0	0.011	0.002	20.541	-0.041	-0.041	0.000	0.000	0.000	0.000
73	A	210	LEU	0	-0.011	0.008	15.906	-0.022	-0.022	0.000	0.000	0.000	0.000
74	A	211	VAL	0	0.003	-0.004	17.462	-0.072	-0.072	0.000	0.000	0.000	0.000
75	A	212	ALA	0	0.039	0.005	19.032	-0.057	-0.057	0.000	0.000	0.000	0.000
76	A	213	ALA	0	-0.005	-0.010	15.184	-0.037	-0.037	0.000	0.000	0.000	0.000
77	A	214	LEU	0	-0.046	-0.010	13.072	-0.095	-0.095	0.000	0.000	0.000	0.000
78	A	215	CYS	0	-0.032	-0.002	15.093	-0.117	-0.117	0.000	0.000	0.000	0.000
79	A	216	GLU	-1	-0.910	-0.961	15.775	-0.176	-0.176	0.000	0.000	0.000	0.000
80	A	217	ASN	0	-0.079	-0.044	15.227	-0.059	-0.059	0.000	0.000	0.000	0.000
81	A	218	SER	0	0.035	0.025	14.137	-0.103	-0.103	0.000	0.000	0.000	0.000
82	A	219	VAL	0	0.022	0.004	16.173	0.035	0.035	0.000	0.000	0.000	0.000
83	A	220	GLU	-1	-0.965	-0.974	15.130	-1.181	-1.181	0.000	0.000	0.000	0.000
84	A	221	ARG	1	0.941	0.962	11.034	1.254	1.254	0.000	0.000	0.000	0.000
85	A	222	THR	0	0.012	0.022	16.942	0.085	0.085	0.000	0.000	0.000	0.000
86	A	223	LYS	1	0.883	0.938	20.080	0.489	0.489	0.000	0.000	0.000	0.000
87	A	224	GLY	0	-0.035	-0.019	19.771	0.034	0.034	0.000	0.000	0.000	0.000
88	A	225	VAL	0	0.014	-0.008	19.076	0.034	0.034	0.000	0.000	0.000	0.000
89	A	226	LEU	0	-0.079	-0.047	21.637	0.045	0.045	0.000	0.000	0.000	0.000
90	A	227	THR	0	-0.063	-0.011	24.214	0.035	0.035	0.000	0.000	0.000	0.000
91	A	228	GLU	-1	-0.944	-0.967	21.265	-0.494	-0.494	0.000	0.000	0.000	0.000
92	A	229	LEU	0	-0.044	-0.023	23.529	0.035	0.035	0.000	0.000	0.000	0.000
93	A	230	GLY	0	0.072	0.033	26.747	-0.008	-0.008	0.000	0.000	0.000	0.000
94	A	231	VAL	0	0.124	0.047	29.188	0.008	0.008	0.000	0.000	0.000	0.000
95	A	232	PRO	0	-0.007	-0.026	30.099	0.011	0.011	0.000	0.000	0.000	0.000
96	A	233	TRP	0	-0.094	-0.032	25.340	0.011	0.011	0.000	0.000	0.000	0.000
97	A	234	PHE	0	0.066	0.015	23.975	0.016	0.016	0.000	0.000	0.000	0.000
98	A	235	MET	0	-0.030	-0.006	29.541	0.015	0.015	0.000	0.000	0.000	0.000
99	A	236	ARG	1	0.969	0.982	32.328	0.161	0.161	0.000	0.000	0.000	0.000
100	A	237	VAL	0	-0.038	-0.004	28.163	0.012	0.012	0.000	0.000	0.000	0.000
101	A	238	LEU	0	-0.034	-0.025	31.504	0.014	0.014	0.000	0.000	0.000	0.000
102	A	239	ASP	-1	-0.790	-0.884	33.864	-0.066	-0.066	0.000	0.000	0.000	0.000
103	A	240	GLN	0	-0.011	0.009	32.839	0.007	0.007	0.000	0.000	0.000	0.000
104	A	241	LYS	1	0.955	0.976	35.783	0.053	0.053	0.000	0.000	0.000	0.000
105	A	242	HIS	0	-0.015	-0.001	35.185	0.011	0.011	0.000	0.000	0.000	0.000
106	A	243	GLU	-1	-0.878	-0.951	35.040	0.014	0.014	0.000	0.000	0.000	0.000
107	A	244	ASN	0	0.011	-0.013	30.464	-0.002	-0.002	0.000	0.000	0.000	0.000
108	A	245	CYS	0	-0.064	0.020	30.548	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	246	VAL	0	0.065	0.015	30.800	-0.012	-0.012	0.000	0.000	0.000	0.000
110	A	247	SER	0	0.016	0.000	30.059	-0.012	-0.012	0.000	0.000	0.000	0.000
111	A	248	THR	0	-0.024	-0.016	25.410	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	249	ALA	0	0.026	0.007	26.708	-0.021	-0.021	0.000	0.000	0.000	0.000
113	A	250	GLN	0	-0.090	-0.042	28.036	-0.013	-0.013	0.000	0.000	0.000	0.000
114	A	251	PHE	0	0.008	0.021	21.159	-0.012	-0.012	0.000	0.000	0.000	0.000
115	A	252	CYS	0	-0.020	0.018	23.449	-0.024	-0.024	0.000	0.000	0.000	0.000
116	A	253	LEU	0	0.028	0.021	24.467	-0.026	-0.026	0.000	0.000	0.000	0.000
117	A	254	GLN	0	0.007	0.017	26.202	-0.005	-0.005	0.000	0.000	0.000	0.000
118	A	255	THR	0	-0.023	-0.012	19.800	-0.012	-0.012	0.000	0.000	0.000	0.000
119	A	256	ILE	0	-0.011	-0.018	22.151	-0.038	-0.038	0.000	0.000	0.000	0.000
120	A	257	LEU	0	-0.009	-0.005	23.614	-0.025	-0.025	0.000	0.000	0.000	0.000
121	A	258	ASN	0	-0.003	0.006	22.701	-0.001	-0.001	0.000	0.000	0.000	0.000
122	A	259	ALA	0	0.001	0.000	19.757	-0.013	-0.013	0.000	0.000	0.000	0.000
123	A	260	LEU	0	-0.102	-0.050	21.270	-0.031	-0.031	0.000	0.000	0.000	0.000
124	A	261	SER	0	0.065	0.001	24.081	0.001	0.001	0.000	0.000	0.000	0.000
125	A	262	GLY	0	0.002	0.009	22.509	0.014	0.014	0.000	0.000	0.000	0.000
126	A	263	LEU	0	-0.024	0.016	23.517	0.015	0.015	0.000	0.000	0.000	0.000
127	A	264	LYS	1	0.893	0.948	18.803	0.291	0.291	0.000	0.000	0.000	0.000
128	A	265	ASN	0	0.019	0.012	21.788	0.005	0.005	0.000	0.000	0.000	0.000
129	A	266	LYS	1	0.890	0.931	20.619	0.117	0.117	0.000	0.000	0.000	0.000
130	A	267	PRO	0	0.028	0.004	24.945	-0.017	-0.017	0.000	0.000	0.000	0.000
131	A	268	ASP	-1	-0.883	-0.934	28.513	-0.060	-0.060	0.000	0.000	0.000	0.000
132	A	269	SER	0	0.004	0.025	25.834	-0.013	-0.013	0.000	0.000	0.000	0.000
133	A	270	LYS	1	0.953	0.963	27.861	0.100	0.100	0.000	0.000	0.000	0.000
134	A	271	PRO	0	-0.007	-0.002	27.091	-0.011	-0.011	0.000	0.000	0.000	0.000
135	A	272	ASP	-1	-0.864	-0.931	23.653	-0.278	-0.278	0.000	0.000	0.000	0.000
136	A	273	LYS	1	0.994	0.975	27.232	0.189	0.189	0.000	0.000	0.000	0.000
137	A	274	GLU	-1	-0.964	-0.981	25.623	-0.343	-0.343	0.000	0.000	0.000	0.000
138	A	275	LEU	0	-0.029	-0.023	21.446	-0.009	-0.009	0.000	0.000	0.000	0.000
139	A	276	CYS	0	0.031	0.031	26.140	-0.004	-0.004	0.000	0.000	0.000	0.000
140	A	277	THR	0	-0.035	-0.010	29.317	0.014	0.014	0.000	0.000	0.000	0.000
141	A	278	ARG	1	0.905	0.960	21.802	0.457	0.457	0.000	0.000	0.000	0.000
142	A	279	ASN	0	0.008	-0.015	23.501	-0.019	-0.019	0.000	0.000	0.000	0.000
143	A	280	ASN	0	0.069	0.037	27.870	-0.004	-0.004	0.000	0.000	0.000	0.000
144	A	281	ARG	1	0.909	0.970	30.220	0.309	0.309	0.000	0.000	0.000	0.000
145	A	282	GLU	-1	-0.821	-0.916	26.767	-0.353	-0.353	0.000	0.000	0.000	0.000
146	A	283	ILE	0	0.012	0.004	27.791	0.012	0.012	0.000	0.000	0.000	0.000
147	A	284	ASP	-1	-0.825	-0.914	30.244	-0.163	-0.163	0.000	0.000	0.000	0.000
148	A	285	THR	0	-0.045	-0.033	31.363	0.011	0.011	0.000	0.000	0.000	0.000
149	A	286	LEU	0	-0.044	-0.018	28.278	0.008	0.008	0.000	0.000	0.000	0.000
150	A	287	LEU	0	0.047	0.031	32.010	0.014	0.014	0.000	0.000	0.000	0.000
151	A	288	THR	0	-0.026	-0.016	35.079	0.013	0.013	0.000	0.000	0.000	0.000
152	A	289	CYS	0	-0.016	-0.012	33.872	0.008	0.008	0.000	0.000	0.000	0.000
153	A	290	LEU	0	0.016	0.019	32.670	0.011	0.011	0.000	0.000	0.000	0.000
154	A	291	VAL	0	0.043	0.011	36.558	0.011	0.011	0.000	0.000	0.000	0.000
155	A	292	TYR	0	-0.073	-0.045	39.479	0.011	0.011	0.000	0.000	0.000	0.000
156	A	293	SER	0	-0.007	-0.011	37.550	0.002	0.002	0.000	0.000	0.000	0.000
157	A	294	ILE	0	-0.028	0.005	39.832	0.007	0.007	0.000	0.000	0.000	0.000
158	A	295	THR	0	-0.017	-0.017	42.146	0.004	0.004	0.000	0.000	0.000	0.000
159	A	296	ASP	-1	-0.867	-0.903	40.882	-0.099	-0.099	0.000	0.000	0.000	0.000
160	A	297	ARG	1	0.924	0.930	43.804	0.072	0.072	0.000	0.000	0.000	0.000
161	A	298	THR	0	-0.073	-0.022	40.662	0.004	0.004	0.000	0.000	0.000	0.000
162	A	299	ILE	0	-0.061	-0.017	38.445	0.002	0.002	0.000	0.000	0.000	0.000
163	A	300	SER	0	-0.035	-0.029	40.514	0.006	0.006	0.000	0.000	0.000	0.000
164	A	301	GLY	0	0.030	-0.003	41.756	-0.004	-0.004	0.000	0.000	0.000	0.000
165	A	302	ALA	0	0.002	0.005	38.980	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	303	ALA	0	0.008	0.003	37.273	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	304	ARG	1	0.876	0.962	37.968	0.062	0.062	0.000	0.000	0.000	0.000
168	A	305	ASP	-1	-0.807	-0.892	39.965	-0.047	-0.047	0.000	0.000	0.000	0.000
169	A	306	GLY	0	-0.003	-0.012	35.894	-0.003	-0.003	0.000	0.000	0.000	0.000
170	A	307	VAL	0	0.003	-0.002	35.415	-0.008	-0.008	0.000	0.000	0.000	0.000
171	A	308	ILE	0	0.030	0.003	36.730	-0.005	-0.005	0.000	0.000	0.000	0.000
172	A	309	GLU	-1	-0.869	-0.948	36.314	-0.046	-0.046	0.000	0.000	0.000	0.000
173	A	310	LEU	0	-0.026	-0.017	30.514	-0.002	-0.002	0.000	0.000	0.000	0.000
174	A	311	ILE	0	-0.025	-0.006	34.201	-0.007	-0.007	0.000	0.000	0.000	0.000
175	A	312	THR	0	-0.002	-0.013	36.607	0.000	0.000	0.000	0.000	0.000	0.000
176	A	313	ARG	1	0.814	0.884	31.918	0.061	0.061	0.000	0.000	0.000	0.000
177	A	314	ASN	0	-0.040	-0.031	30.873	-0.007	-0.007	0.000	0.000	0.000	0.000
178	A	315	VAL	0	-0.020	-0.005	34.046	-0.008	-0.008	0.000	0.000	0.000	0.000
179	A	316	HIS	0	0.037	0.019	33.869	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	317	TYR	0	-0.050	-0.008	30.367	0.000	0.000	0.000	0.000	0.000	0.000
181	A	318	THR	0	0.041	0.006	34.793	-0.007	-0.007	0.000	0.000	0.000	0.000
182	A	319	ALA	0	-0.061	-0.024	31.964	-0.003	-0.003	0.000	0.000	0.000	0.000
183	A	320	LEU	0	0.018	-0.006	30.011	-0.015	-0.015	0.000	0.000	0.000	0.000
184	A	321	GLU	-1	-0.925	-0.957	33.874	-0.146	-0.146	0.000	0.000	0.000	0.000
185	A	322	TRP	0	0.004	-0.008	31.771	0.005	0.005	0.000	0.000	0.000	0.000
186	A	323	ALA	0	0.003	0.017	37.570	0.004	0.004	0.000	0.000	0.000	0.000
187	A	324	GLU	-1	-0.828	-0.911	40.837	-0.095	-0.095	0.000	0.000	0.000	0.000
188	A	325	ARG	1	0.879	0.934	37.836	0.156	0.156	0.000	0.000	0.000	0.000
189	A	326	LEU	0	-0.016	-0.007	39.839	0.000	0.000	0.000	0.000	0.000	0.000
190	A	327	VAL	0	0.013	0.004	41.686	0.004	0.004	0.000	0.000	0.000	0.000
191	A	328	GLU	-1	-0.850	-0.913	43.321	-0.126	-0.126	0.000	0.000	0.000	0.000
192	A	329	ILE	0	-0.104	-0.034	40.851	0.002	0.002	0.000	0.000	0.000	0.000
193	A	330	ARG	1	0.964	0.963	44.294	0.085	0.085	0.000	0.000	0.000	0.000
194	A	331	GLY	0	0.015	-0.005	43.976	0.003	0.003	0.000	0.000	0.000	0.000
195	A	332	LEU	0	0.010	0.010	44.885	0.004	0.004	0.000	0.000	0.000	0.000
196	A	333	CYS	0	-0.025	-0.009	47.641	0.005	0.005	0.000	0.000	0.000	0.000
197	A	334	ARG	1	0.894	0.959	44.214	0.105	0.105	0.000	0.000	0.000	0.000
198	A	335	LEU	0	0.006	-0.002	43.019	0.003	0.003	0.000	0.000	0.000	0.000
199	A	336	LEU	0	0.024	0.004	46.786	0.004	0.004	0.000	0.000	0.000	0.000
200	A	337	ASP	-1	-0.881	-0.919	49.141	-0.064	-0.064	0.000	0.000	0.000	0.000
201	A	338	VAL	0	-0.027	-0.018	45.346	0.003	0.003	0.000	0.000	0.000	0.000
202	A	339	CYS	0	-0.097	-0.036	48.699	0.003	0.003	0.000	0.000	0.000	0.000
203	A	340	SER	0	-0.053	-0.029	50.907	0.003	0.003	0.000	0.000	0.000	0.000
204	A	341	GLU	-1	-0.889	-0.944	50.692	-0.048	-0.048	0.000	0.000	0.000	0.000
205	A	342	LEU	0	-0.029	-0.018	52.922	0.003	0.003	0.000	0.000	0.000	0.000
206	A	343	GLU	-1	-0.932	-0.972	51.024	-0.025	-0.025	0.000	0.000	0.000	0.000
207	A	344	ASP	-1	-0.969	-0.968	53.991	-0.019	-0.019	0.000	0.000	0.000	0.000
208	A	345	TYR	0	-0.089	-0.064	57.462	0.000	0.000	0.000	0.000	0.000	0.000
209	A	346	LYS	1	0.991	1.003	53.832	0.032	0.032	0.000	0.000	0.000	0.000
210	A	347	TYR	0	0.000	0.005	57.148	0.001	0.001	0.000	0.000	0.000	0.000
211	A	348	GLU	-1	-0.920	-0.964	56.862	-0.046	-0.046	0.000	0.000	0.000	0.000
212	A	349	SER	0	-0.048	-0.012	54.436	-0.002	-0.002	0.000	0.000	0.000	0.000
213	A	350	ALA	0	0.005	0.003	52.682	0.000	0.000	0.000	0.000	0.000	0.000
214	A	351	MET	0	-0.079	-0.033	47.116	-0.005	-0.005	0.000	0.000	0.000	0.000
215	A	352	ASP	-1	-0.855	-0.922	45.799	-0.041	-0.041	0.000	0.000	0.000	0.000
216	A	353	ILE	0	-0.003	-0.016	45.930	-0.005	-0.005	0.000	0.000	0.000	0.000
217	A	354	THR	0	0.007	-0.007	43.919	0.004	0.004	0.000	0.000	0.000	0.000
218	A	355	GLY	0	0.051	0.025	46.989	-0.001	-0.001	0.000	0.000	0.000	0.000
219	A	356	SER	0	-0.027	-0.020	44.245	0.002	0.002	0.000	0.000	0.000	0.000
220	A	357	SER	0	-0.002	0.006	44.558	-0.002	-0.002	0.000	0.000	0.000	0.000
221	A	358	SER	0	0.043	0.024	46.105	-0.003	-0.003	0.000	0.000	0.000	0.000
222	A	359	THR	0	0.014	-0.006	46.248	0.000	0.000	0.000	0.000	0.000	0.000
223	A	360	ILE	0	-0.013	-0.015	41.271	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	361	ALA	0	0.027	0.014	43.673	-0.004	-0.004	0.000	0.000	0.000	0.000
225	A	362	SER	0	0.003	-0.013	45.428	-0.003	-0.003	0.000	0.000	0.000	0.000
226	A	363	VAL	0	-0.051	-0.020	42.963	0.000	0.000	0.000	0.000	0.000	0.000
227	A	364	CYS	0	-0.026	0.013	41.313	-0.004	-0.004	0.000	0.000	0.000	0.000
228	A	365	LEU	0	0.005	-0.004	43.277	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	366	ALA	0	-0.012	-0.008	46.447	-0.002	-0.002	0.000	0.000	0.000	0.000
230	A	367	ARG	1	0.918	0.963	38.705	0.053	0.053	0.000	0.000	0.000	0.000
231	A	368	ILE	0	0.001	-0.015	42.224	-0.004	-0.004	0.000	0.000	0.000	0.000
232	A	369	TYR	0	0.028	0.005	43.716	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	370	GLU	-1	-0.972	-0.983	43.858	-0.048	-0.048	0.000	0.000	0.000	0.000
234	A	371	ASN	0	-0.047	-0.018	40.673	-0.004	-0.004	0.000	0.000	0.000	0.000
235	A	372	MET	0	-0.036	0.005	43.622	-0.006	-0.006	0.000	0.000	0.000	0.000
236	A	373	TYR	0	-0.029	-0.029	40.378	0.002	0.002	0.000	0.000	0.000	0.000
237	A	374	TYR	0	0.025	0.018	46.038	0.005	0.005	0.000	0.000	0.000	0.000
238	A	375	ASP	-1	-0.876	-0.955	49.859	-0.057	-0.057	0.000	0.000	0.000	0.000
239	A	376	GLU	-1	-0.943	-0.985	51.452	-0.077	-0.077	0.000	0.000	0.000	0.000
240	A	377	ALA	0	-0.018	-0.004	47.618	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	378	LYS	1	0.938	0.966	49.685	0.059	0.059	0.000	0.000	0.000	0.000
242	A	379	ALA	0	0.013	0.023	51.521	0.002	0.002	0.000	0.000	0.000	0.000
243	A	380	ARG	1	0.924	0.954	47.016	0.093	0.093	0.000	0.000	0.000	0.000
244	A	381	PHE	0	-0.002	0.002	47.244	0.000	0.000	0.000	0.000	0.000	0.000
245	A	382	THR	0	-0.022	-0.032	50.906	0.001	0.001	0.000	0.000	0.000	0.000
246	A	383	ASP	-1	-0.883	-0.925	54.397	-0.062	-0.062	0.000	0.000	0.000	0.000
247	A	384	GLN	0	-0.012	-0.004	48.365	0.000	0.000	0.000	0.000	0.000	0.000
248	A	385	ILE	0	-0.065	-0.035	50.950	0.001	0.001	0.000	0.000	0.000	0.000
249	A	386	ASP	-1	-0.842	-0.936	54.419	-0.050	-0.050	0.000	0.000	0.000	0.000
250	A	387	GLU	-1	-1.011	-1.009	56.018	-0.070	-0.070	0.000	0.000	0.000	0.000
251	A	388	TYR	0	-0.043	-0.054	52.698	0.002	0.002	0.000	0.000	0.000	0.000
252	A	389	ILE	0	-0.034	-0.015	56.249	0.002	0.002	0.000	0.000	0.000	0.000
253	A	390	LYS	1	0.933	0.956	59.184	0.057	0.057	0.000	0.000	0.000	0.000
254	A	391	ASP	-1	-0.957	-0.974	58.188	-0.060	-0.060	0.000	0.000	0.000	0.000
255	A	392	LYS	1	0.917	0.967	54.978	0.061	0.061	0.000	0.000	0.000	0.000
256	A	393	LEU	0	-0.019	-0.011	60.826	0.002	0.002	0.000	0.000	0.000	0.000
257	A	394	LEU	0	-0.032	-0.004	64.006	0.002	0.002	0.000	0.000	0.000	0.000
258	A	395	ALA	0	-0.026	-0.011	64.804	0.000	0.000	0.000	0.000	0.000	0.000
259	A	396	PRO	0	-0.035	-0.003	65.806	0.000	0.000	0.000	0.000	0.000	0.000
260	A	397	ASP	-1	-0.839	-0.930	64.491	-0.040	-0.040	0.000	0.000	0.000	0.000
261	A	398	MET	0	-0.006	-0.022	66.162	0.000	0.000	0.000	0.000	0.000	0.000
262	A	399	GLU	-1	-0.930	-0.947	59.381	-0.046	-0.046	0.000	0.000	0.000	0.000
263	A	400	SER	0	0.041	0.020	61.375	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	401	LYS	1	0.942	0.963	61.920	0.031	0.031	0.000	0.000	0.000	0.000
265	A	402	VAL	0	-0.027	-0.026	60.535	0.001	0.001	0.000	0.000	0.000	0.000
266	A	403	ARG	1	0.955	0.979	54.230	0.048	0.048	0.000	0.000	0.000	0.000
267	A	404	VAL	0	0.028	0.029	57.963	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	405	THR	0	-0.002	-0.013	59.105	0.000	0.000	0.000	0.000	0.000	0.000
269	A	406	VAL	0	0.029	0.027	55.399	0.001	0.001	0.000	0.000	0.000	0.000
270	A	407	ALA	0	0.029	0.012	54.644	0.000	0.000	0.000	0.000	0.000	0.000
271	A	408	ILE	0	0.012	0.007	55.016	0.000	0.000	0.000	0.000	0.000	0.000
272	A	409	THR	0	-0.028	-0.031	56.576	0.002	0.002	0.000	0.000	0.000	0.000
273	A	410	ALA	0	-0.035	-0.013	51.738	0.001	0.001	0.000	0.000	0.000	0.000
274	A	411	LEU	0	0.007	0.017	52.184	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	412	LEU	0	-0.037	-0.009	53.845	0.000	0.000	0.000	0.000	0.000	0.000
276	A	413	ASN	0	-0.083	-0.046	52.840	0.002	0.002	0.000	0.000	0.000	0.000
277	A	414	GLY	0	0.042	0.025	49.994	0.001	0.001	0.000	0.000	0.000	0.000
278	A	415	PRO	0	-0.024	0.002	49.322	0.002	0.002	0.000	0.000	0.000	0.000
279	A	416	LEU	0	0.009	0.009	51.335	0.000	0.000	0.000	0.000	0.000	0.000
280	A	417	ASP	-1	-0.905	-0.952	54.582	-0.038	-0.038	0.000	0.000	0.000	0.000
281	A	418	VAL	0	-0.007	-0.001	52.294	0.000	0.000	0.000	0.000	0.000	0.000
282	A	419	GLY	0	0.039	0.018	55.405	0.000	0.000	0.000	0.000	0.000	0.000
283	A	420	ASN	0	-0.008	-0.032	56.947	0.002	0.002	0.000	0.000	0.000	0.000
284	A	421	GLN	0	-0.057	-0.037	56.647	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	422	VAL	0	0.034	0.020	57.275	0.000	0.000	0.000	0.000	0.000	0.000
286	A	423	VAL	0	-0.002	-0.017	60.508	0.001	0.001	0.000	0.000	0.000	0.000
287	A	424	ALA	0	-0.093	-0.054	63.041	0.001	0.001	0.000	0.000	0.000	0.000
288	A	425	ARG	1	0.859	0.991	61.252	0.049	0.049	0.000	0.000	0.000	0.000
289	A	426	GLU	-1	-0.758	-0.949	64.221	-0.036	-0.036	0.000	0.000	0.000	0.000
290	A	427	GLY	0	-0.068	-0.015	67.236	0.000	0.000	0.000	0.000	0.000	0.000
291	A	428	ILE	0	-0.006	0.020	62.642	0.001	0.001	0.000	0.000	0.000	0.000
292	A	429	LEU	0	0.016	0.012	66.864	0.001	0.001	0.000	0.000	0.000	0.000
293	A	430	GLN	0	0.003	-0.014	68.119	0.001	0.001	0.000	0.000	0.000	0.000
294	A	431	MET	0	0.021	0.028	64.420	0.001	0.001	0.000	0.000	0.000	0.000
295	A	432	ILE	0	0.051	0.014	63.726	0.001	0.001	0.000	0.000	0.000	0.000
296	A	433	LEU	0	-0.030	-0.009	67.806	0.001	0.001	0.000	0.000	0.000	0.000
297	A	434	ALA	0	-0.006	-0.006	71.035	0.001	0.001	0.000	0.000	0.000	0.000
298	A	435	MET	0	-0.039	-0.015	65.392	0.000	0.000	0.000	0.000	0.000	0.000
299	A	436	ALA	0	-0.028	-0.017	69.213	0.001	0.001	0.000	0.000	0.000	0.000
300	A	437	THR	0	-0.096	-0.063	70.396	0.002	0.002	0.000	0.000	0.000	0.000
301	A	438	THR	0	-0.064	0.007	71.307	0.001	0.001	0.000	0.000	0.000	0.000
302	A	439	ASP	-1	-0.858	-0.939	73.817	-0.015	-0.015	0.000	0.000	0.000	0.000
303	A	440	ASP	-1	-0.861	-0.930	69.033	-0.024	-0.024	0.000	0.000	0.000	0.000
304	A	441	GLU	-1	-0.867	-0.940	68.226	-0.014	-0.014	0.000	0.000	0.000	0.000
305	A	442	LEU	0	-0.002	-0.001	61.934	0.000	0.000	0.000	0.000	0.000	0.000
306	A	443	GLN	0	0.026	-0.015	64.756	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	444	GLN	0	0.003	-0.001	66.367	0.001	0.001	0.000	0.000	0.000	0.000
308	A	445	ARG	1	0.900	0.948	58.986	0.022	0.022	0.000	0.000	0.000	0.000
309	A	446	VAL	0	0.016	0.006	60.363	0.001	0.001	0.000	0.000	0.000	0.000
310	A	447	ALA	0	0.029	0.031	62.184	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	448	CYS	0	-0.027	-0.025	64.378	0.001	0.001	0.000	0.000	0.000	0.000
312	A	449	GLU	-1	-0.840	-0.885	58.136	-0.021	-0.021	0.000	0.000	0.000	0.000
313	A	450	CYS	0	0.039	0.033	60.430	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	451	LEU	0	-0.001	-0.002	61.712	0.000	0.000	0.000	0.000	0.000	0.000
315	A	452	ILE	0	-0.023	-0.025	60.146	0.001	0.001	0.000	0.000	0.000	0.000
316	A	453	ALA	0	-0.016	-0.007	58.045	0.001	0.001	0.000	0.000	0.000	0.000
317	A	454	ALA	0	0.011	0.012	59.628	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	455	SER	0	-0.066	-0.036	62.162	0.000	0.000	0.000	0.000	0.000	0.000
319	A	456	SER	0	-0.008	-0.005	57.077	0.003	0.003	0.000	0.000	0.000	0.000
320	A	457	LYS	1	0.876	0.977	59.472	0.026	0.026	0.000	0.000	0.000	0.000
321	A	458	LYS	1	1.007	0.982	61.565	0.011	0.011	0.000	0.000	0.000	0.000
322	A	459	ASP	-1	-0.889	-0.949	64.336	-0.021	-0.021	0.000	0.000	0.000	0.000
323	A	460	LYS	1	0.985	0.963	63.970	0.026	0.026	0.000	0.000	0.000	0.000
324	A	461	ALA	0	0.059	0.048	65.367	0.000	0.000	0.000	0.000	0.000	0.000
325	A	462	LYS	1	0.967	0.980	67.164	0.012	0.012	0.000	0.000	0.000	0.000
326	A	463	ALA	0	0.014	0.011	69.215	0.000	0.000	0.000	0.000	0.000	0.000
327	A	464	LEU	0	-0.030	0.012	66.275	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	465	CYS	0	-0.053	-0.072	70.133	0.000	0.000	0.000	0.000	0.000	0.000
329	A	466	GLU	-1	-0.896	-0.955	72.307	-0.015	-0.015	0.000	0.000	0.000	0.000
330	A	467	GLN	0	0.015	0.018	73.749	0.000	0.000	0.000	0.000	0.000	0.000
331	A	468	GLY	0	0.018	0.001	71.245	0.000	0.000	0.000	0.000	0.000	0.000
332	A	469	VAL	0	-0.010	0.031	71.640	0.001	0.001	0.000	0.000	0.000	0.000
333	A	470	ASP	-1	-0.867	-0.936	72.929	-0.010	-0.010	0.000	0.000	0.000	0.000
334	A	471	ILE	0	-0.056	-0.030	72.033	0.001	0.001	0.000	0.000	0.000	0.000
335	A	472	LEU	0	0.003	0.011	67.454	0.001	0.001	0.000	0.000	0.000	0.000
336	A	473	LYS	1	0.973	0.979	71.363	0.009	0.009	0.000	0.000	0.000	0.000
337	A	474	ARG	1	0.964	0.992	74.237	0.015	0.015	0.000	0.000	0.000	0.000
338	A	475	LEU	0	0.060	0.033	69.274	0.001	0.001	0.000	0.000	0.000	0.000
339	A	476	TYR	0	-0.074	-0.033	70.156	0.001	0.001	0.000	0.000	0.000	0.000
340	A	477	HIS	0	-0.071	-0.053	71.857	0.002	0.002	0.000	0.000	0.000	0.000
341	A	478	SER	0	0.018	0.029	70.954	0.001	0.001	0.000	0.000	0.000	0.000
342	A	479	LYS	1	0.940	0.946	72.240	0.005	0.005	0.000	0.000	0.000	0.000
343	A	480	ASN	0	0.000	0.007	66.893	0.001	0.001	0.000	0.000	0.000	0.000
344	A	481	ASP	-1	-0.792	-0.893	65.880	-0.003	-0.003	0.000	0.000	0.000	0.000
345	A	482	GLY	0	-0.032	-0.017	63.546	0.000	0.000	0.000	0.000	0.000	0.000
346	A	483	ILE	0	0.022	0.038	64.110	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	484	ARG	1	0.869	0.960	66.710	0.003	0.003	0.000	0.000	0.000	0.000
348	A	485	VAL	0	-0.015	-0.011	62.662	0.000	0.000	0.000	0.000	0.000	0.000
349	A	486	ARG	1	0.831	0.891	58.799	0.016	0.016	0.000	0.000	0.000	0.000
350	A	487	ALA	0	0.040	0.020	63.994	0.000	0.000	0.000	0.000	0.000	0.000
351	A	488	LEU	0	-0.048	-0.033	65.568	0.000	0.000	0.000	0.000	0.000	0.000
352	A	489	VAL	0	0.022	0.012	60.601	0.001	0.001	0.000	0.000	0.000	0.000
353	A	490	GLY	0	0.010	0.008	63.930	0.000	0.000	0.000	0.000	0.000	0.000
354	A	491	LEU	0	-0.054	-0.029	65.456	0.000	0.000	0.000	0.000	0.000	0.000
355	A	492	CYS	0	-0.017	-0.003	64.595	0.001	0.001	0.000	0.000	0.000	0.000
356	A	493	LYS	1	0.882	0.959	58.923	0.017	0.017	0.000	0.000	0.000	0.000
357	A	494	LEU	0	-0.017	-0.016	64.079	0.000	0.000	0.000	0.000	0.000	0.000
358	A	495	GLY	0	-0.017	-0.014	67.105	0.000	0.000	0.000	0.000	0.000	0.000
359	A	496	SER	0	-0.051	-0.021	63.923	0.001	0.001	0.000	0.000	0.000	0.000
360	A	497	TYR	0	-0.091	-0.033	62.625	0.001	0.001	0.000	0.000	0.000	0.000
361	A	498	GLY	0	0.076	0.005	66.560	0.000	0.000	0.000	0.000	0.000	0.000
362	A	499	GLY	0	-0.045	-0.029	66.556	0.000	0.000	0.000	0.000	0.000	0.000
363	A	500	GLN	0	-0.017	-0.012	61.928	0.000	0.000	0.000	0.000	0.000	0.000
364	A	501	ASP	-1	-0.929	-0.957	67.482	-0.004	-0.004	0.000	0.000	0.000	0.000
365	A	502	ALA	0	0.052	0.040	70.180	0.000	0.000	0.000	0.000	0.000	0.000
366	A	503	ALA	0	-0.029	-0.012	70.677	0.001	0.001	0.000	0.000	0.000	0.000
367	A	504	ILE	0	-0.024	-0.008	71.750	0.001	0.001	0.000	0.000	0.000	0.000
368	A	505	ARG	1	0.885	0.939	64.900	-0.007	-0.007	0.000	0.000	0.000	0.000
369	A	506	PRO	0	0.016	0.012	67.271	0.000	0.000	0.000	0.000	0.000	0.000
370	A	507	PHE	0	-0.054	-0.021	66.357	0.001	0.001	0.000	0.000	0.000	0.000
371	A	508	GLY	0	0.103	0.050	71.907	0.001	0.001	0.000	0.000	0.000	0.000
372	A	509	ASP	-1	-0.901	-0.959	74.679	0.003	0.003	0.000	0.000	0.000	0.000
373	A	510	GLY	0	0.019	0.016	74.817	0.000	0.000	0.000	0.000	0.000	0.000
374	A	511	ALA	0	-0.060	-0.030	73.236	0.000	0.000	0.000	0.000	0.000	0.000
375	A	512	ALA	0	0.054	0.017	68.854	0.000	0.000	0.000	0.000	0.000	0.000
376	A	513	LEU	0	0.098	0.039	69.265	0.000	0.000	0.000	0.000	0.000	0.000
377	A	514	LYS	1	0.913	0.975	70.384	-0.003	-0.003	0.000	0.000	0.000	0.000
378	A	515	LEU	0	-0.012	-0.023	68.364	0.000	0.000	0.000	0.000	0.000	0.000
379	A	516	ALA	0	0.078	0.031	66.074	0.000	0.000	0.000	0.000	0.000	0.000
380	A	517	GLU	-1	-0.811	-0.912	66.405	0.011	0.011	0.000	0.000	0.000	0.000
381	A	518	ALA	0	-0.091	-0.046	68.227	0.000	0.000	0.000	0.000	0.000	0.000
382	A	519	CYS	0	-0.029	-0.010	63.086	-0.001	-0.001	0.000	0.000	0.000	0.000
383	A	520	ARG	1	0.947	0.990	63.494	-0.013	-0.013	0.000	0.000	0.000	0.000
384	A	521	ARG	1	0.842	0.915	64.214	-0.006	-0.006	0.000	0.000	0.000	0.000
385	A	522	PHE	0	-0.049	-0.033	63.050	0.000	0.000	0.000	0.000	0.000	0.000
386	A	523	LEU	0	-0.008	0.001	57.666	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	524	ILE	0	0.001	0.003	60.181	0.001	0.001	0.000	0.000	0.000	0.000
388	A	525	LYS	1	0.770	0.885	62.400	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	526	PRO	0	0.046	0.031	61.867	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	527	GLY	0	0.004	0.006	62.590	-0.001	-0.001	0.000	0.000	0.000	0.000
391	A	528	LYS	1	0.855	0.911	62.272	0.001	0.001	0.000	0.000	0.000	0.000
392	A	529	ASP	-1	-0.837	-0.905	57.645	0.007	0.007	0.000	0.000	0.000	0.000
393	A	530	LYS	1	0.916	0.958	57.355	0.009	0.009	0.000	0.000	0.000	0.000
394	A	531	ASP	-1	-0.767	-0.901	55.214	-0.011	-0.011	0.000	0.000	0.000	0.000
395	A	532	ILE	0	-0.019	-0.025	56.678	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	533	ARG	1	0.958	0.986	56.429	-0.008	-0.008	0.000	0.000	0.000	0.000
397	A	534	ARG	1	0.947	0.973	54.035	0.015	0.015	0.000	0.000	0.000	0.000
398	A	535	TRP	0	-0.020	-0.007	55.959	0.000	0.000	0.000	0.000	0.000	0.000
399	A	536	ALA	0	-0.021	-0.007	59.244	0.000	0.000	0.000	0.000	0.000	0.000
400	A	537	ALA	0	0.031	-0.002	56.096	0.001	0.001	0.000	0.000	0.000	0.000
401	A	538	ASP	-1	-0.819	-0.903	55.787	-0.008	-0.008	0.000	0.000	0.000	0.000
402	A	539	GLY	0	-0.029	-0.015	58.234	0.000	0.000	0.000	0.000	0.000	0.000
403	A	540	LEU	0	-0.010	-0.019	59.543	0.000	0.000	0.000	0.000	0.000	0.000
404	A	541	ALA	0	0.019	0.028	56.870	0.002	0.002	0.000	0.000	0.000	0.000
405	A	542	TYR	0	-0.020	-0.020	58.637	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	543	LEU	0	-0.011	-0.014	61.837	0.001	0.001	0.000	0.000	0.000	0.000
407	A	544	THR	0	-0.001	0.011	59.083	0.002	0.002	0.000	0.000	0.000	0.000
408	A	545	LEU	0	-0.027	-0.020	60.097	0.002	0.002	0.000	0.000	0.000	0.000
409	A	546	ASP	-1	-0.914	-0.959	62.877	0.010	0.010	0.000	0.000	0.000	0.000
410	A	547	ALA	0	0.023	0.004	65.341	0.001	0.001	0.000	0.000	0.000	0.000
411	A	548	GLU	-1	-0.887	-0.943	66.057	0.014	0.014	0.000	0.000	0.000	0.000
412	A	549	CYS	0	-0.082	-0.031	65.009	0.000	0.000	0.000	0.000	0.000	0.000
413	A	550	LYS	1	0.833	0.923	60.538	-0.015	-0.015	0.000	0.000	0.000	0.000
414	A	551	GLU	-1	-0.854	-0.942	62.723	0.026	0.026	0.000	0.000	0.000	0.000
415	A	552	LYS	1	0.939	0.980	64.898	-0.017	-0.017	0.000	0.000	0.000	0.000
416	A	553	LEU	0	-0.036	-0.017	59.207	0.001	0.001	0.000	0.000	0.000	0.000
417	A	554	ILE	0	-0.016	-0.007	57.384	0.001	0.001	0.000	0.000	0.000	0.000
418	A	555	GLU	-1	-0.932	-0.967	60.893	0.025	0.025	0.000	0.000	0.000	0.000
419	A	556	ASP	-1	-0.869	-0.888	62.676	0.019	0.019	0.000	0.000	0.000	0.000
420	A	557	LYS	1	0.975	0.974	58.863	-0.034	-0.034	0.000	0.000	0.000	0.000
421	A	558	ALA	0	0.002	0.008	58.676	0.000	0.000	0.000	0.000	0.000	0.000
422	A	559	SER	0	-0.049	-0.081	59.016	-0.002	-0.002	0.000	0.000	0.000	0.000
423	A	560	ILE	0	0.007	0.012	54.900	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	561	HIS	0	0.014	0.010	54.340	0.000	0.000	0.000	0.000	0.000	0.000
425	A	562	ALA	0	-0.033	0.000	53.997	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	563	LEU	0	-0.024	-0.021	54.176	-0.002	-0.002	0.000	0.000	0.000	0.000
427	A	564	MET	0	-0.013	0.007	50.300	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	565	ASP	-1	-0.924	-0.967	49.633	0.025	0.025	0.000	0.000	0.000	0.000
429	A	566	LEU	0	-0.070	-0.041	49.919	-0.002	-0.002	0.000	0.000	0.000	0.000
430	A	567	ALA	0	-0.028	-0.007	47.391	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	568	ARG	1	0.943	0.974	45.220	-0.037	-0.037	0.000	0.000	0.000	0.000
432	A	569	GLY	0	-0.011	0.006	44.860	0.001	0.001	0.000	0.000	0.000	0.000
433	A	570	GLY	0	-0.011	-0.006	43.699	-0.004	-0.004	0.000	0.000	0.000	0.000
434	A	571	ASN	0	-0.020	-0.003	44.509	-0.007	-0.007	0.000	0.000	0.000	0.000
435	A	572	GLN	0	0.081	-0.002	43.114	0.005	0.005	0.000	0.000	0.000	0.000
436	A	573	SER	0	-0.063	-0.018	46.460	0.001	0.001	0.000	0.000	0.000	0.000
437	A	574	CYS	0	-0.054	-0.024	49.398	0.001	0.001	0.000	0.000	0.000	0.000
438	A	575	LEU	0	0.025	0.017	45.247	0.003	0.003	0.000	0.000	0.000	0.000
439	A	576	TYR	0	0.003	0.001	49.113	0.003	0.003	0.000	0.000	0.000	0.000
440	A	577	GLY	0	0.086	0.043	51.716	0.002	0.002	0.000	0.000	0.000	0.000
441	A	578	VAL	0	0.006	0.010	50.978	0.002	0.002	0.000	0.000	0.000	0.000
442	A	579	VAL	0	0.023	0.010	47.586	0.003	0.003	0.000	0.000	0.000	0.000
443	A	580	THR	0	0.000	0.008	50.967	0.002	0.002	0.000	0.000	0.000	0.000
444	A	581	THR	0	-0.001	-0.006	53.815	0.002	0.002	0.000	0.000	0.000	0.000
445	A	582	PHE	0	0.030	-0.007	50.302	0.002	0.002	0.000	0.000	0.000	0.000
446	A	583	VAL	0	0.012	0.001	51.152	0.002	0.002	0.000	0.000	0.000	0.000
447	A	584	ASN	0	-0.076	-0.050	53.452	0.001	0.001	0.000	0.000	0.000	0.000
448	A	585	LEU	0	0.008	0.002	56.184	0.001	0.001	0.000	0.000	0.000	0.000
449	A	586	CYS	0	-0.006	0.015	53.036	0.003	0.003	0.000	0.000	0.000	0.000
450	A	587	ASN	0	0.014	0.014	55.335	0.001	0.001	0.000	0.000	0.000	0.000
451	A	588	ALA	0	0.069	0.036	51.619	0.000	0.000	0.000	0.000	0.000	0.000
452	A	589	TYR	0	-0.022	0.000	52.749	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	590	GLU	-1	-0.840	-0.923	52.316	0.009	0.009	0.000	0.000	0.000	0.000
454	A	591	LYS	1	0.978	0.995	54.904	-0.020	-0.020	0.000	0.000	0.000	0.000
455	A	592	GLN	0	-0.014	-0.023	57.669	-0.002	-0.002	0.000	0.000	0.000	0.000
456	A	593	GLU	-1	-0.952	-0.962	54.250	0.007	0.007	0.000	0.000	0.000	0.000
457	A	594	MET	0	-0.028	-0.015	58.326	-0.002	-0.002	0.000	0.000	0.000	0.000
458	A	595	LEU	0	-0.004	0.001	57.389	0.002	0.002	0.000	0.000	0.000	0.000
459	A	596	PRO	0	-0.011	-0.008	57.609	0.000	0.000	0.000	0.000	0.000	0.000
460	A	597	GLU	-1	-0.911	-0.955	59.526	0.003	0.003	0.000	0.000	0.000	0.000
461	A	598	MET	0	-0.049	-0.030	59.588	0.001	0.001	0.000	0.000	0.000	0.000
462	A	599	ILE	0	0.045	0.021	53.423	0.002	0.002	0.000	0.000	0.000	0.000
463	A	600	GLU	-1	-0.924	-0.974	53.848	0.007	0.007	0.000	0.000	0.000	0.000
464	A	601	LEU	0	0.013	0.010	55.387	0.002	0.002	0.000	0.000	0.000	0.000
465	A	602	ALA	0	-0.048	-0.015	55.088	0.002	0.002	0.000	0.000	0.000	0.000
466	A	603	LYS	1	0.829	0.914	50.528	-0.024	-0.024	0.000	0.000	0.000	0.000
467	A	604	PHE	0	0.080	0.045	55.115	0.003	0.003	0.000	0.000	0.000	0.000
468	A	605	ALA	0	0.013	0.014	56.974	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	606	LYS	1	0.846	0.937	56.900	-0.024	-0.024	0.000	0.000	0.000	0.000
470	A	607	GLN	0	0.072	0.021	57.426	0.004	0.004	0.000	0.000	0.000	0.000
471	A	608	HIS	0	-0.019	-0.013	57.747	0.001	0.001	0.000	0.000	0.000	0.000
472	A	609	ILE	0	-0.031	-0.013	51.800	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	610	PRO	0	-0.048	-0.024	55.894	0.001	0.001	0.000	0.000	0.000	0.000
474	A	611	GLU	-1	-0.876	-0.934	56.154	0.042	0.042	0.000	0.000	0.000	0.000
475	A	612	GLU	-1	-0.941	-0.970	51.782	0.032	0.032	0.000	0.000	0.000	0.000
476	A	613	HIS	0	-0.064	-0.037	55.530	-0.004	-0.004	0.000	0.000	0.000	0.000
477	A	614	GLU	-1	-0.914	-0.953	59.450	0.020	0.020	0.000	0.000	0.000	0.000
478	A	615	LEU	0	0.007	-0.044	62.275	0.000	0.000	0.000	0.000	0.000	0.000
479	A	616	ASP	-1	-0.901	-0.927	64.302	0.026	0.026	0.000	0.000	0.000	0.000
480	A	617	ASP	-1	-0.946	-0.973	62.498	0.023	0.023	0.000	0.000	0.000	0.000
481	A	618	VAL	0	-0.030	-0.005	58.798	0.001	0.001	0.000	0.000	0.000	0.000
482	A	619	ASP	-1	-0.840	-0.928	59.795	0.041	0.041	0.000	0.000	0.000	0.000
483	A	620	PHE	0	-0.075	-0.033	60.794	0.001	0.001	0.000	0.000	0.000	0.000
484	A	621	ILE	0	-0.032	-0.007	56.811	0.000	0.000	0.000	0.000	0.000	0.000
485	A	622	ASN	0	0.057	0.016	56.030	0.000	0.000	0.000	0.000	0.000	0.000
486	A	623	LYS	1	0.912	0.958	56.190	-0.037	-0.037	0.000	0.000	0.000	0.000
487	A	624	ARG	1	0.881	0.936	57.535	-0.024	-0.024	0.000	0.000	0.000	0.000
488	A	625	ILE	0	0.019	0.009	51.657	0.000	0.000	0.000	0.000	0.000	0.000
489	A	626	THR	0	0.022	0.016	52.554	0.003	0.003	0.000	0.000	0.000	0.000
490	A	627	VAL	0	-0.075	-0.035	53.083	0.002	0.002	0.000	0.000	0.000	0.000
491	A	628	LEU	0	-0.011	-0.002	51.677	0.000	0.000	0.000	0.000	0.000	0.000
492	A	629	ALA	0	-0.002	-0.011	48.676	0.001	0.001	0.000	0.000	0.000	0.000
493	A	630	ASN	0	-0.053	-0.047	48.649	0.006	0.006	0.000	0.000	0.000	0.000
494	A	631	GLU	-1	-0.933	-0.939	50.678	0.043	0.043	0.000	0.000	0.000	0.000
495	A	632	GLY	0	0.006	0.000	46.814	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	633	ILE	0	0.016	0.000	46.758	-0.003	-0.003	0.000	0.000	0.000	0.000
497	A	634	THR	0	0.009	0.006	41.348	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	635	THR	0	-0.011	0.001	41.228	-0.004	-0.004	0.000	0.000	0.000	0.000
499	A	636	ALA	0	-0.008	0.002	42.583	-0.004	-0.004	0.000	0.000	0.000	0.000
500	A	637	LEU	0	0.010	0.001	44.289	-0.006	-0.006	0.000	0.000	0.000	0.000
501	A	638	CYS	0	-0.062	-0.037	38.859	-0.003	-0.003	0.000	0.000	0.000	0.000
502	A	639	ALA	0	-0.034	-0.008	39.899	-0.005	-0.005	0.000	0.000	0.000	0.000
503	A	640	LEU	0	0.003	0.001	41.314	-0.006	-0.006	0.000	0.000	0.000	0.000
504	A	641	ALA	0	-0.027	-0.008	39.141	-0.006	-0.006	0.000	0.000	0.000	0.000
505	A	642	LYS	1	0.886	0.953	37.548	0.021	0.021	0.000	0.000	0.000	0.000
506	A	643	THR	0	-0.002	0.021	38.467	-0.010	-0.010	0.000	0.000	0.000	0.000
507	A	644	GLU	-1	-0.764	-0.865	36.271	-0.044	-0.044	0.000	0.000	0.000	0.000
508	A	645	SER	0	-0.013	0.010	39.924	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	646	HIS	0	0.153	0.062	38.783	0.011	0.011	0.000	0.000	0.000	0.000
510	A	647	ASN	0	0.034	0.012	43.274	0.007	0.007	0.000	0.000	0.000	0.000
511	A	648	SER	0	-0.058	-0.026	44.849	0.002	0.002	0.000	0.000	0.000	0.000
512	A	649	GLN	0	0.004	-0.009	39.272	0.001	0.001	0.000	0.000	0.000	0.000
513	A	650	GLU	-1	-0.837	-0.922	43.443	0.003	0.003	0.000	0.000	0.000	0.000
514	A	651	LEU	0	-0.027	-0.002	45.944	0.004	0.004	0.000	0.000	0.000	0.000
515	A	652	ILE	0	0.032	0.002	42.864	0.004	0.004	0.000	0.000	0.000	0.000
516	A	653	ALA	0	0.004	-0.004	43.061	0.005	0.005	0.000	0.000	0.000	0.000
517	A	654	ARG	1	0.733	0.873	44.522	-0.004	-0.004	0.000	0.000	0.000	0.000
518	A	655	VAL	0	0.000	0.002	47.975	0.003	0.003	0.000	0.000	0.000	0.000
519	A	656	LEU	0	0.004	-0.004	41.933	0.004	0.004	0.000	0.000	0.000	0.000
520	A	657	ASN	0	0.027	0.002	45.639	0.010	0.010	0.000	0.000	0.000	0.000
521	A	658	ALA	0	0.011	0.001	46.394	0.003	0.003	0.000	0.000	0.000	0.000
522	A	659	VAL	0	0.001	0.006	46.818	0.002	0.002	0.000	0.000	0.000	0.000
523	A	660	CYS	0	-0.065	-0.023	43.812	0.006	0.006	0.000	0.000	0.000	0.000
524	A	661	GLY	0	0.052	0.017	46.306	0.004	0.004	0.000	0.000	0.000	0.000
525	A	662	LEU	0	-0.031	0.005	49.384	0.001	0.001	0.000	0.000	0.000	0.000
526	A	663	LYS	1	0.985	0.973	47.258	-0.068	-0.068	0.000	0.000	0.000	0.000
527	A	664	GLU	-1	-0.889	-0.962	46.756	0.067	0.067	0.000	0.000	0.000	0.000
528	A	665	LEU	0	-0.027	-0.008	47.391	0.004	0.004	0.000	0.000	0.000	0.000
529	A	666	ARG	1	0.846	0.946	42.831	-0.071	-0.071	0.000	0.000	0.000	0.000
530	A	667	GLY	0	0.031	0.010	41.767	0.003	0.003	0.000	0.000	0.000	0.000
531	A	668	LYS	1	0.975	0.991	41.343	-0.066	-0.066	0.000	0.000	0.000	0.000
532	A	669	VAL	0	0.014	0.016	40.672	0.001	0.001	0.000	0.000	0.000	0.000
533	A	670	VAL	0	-0.006	-0.005	36.317	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	671	GLN	0	-0.018	-0.016	37.268	0.005	0.005	0.000	0.000	0.000	0.000
535	A	672	GLU	-1	-0.889	-0.953	38.582	0.063	0.063	0.000	0.000	0.000	0.000
536	A	673	GLY	0	-0.010	-0.002	35.978	-0.006	-0.006	0.000	0.000	0.000	0.000
537	A	674	GLY	0	0.031	0.011	36.862	-0.006	-0.006	0.000	0.000	0.000	0.000
538	A	675	VAL	0	-0.011	-0.009	33.701	-0.007	-0.007	0.000	0.000	0.000	0.000
539	A	676	LYS	1	0.943	0.970	30.205	-0.060	-0.060	0.000	0.000	0.000	0.000
540	A	677	ALA	0	0.004	0.008	33.647	-0.009	-0.009	0.000	0.000	0.000	0.000
541	A	678	LEU	0	0.047	0.011	36.602	-0.008	-0.008	0.000	0.000	0.000	0.000
542	A	679	LEU	0	0.018	0.012	30.562	-0.004	-0.004	0.000	0.000	0.000	0.000
543	A	680	ARG	1	0.854	0.923	33.293	0.007	0.007	0.000	0.000	0.000	0.000
544	A	681	MET	0	-0.038	-0.023	34.468	-0.008	-0.008	0.000	0.000	0.000	0.000
545	A	682	ALA	0	0.003	0.005	36.299	-0.005	-0.005	0.000	0.000	0.000	0.000
546	A	683	LEU	0	-0.090	-0.041	31.162	-0.002	-0.002	0.000	0.000	0.000	0.000
547	A	684	GLU	-1	-0.932	-0.948	35.033	-0.055	-0.055	0.000	0.000	0.000	0.000
548	A	685	GLY	0	-0.002	-0.033	37.004	0.005	0.005	0.000	0.000	0.000	0.000
549	A	686	THR	0	-0.019	0.022	40.761	-0.005	-0.005	0.000	0.000	0.000	0.000
550	A	687	GLU	-1	-0.886	-0.934	42.920	-0.013	-0.013	0.000	0.000	0.000	0.000
551	A	688	LYS	1	0.997	0.985	44.613	0.007	0.007	0.000	0.000	0.000	0.000
552	A	689	GLY	0	-0.017	-0.008	44.376	0.004	0.004	0.000	0.000	0.000	0.000
553	A	690	LYS	1	0.936	0.972	38.587	0.020	0.020	0.000	0.000	0.000	0.000
554	A	691	ARG	1	0.948	0.989	41.477	-0.007	-0.007	0.000	0.000	0.000	0.000
555	A	692	HIS	0	0.028	0.013	43.630	0.008	0.008	0.000	0.000	0.000	0.000
556	A	693	ALA	0	0.014	0.009	39.941	0.006	0.006	0.000	0.000	0.000	0.000
557	A	694	THR	0	-0.019	-0.031	38.597	0.007	0.007	0.000	0.000	0.000	0.000
558	A	695	GLN	0	-0.005	-0.008	40.327	0.004	0.004	0.000	0.000	0.000	0.000
559	A	696	ALA	0	0.026	0.011	42.168	0.006	0.006	0.000	0.000	0.000	0.000
560	A	697	LEU	0	-0.088	-0.034	36.089	0.008	0.008	0.000	0.000	0.000	0.000
561	A	698	ALA	0	0.023	0.007	39.313	0.009	0.009	0.000	0.000	0.000	0.000
562	A	699	ARG	1	0.803	0.900	40.904	-0.039	-0.039	0.000	0.000	0.000	0.000
563	A	700	ILE	0	-0.039	-0.032	37.960	0.006	0.006	0.000	0.000	0.000	0.000
564	A	701	GLY	0	-0.014	-0.001	37.907	0.008	0.008	0.000	0.000	0.000	0.000
565	A	702	ILE	0	-0.028	0.009	38.787	0.008	0.008	0.000	0.000	0.000	0.000
566	A	703	THR	0	-0.051	-0.025	41.682	0.000	0.000	0.000	0.000	0.000	0.000
567	A	704	ILE	0	-0.033	-0.006	36.962	0.004	0.004	0.000	0.000	0.000	0.000
568	A	705	ASN	0	0.052	0.032	35.802	0.000	0.000	0.000	0.000	0.000	0.000
569	A	706	PRO	0	0.087	0.037	33.220	0.003	0.003	0.000	0.000	0.000	0.000
570	A	707	GLU	-1	-0.907	-0.967	30.587	0.196	0.196	0.000	0.000	0.000	0.000
571	A	708	VAL	0	-0.053	-0.023	30.299	0.018	0.018	0.000	0.000	0.000	0.000
572	A	709	SER	0	-0.053	-0.036	32.172	0.001	0.001	0.000	0.000	0.000	0.000
573	A	710	PHE	0	-0.006	-0.007	31.362	-0.012	-0.012	0.000	0.000	0.000	0.000
574	A	711	SER	0	0.019	0.058	26.811	0.005	0.005	0.000	0.000	0.000	0.000
575	A	712	GLY	0	0.055	-0.017	24.566	-0.011	-0.011	0.000	0.000	0.000	0.000
576	A	713	GLN	0	-0.020	-0.025	22.568	0.022	0.022	0.000	0.000	0.000	0.000
577	A	714	ARG	1	0.918	0.949	24.869	-0.164	-0.164	0.000	0.000	0.000	0.000
578	A	715	SER	0	-0.004	0.027	27.175	-0.014	-0.014	0.000	0.000	0.000	0.000
579	A	716	LEU	0	-0.036	-0.019	23.924	-0.011	-0.011	0.000	0.000	0.000	0.000
580	A	717	ASP	-1	-0.918	-0.976	27.002	0.046	0.046	0.000	0.000	0.000	0.000
581	A	718	VAL	0	0.023	0.004	29.186	-0.015	-0.015	0.000	0.000	0.000	0.000
582	A	719	ILE	0	-0.007	0.008	30.937	-0.007	-0.007	0.000	0.000	0.000	0.000
583	A	720	ARG	1	0.867	0.938	31.622	0.012	0.012	0.000	0.000	0.000	0.000
584	A	721	PRO	0	0.014	0.003	33.695	-0.004	-0.004	0.000	0.000	0.000	0.000
585	A	722	LEU	0	0.060	0.029	35.824	-0.002	-0.002	0.000	0.000	0.000	0.000
586	A	723	LEU	0	-0.011	0.006	35.080	-0.001	-0.001	0.000	0.000	0.000	0.000
587	A	724	ASN	0	-0.018	-0.012	38.720	-0.002	-0.002	0.000	0.000	0.000	0.000
588	A	725	LEU	0	-0.039	-0.016	40.746	-0.003	-0.003	0.000	0.000	0.000	0.000
589	A	726	LEU	0	-0.036	-0.005	40.946	0.002	0.002	0.000	0.000	0.000	0.000
590	A	727	GLN	0	-0.026	0.008	43.537	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	728	GLN	0	0.036	-0.005	45.749	0.003	0.003	0.000	0.000	0.000	0.000
592	A	729	ASP	-1	-0.879	-0.931	48.219	0.006	0.006	0.000	0.000	0.000	0.000
593	A	730	CYS	0	-0.055	-0.004	46.554	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	731	THR	0	0.009	0.005	49.173	0.002	0.002	0.000	0.000	0.000	0.000
595	A	732	ALA	0	0.037	0.006	49.829	0.002	0.002	0.000	0.000	0.000	0.000
596	A	733	LEU	0	0.033	0.025	49.778	0.003	0.003	0.000	0.000	0.000	0.000
597	A	734	GLU	-1	-0.827	-0.923	46.403	0.027	0.027	0.000	0.000	0.000	0.000
598	A	735	ASN	0	0.004	-0.025	45.554	0.002	0.002	0.000	0.000	0.000	0.000
599	A	736	PHE	0	0.038	0.016	45.562	0.005	0.005	0.000	0.000	0.000	0.000
600	A	737	GLU	-1	-0.807	-0.911	44.750	0.057	0.057	0.000	0.000	0.000	0.000
601	A	738	SER	0	-0.005	-0.008	41.209	0.008	0.008	0.000	0.000	0.000	0.000
602	A	739	LEU	0	0.005	0.009	41.100	0.008	0.008	0.000	0.000	0.000	0.000
603	A	740	MET	0	-0.011	0.016	41.584	0.009	0.009	0.000	0.000	0.000	0.000
604	A	741	ALA	0	0.019	0.019	38.585	0.009	0.009	0.000	0.000	0.000	0.000
605	A	742	LEU	0	-0.026	-0.030	36.056	0.011	0.011	0.000	0.000	0.000	0.000
606	A	743	THR	0	0.030	0.012	36.773	0.009	0.009	0.000	0.000	0.000	0.000
607	A	744	ASN	0	-0.016	-0.012	37.160	0.014	0.014	0.000	0.000	0.000	0.000
608	A	745	LEU	0	-0.033	-0.024	32.177	0.016	0.016	0.000	0.000	0.000	0.000
609	A	746	ALA	0	-0.005	-0.007	32.441	0.015	0.015	0.000	0.000	0.000	0.000
610	A	747	SER	0	-0.048	-0.035	33.398	0.012	0.012	0.000	0.000	0.000	0.000
611	A	748	MET	0	-0.072	0.004	29.325	0.018	0.018	0.000	0.000	0.000	0.000
612	A	749	ASN	0	0.027	0.010	25.408	0.004	0.004	0.000	0.000	0.000	0.000
613	A	750	GLU	-1	-0.742	-0.896	25.708	0.171	0.171	0.000	0.000	0.000	0.000
614	A	751	SER	0	-0.061	-0.032	23.338	-0.029	-0.029	0.000	0.000	0.000	0.000
615	A	752	VAL	0	0.031	-0.003	25.458	-0.024	-0.024	0.000	0.000	0.000	0.000
616	A	753	ARG	1	0.943	0.980	28.626	-0.216	-0.216	0.000	0.000	0.000	0.000
617	A	754	GLN	0	-0.036	-0.002	25.189	-0.043	-0.043	0.000	0.000	0.000	0.000
618	A	755	ARG	1	0.836	0.922	24.777	-0.088	-0.088	0.000	0.000	0.000	0.000
619	A	756	ILE	0	0.051	0.018	28.717	-0.018	-0.018	0.000	0.000	0.000	0.000
620	A	757	ILE	0	-0.002	0.002	30.676	-0.014	-0.014	0.000	0.000	0.000	0.000
621	A	758	LYS	1	0.913	0.949	24.657	-0.076	-0.076	0.000	0.000	0.000	0.000
622	A	759	GLU	-1	-0.922	-0.951	30.485	-0.006	-0.006	0.000	0.000	0.000	0.000
623	A	760	GLN	0	-0.003	-0.009	33.000	0.001	0.001	0.000	0.000	0.000	0.000
624	A	761	GLY	0	0.036	0.012	35.176	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	762	VAL	0	0.018	0.009	36.052	0.001	0.001	0.000	0.000	0.000	0.000
626	A	763	SER	0	0.005	-0.003	38.371	-0.002	-0.002	0.000	0.000	0.000	0.000
627	A	764	LYS	1	0.917	0.963	37.715	-0.019	-0.019	0.000	0.000	0.000	0.000
628	A	765	ILE	0	-0.008	-0.012	38.283	0.000	0.000	0.000	0.000	0.000	0.000
629	A	766	GLU	-1	-0.849	-0.929	41.969	0.048	0.048	0.000	0.000	0.000	0.000
630	A	767	TYR	0	-0.005	0.018	44.270	0.000	0.000	0.000	0.000	0.000	0.000
631	A	768	TYR	0	-0.013	-0.035	45.743	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	769	LEU	0	-0.048	-0.022	45.220	0.001	0.001	0.000	0.000	0.000	0.000
633	A	770	MET	0	-0.033	-0.011	49.181	0.001	0.001	0.000	0.000	0.000	0.000
634	A	771	GLU	-1	-0.930	-0.949	51.239	0.025	0.025	0.000	0.000	0.000	0.000
635	A	772	ASP	-1	-0.899	-0.948	53.504	0.043	0.043	0.000	0.000	0.000	0.000
636	A	773	HIS	0	-0.046	-0.009	52.769	0.002	0.002	0.000	0.000	0.000	0.000
637	A	774	LEU	0	0.058	0.030	53.220	0.003	0.003	0.000	0.000	0.000	0.000
638	A	775	TYR	0	-0.059	-0.030	51.303	0.004	0.004	0.000	0.000	0.000	0.000
639	A	776	LEU	0	-0.051	-0.043	48.720	0.004	0.004	0.000	0.000	0.000	0.000
640	A	777	THR	0	0.073	0.037	48.261	0.003	0.003	0.000	0.000	0.000	0.000
641	A	778	ARG	1	0.887	0.959	48.514	-0.063	-0.063	0.000	0.000	0.000	0.000
642	A	779	ALA	0	-0.023	-0.011	45.367	0.005	0.005	0.000	0.000	0.000	0.000
643	A	780	ALA	0	0.003	0.001	44.124	0.006	0.006	0.000	0.000	0.000	0.000
644	A	781	ALA	0	0.033	0.020	43.705	0.005	0.005	0.000	0.000	0.000	0.000
645	A	782	GLN	0	-0.004	-0.034	43.565	0.006	0.006	0.000	0.000	0.000	0.000
646	A	783	CYS	0	-0.044	-0.006	39.391	0.010	0.010	0.000	0.000	0.000	0.000
647	A	784	LEU	0	0.002	0.001	39.239	0.009	0.009	0.000	0.000	0.000	0.000
648	A	785	CYS	0	-0.056	-0.032	39.652	0.005	0.005	0.000	0.000	0.000	0.000
649	A	786	ASN	0	-0.018	-0.007	36.168	0.012	0.012	0.000	0.000	0.000	0.000
650	A	787	LEU	0	-0.006	-0.013	34.474	0.012	0.012	0.000	0.000	0.000	0.000
651	A	788	VAL	0	-0.032	0.000	34.868	0.005	0.005	0.000	0.000	0.000	0.000
652	A	789	MET	0	-0.018	-0.015	32.742	0.009	0.009	0.000	0.000	0.000	0.000
653	A	790	SER	0	-0.075	-0.016	30.046	0.009	0.009	0.000	0.000	0.000	0.000
654	A	791	GLU	-1	-0.896	-0.972	28.005	0.165	0.165	0.000	0.000	0.000	0.000
655	A	792	ASP	-1	-0.885	-0.945	28.473	0.101	0.101	0.000	0.000	0.000	0.000
656	A	793	VAL	0	-0.015	-0.015	31.832	-0.017	-0.017	0.000	0.000	0.000	0.000
657	A	794	ILE	0	0.027	0.030	34.967	-0.012	-0.012	0.000	0.000	0.000	0.000
658	A	795	LYS	1	0.963	0.981	30.542	-0.113	-0.113	0.000	0.000	0.000	0.000
659	A	796	MET	0	-0.081	-0.037	34.203	-0.012	-0.012	0.000	0.000	0.000	0.000
660	A	797	PHE	0	-0.004	-0.018	38.141	-0.007	-0.007	0.000	0.000	0.000	0.000
661	A	798	GLU	-1	-0.895	-0.931	37.486	0.083	0.083	0.000	0.000	0.000	0.000
662	A	799	GLY	0	-0.047	-0.009	40.469	-0.005	-0.005	0.000	0.000	0.000	0.000
663	A	800	ASN	0	-0.033	-0.032	41.582	0.004	0.004	0.000	0.000	0.000	0.000
664	A	801	ASN	0	-0.022	-0.016	42.134	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	802	ASP	-1	-0.881	-0.936	46.334	0.033	0.033	0.000	0.000	0.000	0.000
666	A	803	ARG	1	0.854	0.936	40.284	-0.044	-0.044	0.000	0.000	0.000	0.000
667	A	804	VAL	0	0.012	0.001	44.536	0.003	0.003	0.000	0.000	0.000	0.000
668	A	805	LYS	1	0.953	0.985	46.744	-0.032	-0.032	0.000	0.000	0.000	0.000
669	A	806	PHE	0	0.056	-0.001	49.171	0.001	0.001	0.000	0.000	0.000	0.000
670	A	807	LEU	0	0.012	0.025	44.180	0.001	0.001	0.000	0.000	0.000	0.000
671	A	808	ALA	0	0.018	-0.005	48.272	0.003	0.003	0.000	0.000	0.000	0.000
672	A	809	LEU	0	-0.015	-0.010	50.668	0.000	0.000	0.000	0.000	0.000	0.000
673	A	810	LEU	0	0.032	0.012	50.169	0.000	0.000	0.000	0.000	0.000	0.000
674	A	811	CYS	0	-0.115	-0.049	50.112	0.004	0.004	0.000	0.000	0.000	0.000
675	A	812	GLU	-1	-0.932	-0.979	52.465	0.053	0.053	0.000	0.000	0.000	0.000
676	A	813	ASP	-1	-0.896	-0.937	53.926	0.053	0.053	0.000	0.000	0.000	0.000
677	A	814	GLU	-1	-0.915	-0.971	55.819	0.047	0.047	0.000	0.000	0.000	0.000
678	A	815	ASP	-1	-0.808	-0.874	53.139	0.067	0.067	0.000	0.000	0.000	0.000
679	A	816	GLU	-1	-0.823	-0.888	53.062	0.080	0.080	0.000	0.000	0.000	0.000
680	A	817	GLU	-1	-0.966	-0.987	49.562	0.083	0.083	0.000	0.000	0.000	0.000
681	A	818	THR	0	0.019	-0.001	49.239	0.004	0.004	0.000	0.000	0.000	0.000
682	A	819	ALA	0	0.055	0.040	49.546	0.003	0.003	0.000	0.000	0.000	0.000
683	A	820	THR	0	-0.113	-0.079	47.502	0.005	0.005	0.000	0.000	0.000	0.000
684	A	821	ALA	0	-0.049	-0.020	45.024	0.006	0.006	0.000	0.000	0.000	0.000
685	A	822	CYS	0	0.011	0.027	45.028	0.004	0.004	0.000	0.000	0.000	0.000
686	A	823	ALA	0	0.085	0.035	46.274	0.003	0.003	0.000	0.000	0.000	0.000
687	A	824	GLY	0	-0.040	-0.031	44.603	0.005	0.005	0.000	0.000	0.000	0.000
688	A	825	ALA	0	0.033	0.005	41.717	0.006	0.006	0.000	0.000	0.000	0.000
689	A	826	LEU	0	0.017	0.004	42.032	0.004	0.004	0.000	0.000	0.000	0.000
690	A	827	ALA	0	-0.002	0.004	43.947	0.001	0.001	0.000	0.000	0.000	0.000
691	A	828	ILE	0	-0.008	-0.010	37.610	0.005	0.005	0.000	0.000	0.000	0.000
692	A	829	ILE	0	0.018	0.018	39.368	0.005	0.005	0.000	0.000	0.000	0.000
693	A	830	THR	0	-0.036	-0.032	40.285	0.004	0.004	0.000	0.000	0.000	0.000
694	A	831	SER	0	-0.078	-0.037	38.976	0.004	0.004	0.000	0.000	0.000	0.000
695	A	832	VAL	0	-0.017	-0.017	35.523	0.007	0.007	0.000	0.000	0.000	0.000
696	A	833	SER	0	-0.051	-0.031	37.533	-0.004	-0.004	0.000	0.000	0.000	0.000
697	A	834	VAL	0	0.081	0.019	39.866	-0.004	-0.004	0.000	0.000	0.000	0.000
698	A	835	LYS	1	0.968	0.990	38.930	-0.069	-0.069	0.000	0.000	0.000	0.000
699	A	836	CYS	0	-0.022	-0.017	41.197	-0.007	-0.007	0.000	0.000	0.000	0.000
700	A	837	CYS	0	-0.030	0.000	43.981	-0.002	-0.002	0.000	0.000	0.000	0.000
701	A	838	GLU	-1	-0.923	-0.960	46.246	0.059	0.059	0.000	0.000	0.000	0.000
702	A	839	LYS	1	0.863	0.931	44.308	-0.052	-0.052	0.000	0.000	0.000	0.000
703	A	840	ILE	0	0.008	0.011	47.536	-0.003	-0.003	0.000	0.000	0.000	0.000
704	A	841	LEU	0	0.024	0.013	50.418	-0.003	-0.003	0.000	0.000	0.000	0.000
705	A	842	ALA	0	-0.080	-0.025	51.383	-0.003	-0.003	0.000	0.000	0.000	0.000
706	A	843	ILE	0	-0.048	-0.007	51.067	-0.004	-0.004	0.000	0.000	0.000	0.000
707	A	844	ALA	0	-0.011	-0.015	54.550	0.000	0.000	0.000	0.000	0.000	0.000
708	A	845	SER	0	-0.041	-0.020	58.184	0.000	0.000	0.000	0.000	0.000	0.000
709	A	846	TRP	0	0.075	0.035	54.723	0.002	0.002	0.000	0.000	0.000	0.000
710	A	847	LEU	0	-0.023	-0.012	56.525	0.002	0.002	0.000	0.000	0.000	0.000
711	A	848	ASP	-1	-0.887	-0.936	58.750	0.047	0.047	0.000	0.000	0.000	0.000
712	A	849	ILE	0	0.031	0.025	53.802	0.002	0.002	0.000	0.000	0.000	0.000
713	A	850	LEU	0	-0.061	-0.049	52.484	0.003	0.003	0.000	0.000	0.000	0.000
714	A	851	HIS	0	-0.022	-0.029	56.155	0.003	0.003	0.000	0.000	0.000	0.000
715	A	852	THR	0	0.020	0.020	57.034	0.002	0.002	0.000	0.000	0.000	0.000
716	A	853	LEU	0	-0.055	-0.015	51.764	0.003	0.003	0.000	0.000	0.000	0.000
717	A	854	ILE	0	-0.006	-0.006	55.672	0.003	0.003	0.000	0.000	0.000	0.000
718	A	855	ALA	0	-0.026	-0.012	57.100	0.002	0.002	0.000	0.000	0.000	0.000
719	A	856	ASN	0	0.025	0.018	56.268	-0.001	-0.001	0.000	0.000	0.000	0.000
720	A	857	PRO	0	0.022	-0.004	58.333	0.003	0.003	0.000	0.000	0.000	0.000
721	A	858	SER	0	0.011	-0.014	54.325	0.003	0.003	0.000	0.000	0.000	0.000
722	A	859	PRO	0	-0.020	-0.026	54.632	0.002	0.002	0.000	0.000	0.000	0.000
723	A	860	ALA	0	-0.016	-0.005	50.101	0.004	0.004	0.000	0.000	0.000	0.000
724	A	861	VAL	0	0.053	0.037	50.469	0.005	0.005	0.000	0.000	0.000	0.000
725	A	862	GLN	0	0.054	0.028	51.571	0.005	0.005	0.000	0.000	0.000	0.000
726	A	863	HIS	0	-0.045	-0.019	46.623	0.000	0.000	0.000	0.000	0.000	0.000
727	A	864	ARG	1	0.887	0.943	45.189	-0.107	-0.107	0.000	0.000	0.000	0.000
728	A	865	GLY	0	0.040	0.013	48.263	0.001	0.001	0.000	0.000	0.000	0.000
729	A	866	ILE	0	0.008	-0.006	50.923	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	867	VAL	0	-0.022	-0.017	44.726	0.002	0.002	0.000	0.000	0.000	0.000
731	A	868	ILE	0	-0.006	0.011	46.611	0.002	0.002	0.000	0.000	0.000	0.000
732	A	869	ILE	0	0.026	0.011	47.771	0.000	0.000	0.000	0.000	0.000	0.000
733	A	870	LEU	0	0.023	0.002	46.439	-0.001	-0.001	0.000	0.000	0.000	0.000
734	A	871	ASN	0	-0.071	-0.039	43.362	0.005	0.005	0.000	0.000	0.000	0.000
735	A	872	MET	0	-0.010	-0.011	45.362	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	873	ILE	0	-0.013	0.004	47.870	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	874	ASN	0	-0.052	-0.054	44.213	-0.003	-0.003	0.000	0.000	0.000	0.000
738	A	875	ALA	0	-0.022	0.013	43.914	0.003	0.003	0.000	0.000	0.000	0.000
739	A	876	GLY	0	0.049	0.012	44.591	0.000	0.000	0.000	0.000	0.000	0.000
740	A	877	GLU	-1	-0.940	-0.992	47.044	0.071	0.071	0.000	0.000	0.000	0.000
741	A	878	GLU	-1	-0.966	-0.993	50.149	0.051	0.051	0.000	0.000	0.000	0.000
742	A	879	ILE	0	-0.035	0.001	47.299	-0.004	-0.004	0.000	0.000	0.000	0.000
743	A	880	ALA	0	0.011	-0.004	50.662	-0.002	-0.002	0.000	0.000	0.000	0.000
744	A	881	LYS	1	0.940	0.968	52.324	-0.065	-0.065	0.000	0.000	0.000	0.000
745	A	882	LYS	1	0.973	0.995	54.462	-0.052	-0.052	0.000	0.000	0.000	0.000
746	A	883	LEU	0	0.031	0.016	52.413	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	884	PHE	0	-0.047	-0.025	53.212	0.000	0.000	0.000	0.000	0.000	0.000
748	A	885	GLU	-1	-0.996	-0.976	58.258	0.047	0.047	0.000	0.000	0.000	0.000
749	A	886	THR	0	-0.065	-0.033	59.409	-0.002	-0.002	0.000	0.000	0.000	0.000
750	A	887	ASP	-1	-0.817	-0.910	61.563	0.055	0.055	0.000	0.000	0.000	0.000
751	A	888	ILE	0	0.047	0.024	56.238	0.002	0.002	0.000	0.000	0.000	0.000
752	A	889	MET	0	-0.026	-0.010	55.015	0.003	0.003	0.000	0.000	0.000	0.000
753	A	890	GLU	-1	-0.952	-0.963	59.222	0.056	0.056	0.000	0.000	0.000	0.000
754	A	891	LEU	0	0.030	0.032	60.673	0.002	0.002	0.000	0.000	0.000	0.000
755	A	892	LEU	0	-0.016	-0.017	55.001	0.002	0.002	0.000	0.000	0.000	0.000
756	A	893	SER	0	-0.095	-0.065	58.486	0.003	0.003	0.000	0.000	0.000	0.000
757	A	894	GLY	0	0.017	0.014	60.528	0.000	0.000	0.000	0.000	0.000	0.000
758	A	895	LEU	0	-0.102	-0.044	57.033	0.000	0.000	0.000	0.000	0.000	0.000
759	A	896	GLY	0	0.041	0.020	57.678	0.004	0.004	0.000	0.000	0.000	0.000
760	A	897	GLN	0	-0.033	-0.053	52.472	-0.003	-0.003	0.000	0.000	0.000	0.000
761	A	898	LEU	0	-0.033	-0.023	56.417	-0.003	-0.003	0.000	0.000	0.000	0.000
762	A	899	PRO	0	-0.012	-0.015	54.475	0.000	0.000	0.000	0.000	0.000	0.000
763	A	900	ASP	-1	-0.893	-0.942	55.004	0.104	0.104	0.000	0.000	0.000	0.000
764	A	901	ASP	-1	-0.881	-0.934	57.349	0.080	0.080	0.000	0.000	0.000	0.000
765	A	902	THR	0	0.016	-0.005	56.180	0.004	0.004	0.000	0.000	0.000	0.000
766	A	903	ARG	1	0.831	0.921	55.223	-0.074	-0.074	0.000	0.000	0.000	0.000
767	A	904	ALA	0	0.000	0.025	53.286	0.001	0.001	0.000	0.000	0.000	0.000
768	A	905	LYS	1	0.948	0.956	45.982	-0.131	-0.131	0.000	0.000	0.000	0.000
769	A	906	ALA	0	0.058	0.031	50.985	0.002	0.002	0.000	0.000	0.000	0.000
770	A	907	ARG	1	0.887	0.956	52.860	-0.083	-0.083	0.000	0.000	0.000	0.000
771	A	908	GLU	-1	-0.875	-0.901	49.127	0.117	0.117	0.000	0.000	0.000	0.000
772	A	909	VAL	0	-0.015	-0.017	47.914	0.001	0.001	0.000	0.000	0.000	0.000
773	A	910	ALA	0	0.034	0.013	50.319	-0.001	-0.001	0.000	0.000	0.000	0.000
774	A	911	THR	0	0.018	0.014	52.593	-0.003	-0.003	0.000	0.000	0.000	0.000
775	A	912	GLN	0	-0.077	-0.057	47.174	0.000	0.000	0.000	0.000	0.000	0.000
776	A	913	CYS	0	-0.024	0.010	50.456	0.001	0.001	0.000	0.000	0.000	0.000
777	A	914	LEU	0	0.031	0.016	52.110	-0.002	-0.002	0.000	0.000	0.000	0.000
778	A	915	ALA	0	-0.012	-0.002	51.272	-0.001	-0.001	0.000	0.000	0.000	0.000
779	A	916	ALA	0	-0.036	-0.022	49.223	0.001	0.001	0.000	0.000	0.000	0.000
780	A	917	ALA	0	0.025	0.003	50.755	-0.001	-0.001	0.000	0.000	0.000	0.000
781	A	918	GLU	-1	-0.875	-0.914	53.815	0.075	0.075	0.000	0.000	0.000	0.000
782	A	919	ARG	1	0.872	0.930	45.251	-0.120	-0.120	0.000	0.000	0.000	0.000
783	A	920	TYR	0	-0.002	0.010	47.858	-0.002	-0.002	0.000	0.000	0.000	0.000
784	A	921	ARG	1	0.916	0.967	52.836	-0.074	-0.074	0.000	0.000	0.000	0.000
785	A	922	ILE	0	-0.098	-0.037	53.377	-0.003	-0.003	0.000	0.000	0.000	0.000
786	A	923	ILE	0	-0.046	-0.010	50.186	-0.001	-0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:138:ASN)