FMO DATABASE

FMODB ID: GY6Y1

Calculation Name: 4QX0-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4QX0

Chain ID: A

ChEMBL ID:

UniProt ID: P0A379

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	584
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-13114961.987431
FMO2-HF: Nuclear repulsion	12884847.282872
FMO2-HF: Total energy	-230114.704559
FMO2-MP2: Total energy	-230796.686039

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:61:THR)

Summations of interaction energy for fragment #1(A:61:THR)

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.
-20.442	-20.912	13.392	-7.091	-5.83	0.014

Interaction energy analysis for fragmet #1(A:61:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.038 / q_NPA : -0.025

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	63	LYS	1	1.047	1.018	1.813	-20.506	-21.252	13.395	-7.070	-5.580	0.014
4	A	64	ASP	-1	-0.909	-0.934	5.221	1.120	1.335	-0.001	-0.011	-0.202	0.000
5	A	65	VAL	0	0.067	0.025	7.171	-0.354	-0.354	0.000	0.000	0.000	0.000
6	A	66	ILE	0	-0.043	-0.008	6.491	-0.071	-0.071	0.000	0.000	0.000	0.000
7	A	67	GLN	0	-0.013	-0.017	9.099	0.111	0.111	0.000	0.000	0.000	0.000
8	A	68	LYS	1	0.888	0.972	10.941	-0.759	-0.759	0.000	0.000	0.000	0.000
9	A	69	GLY	0	0.008	0.000	12.526	-0.031	-0.031	0.000	0.000	0.000	0.000
10	A	70	ILE	0	-0.034	-0.028	11.279	-0.004	-0.004	0.000	0.000	0.000	0.000
11	A	71	SER	0	0.025	-0.007	14.568	0.022	0.022	0.000	0.000	0.000	0.000
12	A	72	VAL	0	0.005	0.019	16.799	-0.001	-0.001	0.000	0.000	0.000	0.000
13	A	73	VAL	0	0.001	0.001	18.084	0.001	0.001	0.000	0.000	0.000	0.000
14	A	74	GLY	0	0.002	-0.003	18.841	0.000	0.000	0.000	0.000	0.000	0.000
15	A	75	ASP	-1	-0.874	-0.943	20.517	0.149	0.149	0.000	0.000	0.000	0.000
16	A	76	LEU	0	-0.050	-0.037	22.046	-0.005	-0.005	0.000	0.000	0.000	0.000
17	A	77	LEU	0	-0.066	-0.028	22.212	-0.006	-0.006	0.000	0.000	0.000	0.000
18	A	78	GLY	0	-0.031	0.002	25.354	-0.001	-0.001	0.000	0.000	0.000	0.000
19	A	79	VAL	0	-0.103	-0.053	27.016	0.007	0.007	0.000	0.000	0.000	0.000
20	A	80	VAL	0	0.007	0.011	27.515	-0.007	-0.007	0.000	0.000	0.000	0.000
21	A	81	GLY	0	0.014	0.004	29.935	0.004	0.004	0.000	0.000	0.000	0.000
22	A	82	PHE	0	-0.048	-0.028	33.588	0.004	0.004	0.000	0.000	0.000	0.000
23	A	83	PRO	0	0.003	0.018	32.497	0.004	0.004	0.000	0.000	0.000	0.000
24	A	84	PHE	0	0.045	0.013	34.623	0.003	0.003	0.000	0.000	0.000	0.000
25	A	85	GLY	0	0.058	0.009	35.039	0.005	0.005	0.000	0.000	0.000	0.000
26	A	86	GLY	0	-0.020	-0.017	34.972	0.005	0.005	0.000	0.000	0.000	0.000
27	A	87	ALA	0	0.044	0.025	31.584	0.011	0.011	0.000	0.000	0.000	0.000
28	A	88	LEU	0	-0.005	0.007	30.354	0.007	0.007	0.000	0.000	0.000	0.000
29	A	89	VAL	0	0.009	-0.003	30.199	0.006	0.006	0.000	0.000	0.000	0.000
30	A	90	SER	0	-0.008	-0.007	28.774	0.016	0.016	0.000	0.000	0.000	0.000
31	A	91	PHE	0	0.033	0.022	23.460	0.021	0.021	0.000	0.000	0.000	0.000
32	A	92	TYR	0	-0.026	-0.047	25.277	0.013	0.013	0.000	0.000	0.000	0.000
33	A	93	THR	0	-0.062	-0.022	25.771	0.018	0.018	0.000	0.000	0.000	0.000
34	A	94	ASN	0	0.066	0.038	21.871	0.037	0.037	0.000	0.000	0.000	0.000
35	A	95	PHE	0	-0.021	-0.004	21.196	0.034	0.034	0.000	0.000	0.000	0.000
36	A	96	LEU	0	0.015	-0.015	21.078	0.012	0.012	0.000	0.000	0.000	0.000
37	A	97	ASN	0	-0.003	0.008	20.388	0.032	0.032	0.000	0.000	0.000	0.000
38	A	98	THR	0	-0.079	-0.042	15.934	0.079	0.079	0.000	0.000	0.000	0.000
39	A	99	ILE	0	-0.048	-0.037	16.181	0.049	0.049	0.000	0.000	0.000	0.000
40	A	100	TRP	0	-0.078	-0.037	18.319	-0.009	-0.009	0.000	0.000	0.000	0.000
41	A	101	PRO	0	0.052	0.057	17.586	-0.011	-0.011	0.000	0.000	0.000	0.000
42	A	102	SER	0	0.009	-0.004	17.251	0.000	0.000	0.000	0.000	0.000	0.000
43	A	103	GLU	-1	-0.780	-0.906	17.624	0.135	0.135	0.000	0.000	0.000	0.000
44	A	104	ASP	-1	-0.930	-0.956	13.101	0.659	0.659	0.000	0.000	0.000	0.000
45	A	105	PRO	0	0.013	0.004	12.501	0.055	0.055	0.000	0.000	0.000	0.000
46	A	106	TRP	0	0.051	0.020	12.667	-0.111	-0.111	0.000	0.000	0.000	0.000
47	A	107	LYS	1	0.892	0.951	11.201	-0.724	-0.724	0.000	0.000	0.000	0.000
48	A	108	ALA	0	0.013	0.002	8.515	-0.120	-0.120	0.000	0.000	0.000	0.000
49	A	109	PHE	0	-0.010	-0.008	8.972	-0.223	-0.223	0.000	0.000	0.000	0.000
50	A	110	MET	0	-0.043	-0.014	11.339	-0.201	-0.201	0.000	0.000	0.000	0.000
51	A	111	GLU	-1	-0.932	-0.971	7.378	0.077	0.077	0.000	0.000	0.000	0.000
52	A	112	GLN	0	-0.037	-0.012	6.561	-0.164	-0.164	0.000	0.000	0.000	0.000
53	A	113	VAL	0	-0.011	-0.011	7.453	-0.550	-0.550	0.000	0.000	0.000	0.000
54	A	114	GLU	-1	-0.871	-0.930	9.890	-0.702	-0.702	0.000	0.000	0.000	0.000
55	A	115	ALA	0	-0.029	-0.010	5.158	-0.098	-0.098	0.000	0.000	0.000	0.000
56	A	116	LEU	0	-0.070	-0.028	7.065	-0.053	-0.053	0.000	0.000	0.000	0.000
57	A	117	MET	0	-0.086	-0.043	8.636	0.161	0.161	0.000	0.000	0.000	0.000
58	A	118	ASP	-1	-0.956	-0.954	10.432	-1.244	-1.244	0.000	0.000	0.000	0.000
59	A	119	GLN	0	-0.099	-0.046	11.544	0.220	0.220	0.000	0.000	0.000	0.000
60	A	120	LYS	1	0.969	0.975	12.283	0.552	0.552	0.000	0.000	0.000	0.000
61	A	121	ILE	0	-0.005	-0.008	14.966	0.048	0.048	0.000	0.000	0.000	0.000
62	A	122	ALA	0	-0.039	-0.002	17.181	0.026	0.026	0.000	0.000	0.000	0.000
63	A	123	ASP	-1	-0.844	-0.943	18.521	-0.146	-0.146	0.000	0.000	0.000	0.000
64	A	124	TYR	0	-0.033	-0.015	20.069	0.021	0.021	0.000	0.000	0.000	0.000
65	A	125	ALA	0	-0.021	-0.006	21.049	0.022	0.022	0.000	0.000	0.000	0.000
66	A	126	LYS	1	0.957	0.983	12.538	0.273	0.273	0.000	0.000	0.000	0.000
67	A	127	ASN	0	0.022	-0.007	18.911	0.037	0.037	0.000	0.000	0.000	0.000
68	A	128	LYS	1	0.900	0.965	21.224	0.139	0.139	0.000	0.000	0.000	0.000
69	A	129	ALA	0	-0.004	0.002	19.690	0.015	0.015	0.000	0.000	0.000	0.000
70	A	130	LEU	0	0.040	0.001	16.426	0.012	0.012	0.000	0.000	0.000	0.000
71	A	131	ALA	0	-0.023	0.005	20.447	0.026	0.026	0.000	0.000	0.000	0.000
72	A	132	GLU	-1	-0.919	-0.960	24.195	-0.028	-0.028	0.000	0.000	0.000	0.000
73	A	133	LEU	0	-0.008	-0.012	18.893	0.001	0.001	0.000	0.000	0.000	0.000
74	A	134	GLN	0	-0.002	0.006	22.569	0.021	0.021	0.000	0.000	0.000	0.000
75	A	135	GLY	0	-0.030	-0.012	24.186	0.010	0.010	0.000	0.000	0.000	0.000
76	A	136	LEU	0	-0.032	-0.031	24.467	0.001	0.001	0.000	0.000	0.000	0.000
77	A	137	GLN	0	-0.013	-0.003	22.478	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	138	ASN	0	0.025	0.015	25.317	0.015	0.015	0.000	0.000	0.000	0.000
79	A	139	ASN	0	-0.039	-0.014	28.713	-0.013	-0.013	0.000	0.000	0.000	0.000
80	A	140	VAL	0	0.013	0.007	25.991	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	141	GLU	-1	-0.889	-0.948	25.267	0.188	0.188	0.000	0.000	0.000	0.000
82	A	142	ASP	-1	-0.931	-0.966	29.128	0.091	0.091	0.000	0.000	0.000	0.000
83	A	143	TYR	0	-0.065	-0.052	31.432	-0.004	-0.004	0.000	0.000	0.000	0.000
84	A	144	VAL	0	0.047	0.022	28.376	-0.004	-0.004	0.000	0.000	0.000	0.000
85	A	145	SER	0	-0.044	-0.009	31.752	0.000	0.000	0.000	0.000	0.000	0.000
86	A	146	ALA	0	-0.015	-0.014	33.697	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	147	LEU	0	0.005	0.006	33.034	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	148	SER	0	-0.027	-0.018	33.398	-0.004	-0.004	0.000	0.000	0.000	0.000
89	A	149	SER	0	-0.078	-0.047	35.417	0.000	0.000	0.000	0.000	0.000	0.000
90	A	150	TRP	0	-0.060	-0.041	38.829	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	151	GLN	0	0.014	0.011	36.907	-0.010	-0.010	0.000	0.000	0.000	0.000
92	A	152	LYS	1	0.930	0.982	37.929	-0.108	-0.108	0.000	0.000	0.000	0.000
93	A	153	ASN	0	-0.043	-0.025	40.442	0.003	0.003	0.000	0.000	0.000	0.000
94	A	154	PRO	0	0.051	0.028	43.733	-0.004	-0.004	0.000	0.000	0.000	0.000
95	A	155	VAL	0	0.002	-0.006	46.868	0.000	0.000	0.000	0.000	0.000	0.000
96	A	156	SER	0	-0.017	-0.012	48.614	-0.002	-0.002	0.000	0.000	0.000	0.000
97	A	157	SER	0	-0.030	-0.028	47.233	0.000	0.000	0.000	0.000	0.000	0.000
98	A	158	ARG	1	0.937	1.002	43.670	-0.039	-0.039	0.000	0.000	0.000	0.000
99	A	159	ASN	0	0.035	0.033	48.433	-0.004	-0.004	0.000	0.000	0.000	0.000
100	A	160	PRO	0	0.079	0.009	48.988	0.001	0.001	0.000	0.000	0.000	0.000
101	A	161	HIS	0	0.016	0.005	47.281	-0.003	-0.003	0.000	0.000	0.000	0.000
102	A	162	SER	0	-0.075	-0.029	44.862	0.002	0.002	0.000	0.000	0.000	0.000
103	A	163	GLN	0	-0.021	-0.025	44.123	0.001	0.001	0.000	0.000	0.000	0.000
104	A	164	GLY	0	0.034	0.013	44.134	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	165	ARG	1	0.997	1.014	38.670	-0.069	-0.069	0.000	0.000	0.000	0.000
106	A	166	ILE	0	-0.004	-0.006	38.504	0.002	0.002	0.000	0.000	0.000	0.000
107	A	167	ARG	1	0.880	0.932	39.264	-0.015	-0.015	0.000	0.000	0.000	0.000
108	A	168	GLU	-1	-0.957	-0.977	40.218	0.025	0.025	0.000	0.000	0.000	0.000
109	A	169	LEU	0	-0.010	-0.005	36.025	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	170	PHE	0	-0.015	-0.002	34.919	-0.002	-0.002	0.000	0.000	0.000	0.000
111	A	171	SER	0	-0.010	-0.022	35.534	-0.008	-0.008	0.000	0.000	0.000	0.000
112	A	172	GLN	0	-0.048	-0.013	35.128	-0.012	-0.012	0.000	0.000	0.000	0.000
113	A	173	ALA	0	0.059	0.034	31.118	-0.006	-0.006	0.000	0.000	0.000	0.000
114	A	174	GLU	-1	-0.771	-0.881	31.603	-0.054	-0.054	0.000	0.000	0.000	0.000
115	A	175	SER	0	-0.021	-0.014	32.823	-0.014	-0.014	0.000	0.000	0.000	0.000
116	A	176	HIS	0	-0.026	-0.003	28.979	0.000	0.000	0.000	0.000	0.000	0.000
117	A	177	PHE	0	0.038	0.007	25.126	-0.010	-0.010	0.000	0.000	0.000	0.000
118	A	178	ARG	1	0.810	0.902	29.026	0.034	0.034	0.000	0.000	0.000	0.000
119	A	179	ASN	0	-0.034	-0.008	31.336	-0.014	-0.014	0.000	0.000	0.000	0.000
120	A	180	SER	0	-0.002	-0.014	26.479	-0.006	-0.006	0.000	0.000	0.000	0.000
121	A	181	MET	0	-0.027	0.003	23.727	-0.011	-0.011	0.000	0.000	0.000	0.000
122	A	182	PRO	0	-0.002	0.004	25.383	-0.024	-0.024	0.000	0.000	0.000	0.000
123	A	183	SER	0	-0.041	-0.028	24.428	-0.021	-0.021	0.000	0.000	0.000	0.000
124	A	184	PHE	0	-0.038	-0.010	20.771	-0.014	-0.014	0.000	0.000	0.000	0.000
125	A	185	ALA	0	-0.010	-0.016	21.461	-0.039	-0.039	0.000	0.000	0.000	0.000
126	A	186	ILE	0	-0.030	0.006	22.995	0.009	0.009	0.000	0.000	0.000	0.000
127	A	187	SER	0	0.013	-0.007	23.589	-0.035	-0.035	0.000	0.000	0.000	0.000
128	A	188	GLY	0	-0.028	-0.004	23.473	0.009	0.009	0.000	0.000	0.000	0.000
129	A	189	TYR	0	-0.022	-0.027	18.759	-0.023	-0.023	0.000	0.000	0.000	0.000
130	A	190	GLU	-1	-0.843	-0.921	19.111	-0.364	-0.364	0.000	0.000	0.000	0.000
131	A	191	VAL	0	-0.028	-0.026	15.300	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	192	LEU	0	0.016	0.004	13.605	-0.051	-0.051	0.000	0.000	0.000	0.000
133	A	193	PHE	0	0.020	0.009	14.582	-0.012	-0.012	0.000	0.000	0.000	0.000
134	A	194	LEU	0	-0.023	0.004	15.598	0.055	0.055	0.000	0.000	0.000	0.000
135	A	195	THR	0	0.057	0.023	11.992	0.100	0.100	0.000	0.000	0.000	0.000
136	A	196	THR	0	0.005	0.013	14.978	0.091	0.091	0.000	0.000	0.000	0.000
137	A	197	TYR	0	0.038	0.011	17.062	0.052	0.052	0.000	0.000	0.000	0.000
138	A	198	ALA	0	0.006	-0.003	17.571	0.036	0.036	0.000	0.000	0.000	0.000
139	A	199	GLN	0	0.005	0.009	15.807	0.085	0.085	0.000	0.000	0.000	0.000
140	A	200	ALA	0	0.026	0.018	19.376	0.041	0.041	0.000	0.000	0.000	0.000
141	A	201	ALA	0	-0.009	-0.014	22.299	0.020	0.020	0.000	0.000	0.000	0.000
142	A	202	ASN	0	0.050	0.031	21.750	0.011	0.011	0.000	0.000	0.000	0.000
143	A	203	THR	0	-0.013	0.009	22.798	0.026	0.026	0.000	0.000	0.000	0.000
144	A	204	HIS	0	-0.007	0.018	25.284	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	205	LEU	0	0.007	-0.009	27.140	0.010	0.010	0.000	0.000	0.000	0.000
146	A	206	PHE	0	0.034	0.023	27.022	0.008	0.008	0.000	0.000	0.000	0.000
147	A	207	LEU	0	0.025	0.029	29.078	0.010	0.010	0.000	0.000	0.000	0.000
148	A	208	LEU	0	-0.005	-0.024	31.039	0.004	0.004	0.000	0.000	0.000	0.000
149	A	209	LYS	1	0.790	0.904	30.870	0.006	0.006	0.000	0.000	0.000	0.000
150	A	210	ASP	-1	-0.718	-0.815	33.383	0.021	0.021	0.000	0.000	0.000	0.000
151	A	211	ALA	0	-0.017	-0.002	35.903	0.004	0.004	0.000	0.000	0.000	0.000
152	A	212	GLN	0	-0.082	-0.056	38.145	0.001	0.001	0.000	0.000	0.000	0.000
153	A	213	ILE	0	-0.041	0.001	35.745	0.000	0.000	0.000	0.000	0.000	0.000
154	A	214	TYR	0	-0.007	-0.024	36.344	0.003	0.003	0.000	0.000	0.000	0.000
155	A	215	GLY	0	0.036	0.027	41.254	0.002	0.002	0.000	0.000	0.000	0.000
156	A	216	GLU	-1	-0.942	-0.982	42.965	-0.002	-0.002	0.000	0.000	0.000	0.000
157	A	217	GLU	-1	-0.880	-0.912	43.289	0.028	0.028	0.000	0.000	0.000	0.000
158	A	218	TRP	0	-0.011	-0.019	37.056	0.002	0.002	0.000	0.000	0.000	0.000
159	A	219	GLY	0	-0.011	0.008	44.685	0.001	0.001	0.000	0.000	0.000	0.000
160	A	220	TYR	0	-0.051	-0.025	39.997	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	221	GLU	-1	-0.902	-0.925	46.383	-0.005	-0.005	0.000	0.000	0.000	0.000
162	A	222	LYS	1	0.939	0.946	47.005	0.016	0.016	0.000	0.000	0.000	0.000
163	A	223	GLU	-1	-0.911	-0.966	47.003	-0.021	-0.021	0.000	0.000	0.000	0.000
164	A	224	ASP	-1	-0.792	-0.900	43.966	-0.017	-0.017	0.000	0.000	0.000	0.000
165	A	225	ILE	0	-0.032	-0.009	42.221	-0.004	-0.004	0.000	0.000	0.000	0.000
166	A	226	ALA	0	0.001	-0.001	41.871	-0.005	-0.005	0.000	0.000	0.000	0.000
167	A	227	GLU	-1	-0.900	-0.927	41.269	-0.046	-0.046	0.000	0.000	0.000	0.000
168	A	228	PHE	0	0.008	-0.006	37.660	-0.007	-0.007	0.000	0.000	0.000	0.000
169	A	229	TYR	0	-0.052	-0.044	37.615	-0.006	-0.006	0.000	0.000	0.000	0.000
170	A	230	LYS	1	0.952	0.963	38.015	0.056	0.056	0.000	0.000	0.000	0.000
171	A	231	ARG	1	0.804	0.904	35.001	0.040	0.040	0.000	0.000	0.000	0.000
172	A	232	GLN	0	0.027	0.007	32.892	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	233	LEU	0	-0.019	0.003	33.395	-0.012	-0.012	0.000	0.000	0.000	0.000
174	A	234	LYS	1	0.917	0.970	34.227	0.090	0.090	0.000	0.000	0.000	0.000
175	A	235	LEU	0	-0.008	-0.007	30.490	-0.010	-0.010	0.000	0.000	0.000	0.000
176	A	236	THR	0	0.012	0.008	29.580	-0.013	-0.013	0.000	0.000	0.000	0.000
177	A	237	GLN	0	-0.055	-0.013	29.250	-0.008	-0.008	0.000	0.000	0.000	0.000
178	A	238	GLU	-1	-0.935	-0.976	29.623	-0.155	-0.155	0.000	0.000	0.000	0.000
179	A	239	TYR	0	0.011	-0.034	25.403	-0.024	-0.024	0.000	0.000	0.000	0.000
180	A	240	THR	0	0.003	-0.008	24.751	-0.032	-0.032	0.000	0.000	0.000	0.000
181	A	241	ASP	-1	-0.784	-0.910	24.999	-0.242	-0.242	0.000	0.000	0.000	0.000
182	A	242	HIS	0	-0.059	-0.018	22.203	-0.013	-0.013	0.000	0.000	0.000	0.000
183	A	243	CYS	0	-0.028	-0.028	20.698	-0.036	-0.036	0.000	0.000	0.000	0.000
184	A	244	VAL	0	0.024	0.021	20.879	-0.055	-0.055	0.000	0.000	0.000	0.000
185	A	245	LYS	1	0.903	0.967	22.473	0.277	0.277	0.000	0.000	0.000	0.000
186	A	246	TRP	0	0.044	-0.007	20.108	-0.026	-0.026	0.000	0.000	0.000	0.000
187	A	247	TYR	0	0.052	0.045	15.771	-0.076	-0.076	0.000	0.000	0.000	0.000
188	A	248	ASN	0	0.018	-0.004	18.376	-0.095	-0.095	0.000	0.000	0.000	0.000
189	A	249	VAL	0	-0.035	0.008	20.747	-0.016	-0.016	0.000	0.000	0.000	0.000
190	A	250	GLY	0	0.009	-0.005	16.743	-0.012	-0.012	0.000	0.000	0.000	0.000
191	A	251	LEU	0	-0.006	-0.009	16.513	-0.060	-0.060	0.000	0.000	0.000	0.000
192	A	252	ASP	-1	-0.877	-0.972	17.764	-0.520	-0.520	0.000	0.000	0.000	0.000
193	A	253	LYS	1	0.901	0.962	17.781	0.622	0.622	0.000	0.000	0.000	0.000
194	A	254	LEU	0	0.014	0.008	12.756	-0.010	-0.010	0.000	0.000	0.000	0.000
195	A	255	ARG	1	0.822	0.944	16.750	0.515	0.515	0.000	0.000	0.000	0.000
196	A	256	GLY	0	0.056	0.032	19.526	0.018	0.018	0.000	0.000	0.000	0.000
197	A	257	SER	0	-0.033	-0.027	20.339	0.016	0.016	0.000	0.000	0.000	0.000
198	A	258	SER	0	0.017	0.007	17.462	0.015	0.015	0.000	0.000	0.000	0.000
199	A	259	TYR	0	0.062	0.031	13.721	-0.025	-0.025	0.000	0.000	0.000	0.000
200	A	260	GLU	-1	-0.872	-0.960	13.647	-0.822	-0.822	0.000	0.000	0.000	0.000
201	A	261	SER	0	-0.032	-0.009	13.283	-0.146	-0.146	0.000	0.000	0.000	0.000
202	A	262	TRP	0	-0.004	-0.018	14.617	-0.118	-0.118	0.000	0.000	0.000	0.000
203	A	263	VAL	0	-0.005	0.005	9.534	-0.057	-0.057	0.000	0.000	0.000	0.000
204	A	264	ASN	0	0.005	0.004	9.768	-0.476	-0.476	0.000	0.000	0.000	0.000
205	A	265	PHE	0	0.000	0.010	11.148	-0.081	-0.081	0.000	0.000	0.000	0.000
206	A	266	ASN	0	-0.009	-0.015	12.871	0.122	0.122	0.000	0.000	0.000	0.000
207	A	267	ARG	1	0.916	0.982	5.136	3.666	3.666	0.000	0.000	0.000	0.000
208	A	268	TYR	0	0.022	0.001	9.631	-0.031	-0.031	0.000	0.000	0.000	0.000
209	A	269	ARG	1	0.868	0.912	11.002	0.879	0.879	0.000	0.000	0.000	0.000
210	A	270	ARG	1	0.847	0.929	7.230	2.386	2.386	0.000	0.000	0.000	0.000
211	A	271	GLU	-1	-0.837	-0.937	5.547	-4.021	-4.021	0.000	0.000	0.000	0.000
212	A	272	MET	0	-0.005	0.004	10.326	0.208	0.208	0.000	0.000	0.000	0.000
213	A	273	THR	0	-0.051	-0.038	13.414	0.184	0.184	0.000	0.000	0.000	0.000
214	A	274	LEU	0	-0.031	-0.007	10.442	0.090	0.090	0.000	0.000	0.000	0.000
215	A	275	THR	0	-0.016	-0.021	11.057	0.132	0.132	0.000	0.000	0.000	0.000
216	A	276	VAL	0	-0.029	-0.013	14.130	0.094	0.094	0.000	0.000	0.000	0.000
217	A	277	LEU	0	-0.065	-0.041	16.947	0.073	0.073	0.000	0.000	0.000	0.000
218	A	278	ASP	-1	-0.727	-0.845	17.293	-0.366	-0.366	0.000	0.000	0.000	0.000
219	A	279	LEU	0	-0.013	0.000	18.428	0.049	0.049	0.000	0.000	0.000	0.000
220	A	280	ILE	0	-0.036	-0.023	20.768	0.033	0.033	0.000	0.000	0.000	0.000
221	A	281	ALA	0	-0.040	-0.005	22.876	0.020	0.020	0.000	0.000	0.000	0.000
222	A	282	LEU	0	-0.002	-0.013	22.907	0.023	0.023	0.000	0.000	0.000	0.000
223	A	283	PHE	0	-0.003	0.012	23.177	0.016	0.016	0.000	0.000	0.000	0.000
224	A	284	PRO	0	-0.001	-0.003	27.813	0.016	0.016	0.000	0.000	0.000	0.000
225	A	285	LEU	0	-0.016	0.001	28.488	0.011	0.011	0.000	0.000	0.000	0.000
226	A	286	TYR	0	0.006	-0.016	24.921	0.016	0.016	0.000	0.000	0.000	0.000
227	A	287	ASP	-1	-0.773	-0.868	31.826	-0.053	-0.053	0.000	0.000	0.000	0.000
228	A	288	VAL	0	0.028	0.001	35.292	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	289	ARG	1	0.852	0.926	37.352	0.035	0.035	0.000	0.000	0.000	0.000
230	A	290	LEU	0	-0.005	0.012	37.441	0.002	0.002	0.000	0.000	0.000	0.000
231	A	291	TYR	0	-0.069	-0.056	35.201	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	292	PRO	0	0.001	-0.003	37.295	0.005	0.005	0.000	0.000	0.000	0.000
233	A	293	LYS	1	0.909	0.957	38.329	0.028	0.028	0.000	0.000	0.000	0.000
234	A	294	GLU	-1	-0.867	-0.920	33.890	0.009	0.009	0.000	0.000	0.000	0.000
235	A	295	VAL	0	-0.024	-0.015	31.484	-0.004	-0.004	0.000	0.000	0.000	0.000
236	A	296	LYS	1	0.803	0.899	31.173	0.052	0.052	0.000	0.000	0.000	0.000
237	A	297	THR	0	-0.021	-0.043	27.376	-0.011	-0.011	0.000	0.000	0.000	0.000
238	A	298	GLU	-1	-0.758	-0.861	25.648	-0.103	-0.103	0.000	0.000	0.000	0.000
239	A	299	LEU	0	-0.016	0.001	20.275	-0.015	-0.015	0.000	0.000	0.000	0.000
240	A	300	THR	0	-0.028	-0.027	22.997	-0.009	-0.009	0.000	0.000	0.000	0.000
241	A	301	ARG	1	0.726	0.831	16.359	0.409	0.409	0.000	0.000	0.000	0.000
242	A	302	ASP	-1	-0.833	-0.901	19.704	-0.347	-0.347	0.000	0.000	0.000	0.000
243	A	303	VAL	0	-0.031	-0.020	14.214	-0.058	-0.058	0.000	0.000	0.000	0.000
244	A	304	LEU	0	-0.009	-0.004	14.916	0.070	0.070	0.000	0.000	0.000	0.000
245	A	305	THR	0	0.042	0.034	10.345	-0.126	-0.126	0.000	0.000	0.000	0.000
246	A	306	ASP	-1	-0.850	-0.941	7.371	-2.851	-2.851	0.000	0.000	0.000	0.000
247	A	307	PRO	0	-0.042	-0.025	10.695	0.197	0.197	0.000	0.000	0.000	0.000
248	A	308	ILE	0	-0.018	0.010	12.116	-0.070	-0.070	0.000	0.000	0.000	0.000
249	A	309	VAL	0	-0.012	-0.021	12.568	0.069	0.069	0.000	0.000	0.000	0.000
250	A	310	GLY	0	0.030	0.017	13.369	0.018	0.018	0.000	0.000	0.000	0.000
251	A	311	VAL	0	-0.031	-0.013	15.145	0.056	0.056	0.000	0.000	0.000	0.000
252	A	312	ASN	0	0.033	0.008	10.714	-0.134	-0.134	0.000	0.000	0.000	0.000
253	A	313	ASN	0	0.020	0.011	12.609	-0.132	-0.132	0.000	0.000	0.000	0.000
254	A	314	LEU	0	0.048	0.027	15.369	0.086	0.086	0.000	0.000	0.000	0.000
255	A	315	ARG	1	0.940	0.956	18.138	0.334	0.334	0.000	0.000	0.000	0.000
256	A	316	GLY	0	0.035	0.022	19.853	0.040	0.040	0.000	0.000	0.000	0.000
257	A	317	TYR	0	-0.068	-0.042	21.499	0.020	0.020	0.000	0.000	0.000	0.000
258	A	318	GLY	0	0.056	0.041	18.731	0.018	0.018	0.000	0.000	0.000	0.000
259	A	319	THR	0	-0.021	-0.027	19.688	0.013	0.013	0.000	0.000	0.000	0.000
260	A	320	THR	0	0.023	0.002	20.001	-0.056	-0.056	0.000	0.000	0.000	0.000
261	A	321	PHE	0	0.079	0.041	17.983	0.012	0.012	0.000	0.000	0.000	0.000
262	A	322	SER	0	-0.006	-0.013	20.782	-0.008	-0.008	0.000	0.000	0.000	0.000
263	A	323	ASN	0	-0.036	-0.023	23.871	0.035	0.035	0.000	0.000	0.000	0.000
264	A	324	ILE	0	0.014	0.025	18.036	0.023	0.023	0.000	0.000	0.000	0.000
265	A	325	GLU	-1	-0.797	-0.894	19.787	-0.596	-0.596	0.000	0.000	0.000	0.000
266	A	326	ASN	0	-0.042	-0.017	21.978	0.014	0.014	0.000	0.000	0.000	0.000
267	A	327	TYR	0	-0.096	-0.059	24.372	0.047	0.047	0.000	0.000	0.000	0.000
268	A	328	ILE	0	0.008	0.027	19.916	0.020	0.020	0.000	0.000	0.000	0.000
269	A	329	ARG	1	0.779	0.869	23.145	0.274	0.274	0.000	0.000	0.000	0.000
270	A	330	LYS	1	0.962	0.989	24.307	0.277	0.277	0.000	0.000	0.000	0.000
271	A	331	PRO	0	0.026	0.006	26.713	0.009	0.009	0.000	0.000	0.000	0.000
272	A	332	HIS	1	0.821	0.907	24.424	0.278	0.278	0.000	0.000	0.000	0.000
273	A	333	LEU	0	0.021	0.011	28.843	-0.006	-0.006	0.000	0.000	0.000	0.000
274	A	334	PHE	0	0.005	0.011	24.180	-0.010	-0.010	0.000	0.000	0.000	0.000
275	A	335	ASP	-1	-0.823	-0.883	27.012	-0.181	-0.181	0.000	0.000	0.000	0.000
276	A	336	TYR	0	0.038	0.006	26.115	-0.012	-0.012	0.000	0.000	0.000	0.000
277	A	337	LEU	0	0.023	0.012	23.007	0.002	0.002	0.000	0.000	0.000	0.000
278	A	338	HIS	0	-0.017	0.002	25.948	0.013	0.013	0.000	0.000	0.000	0.000
279	A	339	ARG	1	0.886	0.940	28.654	0.078	0.078	0.000	0.000	0.000	0.000
280	A	340	ILE	0	0.007	0.012	23.134	-0.021	-0.021	0.000	0.000	0.000	0.000
281	A	341	GLN	0	0.020	0.028	27.412	0.012	0.012	0.000	0.000	0.000	0.000
282	A	342	PHE	0	0.014	-0.012	22.312	-0.016	-0.016	0.000	0.000	0.000	0.000
283	A	343	HIS	0	-0.034	-0.027	27.491	0.013	0.013	0.000	0.000	0.000	0.000
284	A	344	THR	0	0.039	0.022	27.453	-0.008	-0.008	0.000	0.000	0.000	0.000
285	A	345	ARG	1	0.915	0.961	28.268	0.125	0.125	0.000	0.000	0.000	0.000
286	A	346	PHE	0	0.030	0.023	28.730	0.005	0.005	0.000	0.000	0.000	0.000
287	A	347	GLN	0	-0.050	-0.025	26.296	-0.023	-0.023	0.000	0.000	0.000	0.000
288	A	348	PRO	0	0.004	0.007	29.142	0.014	0.014	0.000	0.000	0.000	0.000
289	A	349	GLY	0	0.051	0.018	29.657	-0.013	-0.013	0.000	0.000	0.000	0.000
290	A	350	TYR	0	-0.020	-0.017	30.530	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	351	TYR	0	0.018	0.006	32.098	0.001	0.001	0.000	0.000	0.000	0.000
292	A	352	GLY	0	0.012	0.027	33.519	0.008	0.008	0.000	0.000	0.000	0.000
293	A	353	ASN	0	-0.048	-0.044	32.134	-0.003	-0.003	0.000	0.000	0.000	0.000
294	A	354	ASP	-1	-0.821	-0.910	27.693	-0.011	-0.011	0.000	0.000	0.000	0.000
295	A	355	SER	0	-0.054	-0.026	27.657	-0.015	-0.015	0.000	0.000	0.000	0.000
296	A	356	PHE	0	-0.051	-0.032	23.177	0.017	0.017	0.000	0.000	0.000	0.000
297	A	357	ASN	0	0.030	0.024	27.055	-0.022	-0.022	0.000	0.000	0.000	0.000
298	A	358	TYR	0	-0.054	-0.036	23.171	0.002	0.002	0.000	0.000	0.000	0.000
299	A	359	TRP	0	0.044	0.010	19.372	-0.003	-0.003	0.000	0.000	0.000	0.000
300	A	360	SER	0	-0.014	-0.029	23.631	-0.021	-0.021	0.000	0.000	0.000	0.000
301	A	361	GLY	0	0.061	0.026	26.192	-0.023	-0.023	0.000	0.000	0.000	0.000
302	A	362	ASN	0	-0.009	-0.002	24.649	-0.004	-0.004	0.000	0.000	0.000	0.000
303	A	363	TYR	0	-0.009	0.013	27.333	-0.006	-0.006	0.000	0.000	0.000	0.000
304	A	364	VAL	0	-0.001	0.000	24.758	0.006	0.006	0.000	0.000	0.000	0.000
305	A	365	SER	0	-0.010	0.004	27.952	0.003	0.003	0.000	0.000	0.000	0.000
306	A	366	THR	0	0.018	0.012	26.843	0.005	0.005	0.000	0.000	0.000	0.000
307	A	367	ARG	1	0.876	0.949	29.604	0.083	0.083	0.000	0.000	0.000	0.000
308	A	368	PRO	0	0.056	0.026	30.722	-0.011	-0.011	0.000	0.000	0.000	0.000
309	A	369	SER	0	0.024	0.001	32.159	0.009	0.009	0.000	0.000	0.000	0.000
310	A	370	ILE	0	-0.002	0.013	32.991	0.004	0.004	0.000	0.000	0.000	0.000
311	A	371	GLY	0	0.016	-0.003	35.675	-0.004	-0.004	0.000	0.000	0.000	0.000
312	A	372	SER	0	-0.031	0.000	37.211	0.004	0.004	0.000	0.000	0.000	0.000
313	A	373	ASN	0	0.011	-0.025	37.102	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	374	ASP	-1	-0.977	-0.970	37.905	-0.089	-0.089	0.000	0.000	0.000	0.000
315	A	375	ILE	0	-0.014	-0.011	33.224	-0.006	-0.006	0.000	0.000	0.000	0.000
316	A	376	ILE	0	0.017	0.024	32.022	0.000	0.000	0.000	0.000	0.000	0.000
317	A	377	THR	0	-0.045	-0.041	32.018	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	378	SER	0	-0.011	0.007	29.066	0.000	0.000	0.000	0.000	0.000	0.000
319	A	379	PRO	0	-0.005	-0.008	30.108	0.012	0.012	0.000	0.000	0.000	0.000
320	A	380	PHE	0	-0.043	-0.026	30.338	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	381	TYR	0	0.054	0.044	25.922	-0.011	-0.011	0.000	0.000	0.000	0.000
322	A	382	GLY	0	0.061	0.040	26.916	0.008	0.008	0.000	0.000	0.000	0.000
323	A	383	ASN	0	-0.006	-0.033	27.633	0.018	0.018	0.000	0.000	0.000	0.000
324	A	384	LYS	1	0.920	0.977	29.993	0.127	0.127	0.000	0.000	0.000	0.000
325	A	385	SER	0	0.017	0.000	31.837	-0.004	-0.004	0.000	0.000	0.000	0.000
326	A	386	SER	0	-0.094	-0.053	32.606	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	387	GLU	-1	-0.899	-0.928	31.746	-0.034	-0.034	0.000	0.000	0.000	0.000
328	A	388	PRO	0	-0.009	-0.001	33.940	-0.007	-0.007	0.000	0.000	0.000	0.000
329	A	389	VAL	0	-0.031	-0.006	31.999	0.001	0.001	0.000	0.000	0.000	0.000
330	A	390	GLN	0	-0.006	-0.009	28.150	0.015	0.015	0.000	0.000	0.000	0.000
331	A	391	ASN	0	-0.005	-0.011	29.745	-0.022	-0.022	0.000	0.000	0.000	0.000
332	A	392	LEU	0	0.027	0.037	24.770	0.010	0.010	0.000	0.000	0.000	0.000
333	A	393	GLU	-1	-0.864	-0.951	28.785	-0.050	-0.050	0.000	0.000	0.000	0.000
334	A	394	PHE	0	0.030	0.003	24.179	0.004	0.004	0.000	0.000	0.000	0.000
335	A	395	ASN	0	-0.070	-0.041	28.471	-0.005	-0.005	0.000	0.000	0.000	0.000
336	A	396	GLY	0	0.047	0.025	30.533	0.008	0.008	0.000	0.000	0.000	0.000
337	A	397	GLU	-1	-0.881	-0.917	26.414	0.042	0.042	0.000	0.000	0.000	0.000
338	A	398	LYS	1	0.895	0.961	23.165	-0.012	-0.012	0.000	0.000	0.000	0.000
339	A	399	VAL	0	-0.039	-0.020	18.988	0.021	0.021	0.000	0.000	0.000	0.000
340	A	400	TYR	0	0.063	0.030	17.589	-0.048	-0.048	0.000	0.000	0.000	0.000
341	A	401	ARG	1	0.832	0.893	12.279	-0.528	-0.528	0.000	0.000	0.000	0.000
342	A	402	ALA	0	-0.003	0.000	14.511	-0.017	-0.017	0.000	0.000	0.000	0.000
343	A	403	VAL	0	0.005	0.015	13.264	-0.015	-0.015	0.000	0.000	0.000	0.000
344	A	404	ALA	0	-0.008	-0.010	13.941	-0.037	-0.037	0.000	0.000	0.000	0.000
345	A	405	ASN	0	-0.007	0.000	14.822	0.077	0.077	0.000	0.000	0.000	0.000
346	A	406	THR	0	-0.021	-0.025	14.879	-0.073	-0.073	0.000	0.000	0.000	0.000
347	A	407	ASN	0	-0.009	-0.009	17.661	0.055	0.055	0.000	0.000	0.000	0.000
348	A	408	LEU	0	-0.003	-0.015	18.114	-0.055	-0.055	0.000	0.000	0.000	0.000
349	A	409	ALA	0	0.019	0.034	21.588	0.027	0.027	0.000	0.000	0.000	0.000
350	A	410	VAL	0	-0.008	-0.020	23.319	-0.027	-0.027	0.000	0.000	0.000	0.000
351	A	411	TRP	0	-0.024	-0.023	25.837	0.011	0.011	0.000	0.000	0.000	0.000
352	A	412	PRO	0	-0.016	-0.008	28.455	-0.009	-0.009	0.000	0.000	0.000	0.000
353	A	413	SER	0	0.008	0.004	29.114	-0.003	-0.003	0.000	0.000	0.000	0.000
354	A	414	ALA	0	-0.083	-0.041	26.529	-0.020	-0.020	0.000	0.000	0.000	0.000
355	A	415	VAL	0	0.027	0.030	21.069	0.018	0.018	0.000	0.000	0.000	0.000
356	A	416	TYR	0	-0.010	0.003	23.746	-0.032	-0.032	0.000	0.000	0.000	0.000
357	A	417	SER	0	0.000	-0.010	18.954	0.007	0.007	0.000	0.000	0.000	0.000
358	A	418	GLY	0	0.004	0.007	20.181	-0.034	-0.034	0.000	0.000	0.000	0.000
359	A	419	VAL	0	0.042	0.023	17.159	0.031	0.031	0.000	0.000	0.000	0.000
360	A	420	THR	0	-0.056	-0.054	19.567	-0.003	-0.003	0.000	0.000	0.000	0.000
361	A	421	LYS	1	0.909	0.963	20.187	-0.130	-0.130	0.000	0.000	0.000	0.000
362	A	422	VAL	0	-0.006	0.000	17.602	-0.007	-0.007	0.000	0.000	0.000	0.000
363	A	423	GLU	-1	-0.920	-0.955	18.546	0.212	0.212	0.000	0.000	0.000	0.000
364	A	424	PHE	0	-0.014	-0.023	18.353	-0.003	-0.003	0.000	0.000	0.000	0.000
365	A	425	SER	0	-0.013	-0.005	18.731	0.036	0.036	0.000	0.000	0.000	0.000
366	A	426	GLN	0	0.017	0.004	20.550	-0.045	-0.045	0.000	0.000	0.000	0.000
367	A	427	TYR	0	-0.025	-0.041	23.283	0.029	0.029	0.000	0.000	0.000	0.000
368	A	428	ASN	0	0.073	0.050	25.187	-0.025	-0.025	0.000	0.000	0.000	0.000
369	A	429	ASP	-1	-0.885	-0.968	28.082	0.013	0.013	0.000	0.000	0.000	0.000
370	A	430	GLN	0	-0.116	-0.049	29.634	-0.005	-0.005	0.000	0.000	0.000	0.000
371	A	431	THR	0	-0.083	-0.062	32.601	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	432	ASP	-1	-0.854	-0.885	30.171	0.084	0.084	0.000	0.000	0.000	0.000
373	A	433	GLU	-1	-0.893	-0.935	29.432	0.095	0.095	0.000	0.000	0.000	0.000
374	A	434	ALA	0	-0.024	-0.017	23.980	-0.012	-0.012	0.000	0.000	0.000	0.000
375	A	435	SER	0	-0.047	-0.021	25.077	0.002	0.002	0.000	0.000	0.000	0.000
376	A	436	THR	0	-0.004	-0.008	22.081	-0.006	-0.006	0.000	0.000	0.000	0.000
377	A	437	GLN	0	-0.027	-0.019	23.597	-0.012	-0.012	0.000	0.000	0.000	0.000
378	A	438	THR	0	-0.057	-0.029	22.874	-0.006	-0.006	0.000	0.000	0.000	0.000
379	A	439	TYR	0	-0.006	0.002	22.443	-0.014	-0.014	0.000	0.000	0.000	0.000
380	A	440	ASP	-1	-0.811	-0.934	23.473	0.087	0.087	0.000	0.000	0.000	0.000
381	A	441	SER	0	0.047	0.039	25.064	-0.003	-0.003	0.000	0.000	0.000	0.000
382	A	442	LYS	1	0.831	0.920	26.823	-0.053	-0.053	0.000	0.000	0.000	0.000
383	A	443	ARG	1	0.910	0.957	28.057	0.017	0.017	0.000	0.000	0.000	0.000
384	A	444	ASN	0	-0.029	-0.024	25.599	0.009	0.009	0.000	0.000	0.000	0.000
385	A	445	VAL	0	0.083	0.038	21.866	-0.015	-0.015	0.000	0.000	0.000	0.000
386	A	446	GLY	0	0.045	0.065	20.643	-0.010	-0.010	0.000	0.000	0.000	0.000
387	A	447	ALA	0	0.019	-0.001	17.114	0.019	0.019	0.000	0.000	0.000	0.000
388	A	448	VAL	0	0.007	-0.004	14.057	-0.063	-0.063	0.000	0.000	0.000	0.000
389	A	449	SER	0	-0.016	-0.006	11.792	0.092	0.092	0.000	0.000	0.000	0.000
390	A	450	TRP	0	-0.055	-0.026	9.837	0.040	0.040	0.000	0.000	0.000	0.000
391	A	451	ASP	-1	-0.690	-0.832	9.052	0.598	0.598	0.000	0.000	0.000	0.000
392	A	452	SER	0	0.046	0.026	8.506	-0.060	-0.060	0.000	0.000	0.000	0.000
393	A	453	ILE	0	-0.021	0.001	9.316	-0.229	-0.229	0.000	0.000	0.000	0.000
394	A	454	ASP	-1	-0.907	-0.949	4.360	1.953	2.017	-0.001	-0.005	-0.058	0.000
395	A	455	GLN	0	-0.041	-0.018	4.869	-1.184	-1.187	-0.001	-0.005	0.010	0.000
396	A	456	LEU	0	-0.057	-0.035	6.890	-0.092	-0.092	0.000	0.000	0.000	0.000
397	A	457	PRO	0	0.011	0.027	7.899	0.192	0.192	0.000	0.000	0.000	0.000
398	A	458	PRO	0	-0.017	0.000	10.539	-0.123	-0.123	0.000	0.000	0.000	0.000
399	A	459	GLU	-1	-0.925	-0.967	14.055	0.012	0.012	0.000	0.000	0.000	0.000
400	A	460	THR	0	0.021	0.016	16.615	0.031	0.031	0.000	0.000	0.000	0.000
401	A	461	THR	0	-0.032	-0.015	13.881	0.016	0.016	0.000	0.000	0.000	0.000
402	A	462	ASP	-1	-0.944	-0.963	16.949	0.405	0.405	0.000	0.000	0.000	0.000
403	A	463	GLU	-1	-0.961	-0.981	20.679	0.171	0.171	0.000	0.000	0.000	0.000
404	A	464	PRO	0	-0.022	-0.004	19.989	0.039	0.039	0.000	0.000	0.000	0.000
405	A	465	LEU	0	0.043	0.000	14.713	-0.034	-0.034	0.000	0.000	0.000	0.000
406	A	466	GLU	-1	-0.925	-0.960	18.681	0.190	0.190	0.000	0.000	0.000	0.000
407	A	467	LYS	1	0.941	0.977	21.545	-0.207	-0.207	0.000	0.000	0.000	0.000
408	A	468	GLY	0	0.089	0.045	19.199	-0.032	-0.032	0.000	0.000	0.000	0.000
409	A	469	TYR	0	-0.057	-0.021	16.399	-0.010	-0.010	0.000	0.000	0.000	0.000
410	A	470	SER	0	0.072	0.016	13.746	-0.050	-0.050	0.000	0.000	0.000	0.000
411	A	471	HIS	0	-0.016	-0.008	14.419	-0.110	-0.110	0.000	0.000	0.000	0.000
412	A	472	GLN	0	0.054	0.020	17.092	0.064	0.064	0.000	0.000	0.000	0.000
413	A	473	LEU	0	-0.043	-0.025	17.944	-0.052	-0.052	0.000	0.000	0.000	0.000
414	A	474	ASN	0	-0.091	-0.024	19.564	0.007	0.007	0.000	0.000	0.000	0.000
415	A	475	TYR	0	0.010	-0.039	20.603	0.024	0.024	0.000	0.000	0.000	0.000
416	A	476	VAL	0	0.027	0.023	19.999	-0.030	-0.030	0.000	0.000	0.000	0.000
417	A	477	MET	0	-0.026	-0.003	20.720	0.018	0.018	0.000	0.000	0.000	0.000
418	A	478	CYS	0	-0.043	0.003	20.862	-0.037	-0.037	0.000	0.000	0.000	0.000
419	A	479	PHE	0	0.012	0.007	20.376	0.014	0.014	0.000	0.000	0.000	0.000
420	A	480	LEU	0	0.009	0.008	22.792	0.010	0.010	0.000	0.000	0.000	0.000
421	A	481	MET	0	-0.069	-0.002	19.626	-0.027	-0.027	0.000	0.000	0.000	0.000
422	A	482	GLN	0	-0.003	-0.001	23.458	0.059	0.059	0.000	0.000	0.000	0.000
423	A	483	GLY	0	0.010	-0.009	25.806	0.006	0.006	0.000	0.000	0.000	0.000
424	A	484	SER	0	-0.028	-0.032	28.621	0.010	0.010	0.000	0.000	0.000	0.000
425	A	485	ARG	1	0.918	0.980	23.832	0.237	0.237	0.000	0.000	0.000	0.000
426	A	486	GLY	0	0.057	0.018	23.462	0.010	0.010	0.000	0.000	0.000	0.000
427	A	487	THR	0	-0.051	-0.052	21.973	-0.008	-0.008	0.000	0.000	0.000	0.000
428	A	488	ILE	0	-0.004	0.006	16.783	0.001	0.001	0.000	0.000	0.000	0.000
429	A	489	PRO	0	-0.004	0.010	17.429	-0.006	-0.006	0.000	0.000	0.000	0.000
430	A	490	VAL	0	0.003	-0.007	15.957	-0.072	-0.072	0.000	0.000	0.000	0.000
431	A	491	LEU	0	-0.008	0.001	14.988	0.075	0.075	0.000	0.000	0.000	0.000
432	A	492	THR	0	-0.030	-0.016	15.782	-0.096	-0.096	0.000	0.000	0.000	0.000
433	A	493	TRP	0	0.001	-0.013	14.053	0.094	0.094	0.000	0.000	0.000	0.000
434	A	494	THR	0	0.014	0.002	17.638	-0.019	-0.019	0.000	0.000	0.000	0.000
435	A	495	HIS	0	0.085	0.057	17.665	0.020	0.020	0.000	0.000	0.000	0.000
436	A	496	LYS	1	0.863	0.934	19.537	-0.050	-0.050	0.000	0.000	0.000	0.000
437	A	497	SER	0	-0.024	-0.025	21.357	0.015	0.015	0.000	0.000	0.000	0.000
438	A	498	VAL	0	-0.070	-0.020	23.740	0.009	0.009	0.000	0.000	0.000	0.000
439	A	499	ASP	-1	-0.740	-0.863	25.937	-0.033	-0.033	0.000	0.000	0.000	0.000
440	A	500	PHE	0	-0.058	-0.026	29.319	-0.008	-0.008	0.000	0.000	0.000	0.000
441	A	501	PHE	0	0.053	0.009	30.786	-0.005	-0.005	0.000	0.000	0.000	0.000
442	A	502	ASN	0	-0.043	0.004	32.988	-0.004	-0.004	0.000	0.000	0.000	0.000
443	A	503	MET	0	0.006	0.005	34.316	0.004	0.004	0.000	0.000	0.000	0.000
444	A	504	ILE	0	-0.042	-0.016	35.648	-0.004	-0.004	0.000	0.000	0.000	0.000
445	A	505	ASP	-1	-0.796	-0.898	36.100	-0.004	-0.004	0.000	0.000	0.000	0.000
446	A	506	SER	0	-0.031	-0.014	38.187	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	507	LYS	1	0.798	0.886	39.205	0.002	0.002	0.000	0.000	0.000	0.000
448	A	508	LYS	1	0.905	0.968	32.204	0.000	0.000	0.000	0.000	0.000	0.000
449	A	509	ILE	0	-0.030	-0.012	36.317	-0.002	-0.002	0.000	0.000	0.000	0.000
450	A	510	THR	0	0.000	0.002	34.316	0.000	0.000	0.000	0.000	0.000	0.000
451	A	511	GLN	0	-0.020	-0.020	30.867	-0.009	-0.009	0.000	0.000	0.000	0.000
452	A	512	LEU	0	0.023	-0.001	32.430	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	513	PRO	0	0.043	0.023	29.061	-0.003	-0.003	0.000	0.000	0.000	0.000
454	A	514	LEU	0	0.046	0.003	31.883	0.005	0.005	0.000	0.000	0.000	0.000
455	A	515	VAL	0	-0.027	-0.001	28.249	0.006	0.006	0.000	0.000	0.000	0.000
456	A	516	LYS	1	0.776	0.889	28.864	0.106	0.106	0.000	0.000	0.000	0.000
457	A	517	ALA	0	-0.012	0.008	32.312	0.012	0.012	0.000	0.000	0.000	0.000
458	A	518	TYR	0	-0.004	-0.020	34.486	-0.008	-0.008	0.000	0.000	0.000	0.000
459	A	519	LYS	1	0.918	0.959	36.667	0.080	0.080	0.000	0.000	0.000	0.000
460	A	520	LEU	0	0.027	0.027	35.397	0.001	0.001	0.000	0.000	0.000	0.000
461	A	521	GLN	0	-0.046	-0.041	39.602	0.004	0.004	0.000	0.000	0.000	0.000
462	A	522	SER	0	-0.013	-0.018	42.927	-0.002	-0.002	0.000	0.000	0.000	0.000
463	A	523	GLY	0	0.072	0.048	42.320	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	524	ALA	0	-0.023	0.009	39.316	-0.006	-0.006	0.000	0.000	0.000	0.000
465	A	525	SER	0	-0.055	-0.043	35.746	-0.005	-0.005	0.000	0.000	0.000	0.000
466	A	526	VAL	0	0.004	0.013	29.922	0.002	0.002	0.000	0.000	0.000	0.000
467	A	527	VAL	0	-0.016	-0.015	31.329	-0.008	-0.008	0.000	0.000	0.000	0.000
468	A	528	ALA	0	-0.018	-0.015	26.376	-0.004	-0.004	0.000	0.000	0.000	0.000
469	A	529	GLY	0	-0.004	0.005	26.784	0.015	0.015	0.000	0.000	0.000	0.000
470	A	530	PRO	0	-0.021	-0.014	26.261	-0.027	-0.027	0.000	0.000	0.000	0.000
471	A	531	ARG	1	0.886	0.935	21.376	0.393	0.393	0.000	0.000	0.000	0.000
472	A	532	PHE	0	0.084	0.041	22.733	-0.017	-0.017	0.000	0.000	0.000	0.000
473	A	533	THR	0	-0.008	-0.002	25.199	0.011	0.011	0.000	0.000	0.000	0.000
474	A	534	GLY	0	0.102	0.048	23.103	0.021	0.021	0.000	0.000	0.000	0.000
475	A	535	GLY	0	-0.021	-0.010	23.617	-0.009	-0.009	0.000	0.000	0.000	0.000
476	A	536	ASP	-1	-0.876	-0.928	25.226	-0.320	-0.320	0.000	0.000	0.000	0.000
477	A	537	ILE	0	-0.014	-0.008	27.906	0.017	0.017	0.000	0.000	0.000	0.000
478	A	538	ILE	0	-0.010	0.004	31.605	-0.005	-0.005	0.000	0.000	0.000	0.000
479	A	539	GLN	0	0.006	0.007	34.990	-0.003	-0.003	0.000	0.000	0.000	0.000
480	A	540	CYS	0	-0.023	-0.024	37.136	0.005	0.005	0.000	0.000	0.000	0.000
481	A	541	THR	0	-0.004	-0.024	40.577	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	542	GLU	-1	-0.919	-0.943	43.150	-0.107	-0.107	0.000	0.000	0.000	0.000
483	A	543	ASN	0	-0.048	-0.018	46.239	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	544	GLY	0	0.054	0.018	48.090	0.002	0.002	0.000	0.000	0.000	0.000
485	A	545	SER	0	-0.060	-0.028	45.607	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	546	ALA	0	0.019	0.026	41.291	-0.004	-0.004	0.000	0.000	0.000	0.000
487	A	547	ALA	0	0.039	0.004	38.513	-0.006	-0.006	0.000	0.000	0.000	0.000
488	A	548	THR	0	-0.060	-0.020	40.247	0.008	0.008	0.000	0.000	0.000	0.000
489	A	549	ILE	0	0.015	-0.006	35.223	-0.005	-0.005	0.000	0.000	0.000	0.000
490	A	550	TYR	0	-0.004	0.010	38.102	0.005	0.005	0.000	0.000	0.000	0.000
491	A	551	VAL	0	0.009	-0.006	37.774	-0.004	-0.004	0.000	0.000	0.000	0.000
492	A	552	THR	0	0.022	-0.003	37.662	0.005	0.005	0.000	0.000	0.000	0.000
493	A	553	PRO	0	-0.007	-0.014	39.352	0.000	0.000	0.000	0.000	0.000	0.000
494	A	554	ASP	-1	-0.748	-0.870	39.154	-0.008	-0.008	0.000	0.000	0.000	0.000
495	A	555	VAL	0	-0.075	-0.014	40.989	0.006	0.006	0.000	0.000	0.000	0.000
496	A	556	SER	0	0.009	-0.010	44.639	-0.003	-0.003	0.000	0.000	0.000	0.000
497	A	557	TYR	0	-0.022	-0.005	46.700	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	558	SER	0	0.064	0.040	48.937	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	559	GLN	0	-0.072	-0.033	45.207	0.003	0.003	0.000	0.000	0.000	0.000
500	A	560	LYS	1	0.934	0.967	48.224	0.021	0.021	0.000	0.000	0.000	0.000
501	A	561	TYR	0	0.050	0.020	42.121	0.002	0.002	0.000	0.000	0.000	0.000
502	A	562	ARG	1	0.867	0.944	44.962	0.043	0.043	0.000	0.000	0.000	0.000
503	A	563	ALA	0	0.040	0.027	42.648	0.000	0.000	0.000	0.000	0.000	0.000
504	A	564	ARG	1	0.822	0.894	38.528	0.066	0.066	0.000	0.000	0.000	0.000
505	A	565	ILE	0	-0.020	0.001	39.152	-0.003	-0.003	0.000	0.000	0.000	0.000
506	A	566	HIS	0	-0.026	-0.013	32.246	0.005	0.005	0.000	0.000	0.000	0.000
507	A	567	TYR	0	-0.034	-0.042	36.437	-0.006	-0.006	0.000	0.000	0.000	0.000
508	A	568	ALA	0	0.068	0.038	36.337	0.000	0.000	0.000	0.000	0.000	0.000
509	A	569	SER	0	0.012	-0.013	38.397	-0.002	-0.002	0.000	0.000	0.000	0.000
510	A	570	THR	0	0.007	-0.001	41.330	0.000	0.000	0.000	0.000	0.000	0.000
511	A	571	SER	0	-0.048	-0.026	43.498	0.003	0.003	0.000	0.000	0.000	0.000
512	A	572	GLN	0	0.014	0.023	46.084	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	573	ILE	0	-0.032	-0.005	43.849	0.000	0.000	0.000	0.000	0.000	0.000
514	A	574	THR	0	-0.008	-0.004	48.244	0.005	0.005	0.000	0.000	0.000	0.000
515	A	575	PHE	0	-0.007	0.008	41.725	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	576	THR	0	-0.003	-0.025	47.033	0.006	0.006	0.000	0.000	0.000	0.000
517	A	577	LEU	0	-0.027	-0.003	43.932	-0.004	-0.004	0.000	0.000	0.000	0.000
518	A	578	SER	0	0.033	0.007	46.751	0.005	0.005	0.000	0.000	0.000	0.000
519	A	579	LEU	0	0.016	0.007	45.409	-0.004	-0.004	0.000	0.000	0.000	0.000
520	A	580	ASP	-1	-0.819	-0.912	47.195	-0.043	-0.043	0.000	0.000	0.000	0.000
521	A	581	GLY	0	-0.029	-0.014	48.858	0.002	0.002	0.000	0.000	0.000	0.000
522	A	582	ALA	0	-0.001	0.004	50.712	0.000	0.000	0.000	0.000	0.000	0.000
523	A	583	PRO	0	-0.004	-0.007	51.265	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	584	PHE	0	-0.023	-0.010	46.066	0.003	0.003	0.000	0.000	0.000	0.000
525	A	585	ASN	0	-0.040	-0.023	48.323	0.002	0.002	0.000	0.000	0.000	0.000
526	A	586	GLN	0	-0.023	-0.002	49.941	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	587	TYR	0	-0.053	-0.018	48.571	0.005	0.005	0.000	0.000	0.000	0.000
528	A	588	TYR	0	0.041	0.016	49.751	-0.003	-0.003	0.000	0.000	0.000	0.000
529	A	589	PHE	0	-0.005	-0.012	44.911	0.001	0.001	0.000	0.000	0.000	0.000
530	A	590	ASP	-1	-0.867	-0.924	45.396	-0.080	-0.080	0.000	0.000	0.000	0.000
531	A	591	LYS	1	0.865	0.956	44.494	0.103	0.103	0.000	0.000	0.000	0.000
532	A	592	THR	0	-0.039	-0.034	38.993	0.003	0.003	0.000	0.000	0.000	0.000
533	A	593	ILE	0	0.014	0.018	37.451	-0.004	-0.004	0.000	0.000	0.000	0.000
534	A	594	ASN	0	-0.040	-0.022	40.885	0.014	0.014	0.000	0.000	0.000	0.000
535	A	595	LYS	1	0.944	0.954	40.824	0.108	0.108	0.000	0.000	0.000	0.000
536	A	596	GLY	0	-0.044	-0.024	39.036	0.002	0.002	0.000	0.000	0.000	0.000
537	A	597	ASP	-1	-0.816	-0.885	37.367	-0.158	-0.158	0.000	0.000	0.000	0.000
538	A	598	THR	0	-0.058	-0.038	31.853	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	599	LEU	0	-0.009	-0.010	31.653	0.007	0.007	0.000	0.000	0.000	0.000
540	A	600	THR	0	-0.006	0.002	30.215	-0.014	-0.014	0.000	0.000	0.000	0.000
541	A	601	TYR	0	0.051	0.030	29.687	0.014	0.014	0.000	0.000	0.000	0.000
542	A	602	ASN	0	0.023	-0.006	31.662	0.010	0.010	0.000	0.000	0.000	0.000
543	A	603	SER	0	-0.042	-0.011	33.958	0.007	0.007	0.000	0.000	0.000	0.000
544	A	604	PHE	0	-0.037	-0.016	32.020	0.002	0.002	0.000	0.000	0.000	0.000
545	A	605	ASN	0	0.029	0.011	36.143	0.006	0.006	0.000	0.000	0.000	0.000
546	A	606	LEU	0	-0.002	0.001	36.752	-0.003	-0.003	0.000	0.000	0.000	0.000
547	A	607	ALA	0	-0.012	0.010	39.357	0.006	0.006	0.000	0.000	0.000	0.000
548	A	608	SER	0	-0.031	-0.025	42.954	0.000	0.000	0.000	0.000	0.000	0.000
549	A	609	PHE	0	0.029	0.023	43.634	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	610	SER	0	0.005	-0.003	47.562	0.002	0.002	0.000	0.000	0.000	0.000
551	A	611	THR	0	-0.002	-0.007	50.898	0.003	0.003	0.000	0.000	0.000	0.000
552	A	612	PRO	0	-0.034	-0.019	49.355	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	613	PHE	0	-0.011	-0.006	44.345	0.000	0.000	0.000	0.000	0.000	0.000
554	A	614	GLU	-1	-0.874	-0.945	48.567	-0.021	-0.021	0.000	0.000	0.000	0.000
555	A	615	LEU	0	-0.008	-0.005	42.493	-0.003	-0.003	0.000	0.000	0.000	0.000
556	A	616	SER	0	-0.021	-0.010	46.951	0.001	0.001	0.000	0.000	0.000	0.000
557	A	617	GLY	0	0.050	0.020	47.473	0.000	0.000	0.000	0.000	0.000	0.000
558	A	618	ASN	0	-0.069	-0.029	42.730	0.001	0.001	0.000	0.000	0.000	0.000
559	A	619	ASN	0	-0.041	-0.009	42.480	-0.009	-0.009	0.000	0.000	0.000	0.000
560	A	620	LEU	0	0.041	0.037	40.656	0.002	0.002	0.000	0.000	0.000	0.000
561	A	621	GLN	0	-0.018	-0.010	42.240	-0.004	-0.004	0.000	0.000	0.000	0.000
562	A	622	ILE	0	-0.001	0.006	40.178	0.004	0.004	0.000	0.000	0.000	0.000
563	A	623	GLY	0	-0.006	-0.013	43.765	-0.004	-0.004	0.000	0.000	0.000	0.000
564	A	624	VAL	0	0.013	-0.003	43.353	0.001	0.001	0.000	0.000	0.000	0.000
565	A	625	THR	0	-0.016	-0.013	46.689	0.002	0.002	0.000	0.000	0.000	0.000
566	A	626	GLY	0	0.057	0.025	49.295	0.000	0.000	0.000	0.000	0.000	0.000
567	A	627	LEU	0	-0.040	-0.005	44.665	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	628	SER	0	0.009	0.009	48.791	0.006	0.006	0.000	0.000	0.000	0.000
569	A	629	ALA	0	0.027	0.000	48.285	-0.005	-0.005	0.000	0.000	0.000	0.000
570	A	630	GLY	0	-0.025	-0.021	45.447	0.001	0.001	0.000	0.000	0.000	0.000
571	A	631	ASP	-1	-0.854	-0.908	44.393	-0.113	-0.113	0.000	0.000	0.000	0.000
572	A	632	LYS	1	0.905	0.943	37.547	0.168	0.168	0.000	0.000	0.000	0.000
573	A	633	VAL	0	0.001	0.010	40.459	0.002	0.002	0.000	0.000	0.000	0.000
574	A	634	TYR	0	-0.013	-0.013	34.786	-0.008	-0.008	0.000	0.000	0.000	0.000
575	A	635	ILE	0	0.008	-0.009	36.464	0.007	0.007	0.000	0.000	0.000	0.000
576	A	636	ASP	-1	-0.785	-0.873	30.845	-0.182	-0.182	0.000	0.000	0.000	0.000
577	A	637	LYS	1	0.851	0.918	28.762	0.164	0.164	0.000	0.000	0.000	0.000
578	A	638	ILE	0	-0.015	0.009	34.572	0.004	0.004	0.000	0.000	0.000	0.000
579	A	639	GLU	-1	-0.769	-0.856	35.417	-0.085	-0.085	0.000	0.000	0.000	0.000
580	A	640	PHE	0	-0.010	-0.011	38.003	0.003	0.003	0.000	0.000	0.000	0.000
581	A	641	ILE	0	0.010	-0.008	39.621	0.003	0.003	0.000	0.000	0.000	0.000
582	A	642	PRO	0	0.043	0.043	40.964	0.000	0.000	0.000	0.000	0.000	0.000
583	A	643	VAL	0	-0.043	-0.042	43.904	0.001	0.001	0.000	0.000	0.000	0.000
584	A	644	ASN	0	0.005	0.001	47.463	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:61:THR)