FMO DATABASE

FMODB ID: 8N5NY

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	584
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-13117282.705336
FMO2-HF: Nuclear repulsion	12887165.519518
FMO2-HF: Total energy	-230117.185818
FMO2-MP2: Total energy	-230799.148994

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.
-7.678	-7.839	7.39	-2.547	-4.683	0.01

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 : 0.004 / q_NPA : -0.032

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	0.894	0.922	2.386	-12.165	-12.663	7.392	-2.530	-4.364	0.010
4	A	64	ASP	-1	-0.867	-0.910	5.377	0.750	0.930	-0.001	-0.009	-0.171	0.000
5	A	65	VAL	0	0.063	0.027	7.020	-0.274	-0.274	0.000	0.000	0.000	0.000
6	A	66	ILE	0	-0.050	-0.013	6.785	-0.091	-0.091	0.000	0.000	0.000	0.000
7	A	67	GLN	0	-0.035	-0.017	9.282	0.116	0.116	0.000	0.000	0.000	0.000
8	A	68	LYS	1	0.868	0.944	11.207	-0.899	-0.899	0.000	0.000	0.000	0.000
9	A	69	GLY	0	-0.001	-0.005	12.555	-0.047	-0.047	0.000	0.000	0.000	0.000
10	A	70	ILE	0	-0.041	-0.030	11.630	-0.024	-0.024	0.000	0.000	0.000	0.000
11	A	71	SER	0	0.030	-0.006	14.921	0.007	0.007	0.000	0.000	0.000	0.000
12	A	72	VAL	0	-0.007	0.014	17.157	-0.017	-0.017	0.000	0.000	0.000	0.000
13	A	73	VAL	0	0.006	0.003	18.291	-0.012	-0.012	0.000	0.000	0.000	0.000
14	A	74	GLY	0	-0.001	-0.006	19.211	-0.008	-0.008	0.000	0.000	0.000	0.000
15	A	75	ASP	-1	-0.833	-0.916	20.909	0.198	0.198	0.000	0.000	0.000	0.000
16	A	76	LEU	0	-0.054	-0.033	22.030	-0.012	-0.012	0.000	0.000	0.000	0.000
17	A	77	LEU	0	-0.072	-0.033	22.353	-0.011	-0.011	0.000	0.000	0.000	0.000
18	A	78	GLY	0	-0.023	0.005	25.705	-0.004	-0.004	0.000	0.000	0.000	0.000
19	A	79	VAL	0	-0.107	-0.056	27.259	0.001	0.001	0.000	0.000	0.000	0.000
20	A	80	VAL	0	0.013	0.014	27.864	-0.009	-0.009	0.000	0.000	0.000	0.000
21	A	81	GLY	0	0.010	0.002	30.250	0.002	0.002	0.000	0.000	0.000	0.000
22	A	82	PHE	0	-0.045	-0.024	33.882	0.003	0.003	0.000	0.000	0.000	0.000
23	A	83	PRO	0	-0.013	0.015	32.808	0.003	0.003	0.000	0.000	0.000	0.000
24	A	84	PHE	0	0.044	0.004	34.811	-0.001	-0.001	0.000	0.000	0.000	0.000
25	A	85	GLY	0	0.052	0.008	35.087	0.006	0.006	0.000	0.000	0.000	0.000
26	A	86	GLY	0	-0.008	-0.004	35.005	0.004	0.004	0.000	0.000	0.000	0.000
27	A	87	ALA	0	0.039	0.029	31.671	0.011	0.011	0.000	0.000	0.000	0.000
28	A	88	LEU	0	-0.015	0.005	30.385	0.009	0.009	0.000	0.000	0.000	0.000
29	A	89	VAL	0	0.023	0.004	30.234	0.005	0.005	0.000	0.000	0.000	0.000
30	A	90	SER	0	-0.019	-0.023	28.964	0.012	0.012	0.000	0.000	0.000	0.000
31	A	91	PHE	0	0.044	0.031	23.621	0.019	0.019	0.000	0.000	0.000	0.000
32	A	92	TYR	0	-0.021	-0.047	25.311	0.014	0.014	0.000	0.000	0.000	0.000
33	A	93	THR	0	-0.066	-0.033	25.807	0.014	0.014	0.000	0.000	0.000	0.000
34	A	94	ASN	0	0.040	0.026	22.054	0.031	0.031	0.000	0.000	0.000	0.000
35	A	95	PHE	0	-0.025	-0.011	21.196	0.030	0.030	0.000	0.000	0.000	0.000
36	A	96	LEU	0	0.006	-0.019	21.117	0.010	0.010	0.000	0.000	0.000	0.000
37	A	97	ASN	0	-0.041	-0.022	20.370	0.029	0.029	0.000	0.000	0.000	0.000
38	A	98	THR	0	-0.061	-0.027	15.968	0.065	0.065	0.000	0.000	0.000	0.000
39	A	99	ILE	0	-0.044	-0.035	16.189	0.037	0.037	0.000	0.000	0.000	0.000
40	A	100	TRP	0	-0.083	-0.041	18.361	-0.016	-0.016	0.000	0.000	0.000	0.000
41	A	101	PRO	0	0.047	0.056	17.659	-0.013	-0.013	0.000	0.000	0.000	0.000
42	A	102	SER	0	0.001	-0.023	17.193	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	103	GLU	-1	-0.781	-0.904	17.730	0.112	0.112	0.000	0.000	0.000	0.000
44	A	104	ASP	-1	-0.910	-0.928	13.187	0.493	0.493	0.000	0.000	0.000	0.000
45	A	105	PRO	0	0.038	0.012	12.571	0.044	0.044	0.000	0.000	0.000	0.000
46	A	106	TRP	0	0.039	0.017	12.739	-0.088	-0.088	0.000	0.000	0.000	0.000
47	A	107	LYS	1	0.876	0.938	11.408	-0.573	-0.573	0.000	0.000	0.000	0.000
48	A	108	ALA	0	0.017	0.009	8.570	-0.102	-0.102	0.000	0.000	0.000	0.000
49	A	109	PHE	0	-0.007	-0.007	9.063	-0.195	-0.195	0.000	0.000	0.000	0.000
50	A	110	MET	0	-0.042	-0.014	11.109	-0.183	-0.183	0.000	0.000	0.000	0.000
51	A	111	GLU	-1	-0.923	-0.973	7.459	0.020	0.020	0.000	0.000	0.000	0.000
52	A	112	GLN	0	-0.047	-0.026	6.331	-0.137	-0.137	0.000	0.000	0.000	0.000
53	A	113	VAL	0	-0.014	-0.014	7.268	-0.464	-0.464	0.000	0.000	0.000	0.000
54	A	114	GLU	-1	-0.802	-0.884	10.026	-0.576	-0.576	0.000	0.000	0.000	0.000
55	A	115	ALA	0	-0.018	-0.005	5.107	-0.070	-0.070	0.000	0.000	0.000	0.000
56	A	116	LEU	0	-0.080	-0.030	6.811	-0.004	-0.004	0.000	0.000	0.000	0.000
57	A	117	MET	0	-0.055	-0.009	8.550	0.221	0.221	0.000	0.000	0.000	0.000
58	A	118	ASP	-1	-0.924	-0.946	10.386	-1.034	-1.034	0.000	0.000	0.000	0.000
59	A	119	GLN	0	-0.041	-0.017	11.512	0.196	0.196	0.000	0.000	0.000	0.000
60	A	120	LYS	1	0.977	0.979	11.923	0.507	0.507	0.000	0.000	0.000	0.000
61	A	121	ILE	0	-0.003	-0.009	14.973	0.042	0.042	0.000	0.000	0.000	0.000
62	A	122	ALA	0	-0.034	-0.002	17.209	0.019	0.019	0.000	0.000	0.000	0.000
63	A	123	ASP	-1	-0.853	-0.941	18.430	-0.173	-0.173	0.000	0.000	0.000	0.000
64	A	124	TYR	0	-0.022	-0.017	20.106	0.026	0.026	0.000	0.000	0.000	0.000
65	A	125	ALA	0	-0.019	-0.004	21.100	0.020	0.020	0.000	0.000	0.000	0.000
66	A	126	LYS	1	0.882	0.932	12.454	0.335	0.335	0.000	0.000	0.000	0.000
67	A	127	ASN	0	0.019	-0.002	18.970	0.038	0.038	0.000	0.000	0.000	0.000
68	A	128	LYS	1	0.874	0.942	21.290	0.124	0.124	0.000	0.000	0.000	0.000
69	A	129	ALA	0	-0.005	0.004	19.786	0.015	0.015	0.000	0.000	0.000	0.000
70	A	130	LEU	0	0.046	0.005	16.376	0.012	0.012	0.000	0.000	0.000	0.000
71	A	131	ALA	0	-0.017	0.004	20.532	0.022	0.022	0.000	0.000	0.000	0.000
72	A	132	GLU	-1	-0.848	-0.876	24.278	-0.034	-0.034	0.000	0.000	0.000	0.000
73	A	133	LEU	0	-0.005	-0.008	19.012	0.003	0.003	0.000	0.000	0.000	0.000
74	A	134	GLN	0	0.010	0.011	22.640	0.016	0.016	0.000	0.000	0.000	0.000
75	A	135	GLY	0	-0.011	0.005	24.251	0.010	0.010	0.000	0.000	0.000	0.000
76	A	136	LEU	0	-0.032	-0.021	24.721	0.002	0.002	0.000	0.000	0.000	0.000
77	A	137	GLN	0	-0.028	-0.023	22.466	-0.001	-0.001	0.000	0.000	0.000	0.000
78	A	138	ASN	0	-0.039	-0.020	25.392	0.006	0.006	0.000	0.000	0.000	0.000
79	A	139	ASN	0	-0.027	-0.016	28.787	-0.007	-0.007	0.000	0.000	0.000	0.000
80	A	140	VAL	0	0.003	-0.003	25.851	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	141	GLU	-1	-0.864	-0.929	25.609	0.167	0.167	0.000	0.000	0.000	0.000
82	A	142	ASP	-1	-0.923	-0.961	29.209	0.084	0.084	0.000	0.000	0.000	0.000
83	A	143	TYR	0	-0.073	-0.062	31.271	-0.004	-0.004	0.000	0.000	0.000	0.000
84	A	144	VAL	0	0.052	0.026	28.516	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	145	SER	0	-0.035	-0.005	31.791	0.000	0.000	0.000	0.000	0.000	0.000
86	A	146	ALA	0	-0.017	-0.012	33.733	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	147	LEU	0	0.009	0.007	32.742	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	148	SER	0	-0.020	-0.015	33.429	-0.003	-0.003	0.000	0.000	0.000	0.000
89	A	149	SER	0	-0.094	-0.057	35.451	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	150	TRP	0	-0.045	-0.039	38.863	-0.002	-0.002	0.000	0.000	0.000	0.000
91	A	151	GLN	0	0.017	0.025	36.848	-0.008	-0.008	0.000	0.000	0.000	0.000
92	A	152	LYS	1	0.942	0.985	38.359	-0.103	-0.103	0.000	0.000	0.000	0.000
93	A	153	ASN	0	-0.047	-0.026	40.472	0.002	0.002	0.000	0.000	0.000	0.000
94	A	154	PRO	0	0.049	0.025	43.765	-0.003	-0.003	0.000	0.000	0.000	0.000
95	A	155	VAL	0	0.016	0.007	46.899	-0.001	-0.001	0.000	0.000	0.000	0.000
96	A	156	SER	0	-0.021	-0.014	48.648	-0.002	-0.002	0.000	0.000	0.000	0.000
97	A	157	SER	0	-0.036	-0.028	47.242	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	158	ARG	1	0.848	0.937	43.257	-0.047	-0.047	0.000	0.000	0.000	0.000
99	A	159	ASN	0	0.026	0.018	48.470	-0.004	-0.004	0.000	0.000	0.000	0.000
100	A	160	PRO	0	0.071	0.012	49.028	0.001	0.001	0.000	0.000	0.000	0.000
101	A	161	HIS	0	-0.006	0.001	47.639	-0.003	-0.003	0.000	0.000	0.000	0.000
102	A	162	SER	0	-0.021	-0.007	44.913	0.000	0.000	0.000	0.000	0.000	0.000
103	A	163	GLN	0	-0.021	-0.023	44.164	0.001	0.001	0.000	0.000	0.000	0.000
104	A	164	GLY	0	0.024	0.013	44.214	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	165	ARG	1	0.999	1.014	38.262	-0.068	-0.068	0.000	0.000	0.000	0.000
106	A	166	ILE	0	-0.012	-0.006	38.099	0.001	0.001	0.000	0.000	0.000	0.000
107	A	167	ARG	1	0.904	0.951	39.343	-0.021	-0.021	0.000	0.000	0.000	0.000
108	A	168	GLU	-1	-0.964	-0.965	40.293	0.029	0.029	0.000	0.000	0.000	0.000
109	A	169	LEU	0	-0.004	-0.004	35.783	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	170	PHE	0	0.004	0.012	34.775	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	171	SER	0	-0.035	-0.046	35.546	-0.006	-0.006	0.000	0.000	0.000	0.000
112	A	172	GLN	0	-0.044	-0.006	35.277	-0.011	-0.011	0.000	0.000	0.000	0.000
113	A	173	ALA	0	0.075	0.045	31.216	-0.006	-0.006	0.000	0.000	0.000	0.000
114	A	174	GLU	-1	-0.721	-0.835	31.578	-0.030	-0.030	0.000	0.000	0.000	0.000
115	A	175	SER	0	-0.007	-0.020	32.604	-0.012	-0.012	0.000	0.000	0.000	0.000
116	A	176	HIS	0	-0.027	-0.011	28.595	0.000	0.000	0.000	0.000	0.000	0.000
117	A	177	PHE	0	0.034	0.009	24.763	-0.009	-0.009	0.000	0.000	0.000	0.000
118	A	178	ARG	1	0.765	0.869	28.801	0.013	0.013	0.000	0.000	0.000	0.000
119	A	179	ASN	0	-0.053	-0.019	31.112	-0.010	-0.010	0.000	0.000	0.000	0.000
120	A	180	SER	0	0.025	-0.018	26.465	-0.004	-0.004	0.000	0.000	0.000	0.000
121	A	181	MET	0	-0.028	0.006	23.393	-0.010	-0.010	0.000	0.000	0.000	0.000
122	A	182	PRO	0	-0.012	0.000	25.160	-0.020	-0.020	0.000	0.000	0.000	0.000
123	A	183	SER	0	-0.057	-0.059	24.461	-0.023	-0.023	0.000	0.000	0.000	0.000
124	A	184	PHE	0	-0.052	-0.019	20.571	-0.014	-0.014	0.000	0.000	0.000	0.000
125	A	185	ALA	0	-0.012	-0.020	21.247	-0.030	-0.030	0.000	0.000	0.000	0.000
126	A	186	ILE	0	-0.046	0.000	23.155	0.005	0.005	0.000	0.000	0.000	0.000
127	A	187	SER	0	-0.001	-0.005	23.388	-0.024	-0.024	0.000	0.000	0.000	0.000
128	A	188	GLY	0	-0.009	-0.003	23.295	0.007	0.007	0.000	0.000	0.000	0.000
129	A	189	TYR	0	-0.028	-0.026	18.638	-0.036	-0.036	0.000	0.000	0.000	0.000
130	A	190	GLU	-1	-0.836	-0.920	18.913	-0.302	-0.302	0.000	0.000	0.000	0.000
131	A	191	VAL	0	-0.019	-0.021	15.207	-0.004	-0.004	0.000	0.000	0.000	0.000
132	A	192	LEU	0	0.004	0.004	13.210	-0.040	-0.040	0.000	0.000	0.000	0.000
133	A	193	PHE	0	0.019	0.006	14.371	-0.013	-0.013	0.000	0.000	0.000	0.000
134	A	194	LEU	0	-0.032	-0.002	15.535	0.049	0.049	0.000	0.000	0.000	0.000
135	A	195	THR	0	0.051	0.023	11.441	0.070	0.070	0.000	0.000	0.000	0.000
136	A	196	THR	0	0.012	0.015	14.787	0.083	0.083	0.000	0.000	0.000	0.000
137	A	197	TYR	0	0.039	0.008	16.840	0.047	0.047	0.000	0.000	0.000	0.000
138	A	198	ALA	0	0.001	-0.005	17.379	0.031	0.031	0.000	0.000	0.000	0.000
139	A	199	GLN	0	0.033	0.019	16.007	0.063	0.063	0.000	0.000	0.000	0.000
140	A	200	ALA	0	0.017	0.016	19.183	0.033	0.033	0.000	0.000	0.000	0.000
141	A	201	ALA	0	-0.015	-0.016	22.088	0.016	0.016	0.000	0.000	0.000	0.000
142	A	202	ASN	0	0.061	0.032	21.687	0.006	0.006	0.000	0.000	0.000	0.000
143	A	203	THR	0	-0.021	0.005	22.620	0.021	0.021	0.000	0.000	0.000	0.000
144	A	204	HIS	0	-0.015	0.005	25.094	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	205	LEU	0	0.010	-0.005	26.900	0.006	0.006	0.000	0.000	0.000	0.000
146	A	206	PHE	0	0.034	0.021	26.928	0.006	0.006	0.000	0.000	0.000	0.000
147	A	207	LEU	0	0.023	0.032	28.911	0.007	0.007	0.000	0.000	0.000	0.000
148	A	208	LEU	0	-0.012	-0.021	30.853	0.002	0.002	0.000	0.000	0.000	0.000
149	A	209	LYS	1	0.787	0.897	30.818	-0.028	-0.028	0.000	0.000	0.000	0.000
150	A	210	ASP	-1	-0.720	-0.809	33.067	0.043	0.043	0.000	0.000	0.000	0.000
151	A	211	ALA	0	-0.009	0.004	35.733	0.002	0.002	0.000	0.000	0.000	0.000
152	A	212	GLN	0	-0.073	-0.051	37.862	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	213	ILE	0	-0.052	0.000	35.624	0.000	0.000	0.000	0.000	0.000	0.000
154	A	214	TYR	0	-0.020	-0.040	36.227	0.002	0.002	0.000	0.000	0.000	0.000
155	A	215	GLY	0	0.040	0.030	41.296	0.001	0.001	0.000	0.000	0.000	0.000
156	A	216	GLU	-1	-0.941	-0.982	42.786	0.011	0.011	0.000	0.000	0.000	0.000
157	A	217	GLU	-1	-0.825	-0.881	43.218	0.041	0.041	0.000	0.000	0.000	0.000
158	A	218	TRP	0	-0.006	-0.015	36.982	0.001	0.001	0.000	0.000	0.000	0.000
159	A	219	GLY	0	-0.007	0.004	44.728	0.000	0.000	0.000	0.000	0.000	0.000
160	A	220	TYR	0	-0.078	-0.048	40.474	0.001	0.001	0.000	0.000	0.000	0.000
161	A	221	GLU	-1	-0.903	-0.936	46.194	0.006	0.006	0.000	0.000	0.000	0.000
162	A	222	LYS	1	0.926	0.945	46.815	0.002	0.002	0.000	0.000	0.000	0.000
163	A	223	GLU	-1	-0.906	-0.966	46.821	-0.007	-0.007	0.000	0.000	0.000	0.000
164	A	224	ASP	-1	-0.787	-0.890	43.689	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	225	ILE	0	-0.017	-0.002	42.138	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	226	ALA	0	0.000	0.000	41.692	-0.003	-0.003	0.000	0.000	0.000	0.000
167	A	227	GLU	-1	-0.894	-0.925	41.247	-0.024	-0.024	0.000	0.000	0.000	0.000
168	A	228	PHE	0	0.023	0.000	37.323	-0.005	-0.005	0.000	0.000	0.000	0.000
169	A	229	TYR	0	-0.066	-0.048	37.434	-0.004	-0.004	0.000	0.000	0.000	0.000
170	A	230	LYS	1	0.946	0.961	37.848	0.032	0.032	0.000	0.000	0.000	0.000
171	A	231	ARG	1	0.777	0.885	34.862	0.019	0.019	0.000	0.000	0.000	0.000
172	A	232	GLN	0	0.038	0.014	32.874	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	233	LEU	0	-0.024	0.001	33.231	-0.008	-0.008	0.000	0.000	0.000	0.000
174	A	234	LYS	1	0.791	0.875	33.497	0.071	0.071	0.000	0.000	0.000	0.000
175	A	235	LEU	0	-0.013	-0.007	30.322	-0.009	-0.009	0.000	0.000	0.000	0.000
176	A	236	THR	0	0.008	0.006	29.429	-0.009	-0.009	0.000	0.000	0.000	0.000
177	A	237	GLN	0	-0.056	-0.022	29.106	-0.006	-0.006	0.000	0.000	0.000	0.000
178	A	238	GLU	-1	-0.822	-0.889	29.480	-0.106	-0.106	0.000	0.000	0.000	0.000
179	A	239	TYR	0	0.008	-0.027	25.216	-0.021	-0.021	0.000	0.000	0.000	0.000
180	A	240	THR	0	0.011	-0.001	24.596	-0.023	-0.023	0.000	0.000	0.000	0.000
181	A	241	ASP	-1	-0.770	-0.898	24.870	-0.173	-0.173	0.000	0.000	0.000	0.000
182	A	242	HIS	0	-0.049	-0.015	21.748	-0.013	-0.013	0.000	0.000	0.000	0.000
183	A	243	CYS	0	-0.030	-0.025	20.624	-0.030	-0.030	0.000	0.000	0.000	0.000
184	A	244	VAL	0	0.035	0.021	20.755	-0.045	-0.045	0.000	0.000	0.000	0.000
185	A	245	LYS	1	0.857	0.945	22.376	0.222	0.222	0.000	0.000	0.000	0.000
186	A	246	TRP	0	0.063	0.006	20.033	-0.025	-0.025	0.000	0.000	0.000	0.000
187	A	247	TYR	0	0.050	0.044	15.834	-0.029	-0.029	0.000	0.000	0.000	0.000
188	A	248	ASN	0	0.021	0.001	18.296	-0.076	-0.076	0.000	0.000	0.000	0.000
189	A	249	VAL	0	-0.029	0.005	20.467	-0.014	-0.014	0.000	0.000	0.000	0.000
190	A	250	GLY	0	0.011	0.002	16.667	-0.014	-0.014	0.000	0.000	0.000	0.000
191	A	251	LEU	0	-0.019	-0.014	16.642	-0.053	-0.053	0.000	0.000	0.000	0.000
192	A	252	ASP	-1	-0.842	-0.933	17.728	-0.412	-0.412	0.000	0.000	0.000	0.000
193	A	253	LYS	1	0.786	0.885	17.109	0.580	0.580	0.000	0.000	0.000	0.000
194	A	254	LEU	0	-0.002	0.000	12.856	-0.019	-0.019	0.000	0.000	0.000	0.000
195	A	255	ARG	1	0.804	0.919	16.747	0.389	0.389	0.000	0.000	0.000	0.000
196	A	256	GLY	0	0.055	0.024	19.449	0.009	0.009	0.000	0.000	0.000	0.000
197	A	257	SER	0	-0.028	-0.022	20.249	0.014	0.014	0.000	0.000	0.000	0.000
198	A	258	SER	0	-0.025	-0.034	17.464	0.013	0.013	0.000	0.000	0.000	0.000
199	A	259	TYR	0	0.060	0.036	13.693	-0.006	-0.006	0.000	0.000	0.000	0.000
200	A	260	GLU	-1	-0.833	-0.925	13.658	-0.683	-0.683	0.000	0.000	0.000	0.000
201	A	261	SER	0	-0.025	-0.011	13.242	-0.112	-0.112	0.000	0.000	0.000	0.000
202	A	262	TRP	0	0.009	-0.017	14.651	-0.089	-0.089	0.000	0.000	0.000	0.000
203	A	263	VAL	0	-0.020	0.001	9.555	-0.036	-0.036	0.000	0.000	0.000	0.000
204	A	264	ASN	0	0.026	0.012	9.502	-0.358	-0.358	0.000	0.000	0.000	0.000
205	A	265	PHE	0	-0.007	0.006	11.073	-0.063	-0.063	0.000	0.000	0.000	0.000
206	A	266	ASN	0	-0.003	-0.019	12.733	0.096	0.096	0.000	0.000	0.000	0.000
207	A	267	ARG	1	0.881	0.942	5.229	2.958	2.958	0.000	0.000	0.000	0.000
208	A	268	TYR	0	0.010	-0.002	9.647	-0.012	-0.012	0.000	0.000	0.000	0.000
209	A	269	ARG	1	0.813	0.885	10.984	0.660	0.660	0.000	0.000	0.000	0.000
210	A	270	ARG	1	0.809	0.892	7.628	1.518	1.518	0.000	0.000	0.000	0.000
211	A	271	GLU	-1	-0.778	-0.904	5.581	-3.116	-3.116	0.000	0.000	0.000	0.000
212	A	272	MET	0	-0.004	0.008	10.284	0.156	0.156	0.000	0.000	0.000	0.000
213	A	273	THR	0	-0.049	-0.034	13.332	0.139	0.139	0.000	0.000	0.000	0.000
214	A	274	LEU	0	-0.033	-0.009	10.657	0.070	0.070	0.000	0.000	0.000	0.000
215	A	275	THR	0	-0.011	-0.021	10.876	0.098	0.098	0.000	0.000	0.000	0.000
216	A	276	VAL	0	-0.040	-0.019	14.012	0.062	0.062	0.000	0.000	0.000	0.000
217	A	277	LEU	0	-0.063	-0.038	16.823	0.055	0.055	0.000	0.000	0.000	0.000
218	A	278	ASP	-1	-0.745	-0.847	17.552	-0.180	-0.180	0.000	0.000	0.000	0.000
219	A	279	LEU	0	-0.006	0.005	18.427	0.035	0.035	0.000	0.000	0.000	0.000
220	A	280	ILE	0	-0.039	-0.021	20.655	0.021	0.021	0.000	0.000	0.000	0.000
221	A	281	ALA	0	-0.043	-0.008	22.782	0.012	0.012	0.000	0.000	0.000	0.000
222	A	282	LEU	0	-0.005	-0.009	23.200	0.015	0.015	0.000	0.000	0.000	0.000
223	A	283	PHE	0	0.000	0.008	22.894	0.009	0.009	0.000	0.000	0.000	0.000
224	A	284	PRO	0	0.021	0.010	27.685	0.010	0.010	0.000	0.000	0.000	0.000
225	A	285	LEU	0	-0.028	-0.008	29.003	0.007	0.007	0.000	0.000	0.000	0.000
226	A	286	TYR	0	0.004	-0.015	24.654	0.013	0.013	0.000	0.000	0.000	0.000
227	A	287	ASP	-1	-0.762	-0.859	31.694	-0.020	-0.020	0.000	0.000	0.000	0.000
228	A	288	VAL	0	0.032	0.001	35.159	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	289	ARG	1	0.859	0.924	37.269	0.008	0.008	0.000	0.000	0.000	0.000
230	A	290	LEU	0	-0.043	0.000	37.258	0.001	0.001	0.000	0.000	0.000	0.000
231	A	291	TYR	0	-0.062	-0.065	34.937	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	292	PRO	0	0.009	0.009	37.523	0.004	0.004	0.000	0.000	0.000	0.000
233	A	293	LYS	1	0.891	0.944	38.664	-0.004	-0.004	0.000	0.000	0.000	0.000
234	A	294	GLU	-1	-0.835	-0.899	34.319	0.047	0.047	0.000	0.000	0.000	0.000
235	A	295	VAL	0	-0.029	-0.019	31.902	-0.004	-0.004	0.000	0.000	0.000	0.000
236	A	296	LYS	1	0.814	0.912	31.507	-0.004	-0.004	0.000	0.000	0.000	0.000
237	A	297	THR	0	-0.011	-0.042	27.469	-0.011	-0.011	0.000	0.000	0.000	0.000
238	A	298	GLU	-1	-0.767	-0.866	25.921	-0.026	-0.026	0.000	0.000	0.000	0.000
239	A	299	LEU	0	-0.003	0.014	20.488	-0.017	-0.017	0.000	0.000	0.000	0.000
240	A	300	THR	0	-0.014	-0.021	23.200	-0.002	-0.002	0.000	0.000	0.000	0.000
241	A	301	ARG	1	0.724	0.822	16.489	0.198	0.198	0.000	0.000	0.000	0.000
242	A	302	ASP	-1	-0.826	-0.893	19.739	-0.183	-0.183	0.000	0.000	0.000	0.000
243	A	303	VAL	0	-0.015	-0.006	14.198	-0.050	-0.050	0.000	0.000	0.000	0.000
244	A	304	LEU	0	-0.010	0.001	14.849	0.063	0.063	0.000	0.000	0.000	0.000
245	A	305	THR	0	0.053	0.043	10.574	-0.111	-0.111	0.000	0.000	0.000	0.000
246	A	306	ASP	-1	-0.792	-0.889	7.390	-2.181	-2.181	0.000	0.000	0.000	0.000
247	A	307	PRO	0	-0.025	-0.019	10.486	0.167	0.167	0.000	0.000	0.000	0.000
248	A	308	ILE	0	-0.020	0.010	12.061	-0.063	-0.063	0.000	0.000	0.000	0.000
249	A	309	VAL	0	-0.021	-0.025	12.823	0.041	0.041	0.000	0.000	0.000	0.000
250	A	310	GLY	0	0.039	0.020	13.429	0.008	0.008	0.000	0.000	0.000	0.000
251	A	311	VAL	0	-0.031	-0.015	15.103	0.028	0.028	0.000	0.000	0.000	0.000
252	A	312	ASN	0	0.035	0.013	10.542	-0.131	-0.131	0.000	0.000	0.000	0.000
253	A	313	ASN	0	0.011	0.005	12.800	-0.076	-0.076	0.000	0.000	0.000	0.000
254	A	314	LEU	0	0.051	0.023	15.537	0.073	0.073	0.000	0.000	0.000	0.000
255	A	315	ARG	1	0.935	0.957	18.270	0.317	0.317	0.000	0.000	0.000	0.000
256	A	316	GLY	0	0.042	0.029	19.961	0.035	0.035	0.000	0.000	0.000	0.000
257	A	317	TYR	0	-0.044	-0.029	21.618	0.021	0.021	0.000	0.000	0.000	0.000
258	A	318	GLY	0	0.047	0.038	18.777	0.019	0.019	0.000	0.000	0.000	0.000
259	A	319	THR	0	-0.029	-0.032	19.735	0.008	0.008	0.000	0.000	0.000	0.000
260	A	320	THR	0	0.041	0.011	19.983	-0.044	-0.044	0.000	0.000	0.000	0.000
261	A	321	PHE	0	0.062	0.036	17.620	0.015	0.015	0.000	0.000	0.000	0.000
262	A	322	SER	0	-0.001	-0.010	20.703	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	323	ASN	0	-0.017	-0.018	23.833	0.026	0.026	0.000	0.000	0.000	0.000
264	A	324	ILE	0	0.024	0.029	17.790	0.020	0.020	0.000	0.000	0.000	0.000
265	A	325	GLU	-1	-0.737	-0.844	19.922	-0.441	-0.441	0.000	0.000	0.000	0.000
266	A	326	ASN	0	-0.072	-0.030	21.836	0.023	0.023	0.000	0.000	0.000	0.000
267	A	327	TYR	0	-0.067	-0.035	24.247	0.038	0.038	0.000	0.000	0.000	0.000
268	A	328	ILE	0	0.033	0.038	19.581	0.019	0.019	0.000	0.000	0.000	0.000
269	A	329	ARG	1	0.738	0.820	22.953	0.156	0.156	0.000	0.000	0.000	0.000
270	A	330	LYS	1	0.896	0.949	24.176	0.206	0.206	0.000	0.000	0.000	0.000
271	A	331	PRO	0	0.020	0.005	26.588	0.009	0.009	0.000	0.000	0.000	0.000
272	A	332	HIS	1	0.790	0.888	24.321	0.163	0.163	0.000	0.000	0.000	0.000
273	A	333	LEU	0	0.012	0.007	28.864	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	334	PHE	0	-0.005	-0.003	24.294	-0.006	-0.006	0.000	0.000	0.000	0.000
275	A	335	ASP	-1	-0.780	-0.830	26.949	-0.096	-0.096	0.000	0.000	0.000	0.000
276	A	336	TYR	0	0.037	0.003	26.295	-0.003	-0.003	0.000	0.000	0.000	0.000
277	A	337	LEU	0	0.014	0.020	23.319	-0.004	-0.004	0.000	0.000	0.000	0.000
278	A	338	HIS	0	-0.042	-0.024	26.124	0.009	0.009	0.000	0.000	0.000	0.000
279	A	339	ARG	1	0.868	0.905	28.801	0.026	0.026	0.000	0.000	0.000	0.000
280	A	340	ILE	0	-0.002	0.018	23.217	-0.016	-0.016	0.000	0.000	0.000	0.000
281	A	341	GLN	0	0.005	0.012	27.511	0.006	0.006	0.000	0.000	0.000	0.000
282	A	342	PHE	0	0.012	-0.012	22.455	-0.014	-0.014	0.000	0.000	0.000	0.000
283	A	343	HIS	0	-0.030	-0.029	27.466	0.003	0.003	0.000	0.000	0.000	0.000
284	A	344	THR	0	0.040	0.031	27.396	-0.004	-0.004	0.000	0.000	0.000	0.000
285	A	345	ARG	1	0.891	0.952	28.340	0.091	0.091	0.000	0.000	0.000	0.000
286	A	346	PHE	0	0.023	0.017	28.763	0.004	0.004	0.000	0.000	0.000	0.000
287	A	347	GLN	0	-0.048	-0.024	26.217	-0.019	-0.019	0.000	0.000	0.000	0.000
288	A	348	PRO	0	0.009	0.008	29.137	0.009	0.009	0.000	0.000	0.000	0.000
289	A	349	GLY	0	0.060	0.028	29.545	-0.012	-0.012	0.000	0.000	0.000	0.000
290	A	350	TYR	0	-0.028	-0.019	30.415	0.001	0.001	0.000	0.000	0.000	0.000
291	A	351	TYR	0	0.020	0.002	31.700	0.002	0.002	0.000	0.000	0.000	0.000
292	A	352	GLY	0	0.018	0.028	33.369	0.008	0.008	0.000	0.000	0.000	0.000
293	A	353	ASN	0	-0.072	-0.046	31.391	0.004	0.004	0.000	0.000	0.000	0.000
294	A	354	ASP	-1	-0.810	-0.900	27.591	-0.029	-0.029	0.000	0.000	0.000	0.000
295	A	355	SER	0	-0.058	-0.039	27.491	-0.013	-0.013	0.000	0.000	0.000	0.000
296	A	356	PHE	0	-0.035	-0.018	23.211	0.013	0.013	0.000	0.000	0.000	0.000
297	A	357	ASN	0	-0.010	0.015	27.004	-0.017	-0.017	0.000	0.000	0.000	0.000
298	A	358	TYR	0	-0.045	-0.029	23.315	0.003	0.003	0.000	0.000	0.000	0.000
299	A	359	TRP	0	0.043	0.012	19.086	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	360	SER	0	-0.010	-0.027	23.628	-0.018	-0.018	0.000	0.000	0.000	0.000
301	A	361	GLY	0	0.053	0.020	26.066	-0.020	-0.020	0.000	0.000	0.000	0.000
302	A	362	ASN	0	-0.026	-0.014	24.641	0.000	0.000	0.000	0.000	0.000	0.000
303	A	363	TYR	0	0.003	0.012	27.284	-0.009	-0.009	0.000	0.000	0.000	0.000
304	A	364	VAL	0	0.015	0.014	24.676	0.007	0.007	0.000	0.000	0.000	0.000
305	A	365	SER	0	-0.017	-0.014	27.986	-0.003	-0.003	0.000	0.000	0.000	0.000
306	A	366	THR	0	-0.005	-0.018	26.924	0.007	0.007	0.000	0.000	0.000	0.000
307	A	367	ARG	1	0.838	0.912	29.719	0.021	0.021	0.000	0.000	0.000	0.000
308	A	368	PRO	0	0.074	0.033	30.880	-0.004	-0.004	0.000	0.000	0.000	0.000
309	A	369	SER	0	0.003	-0.006	32.355	0.010	0.010	0.000	0.000	0.000	0.000
310	A	370	ILE	0	-0.011	0.007	33.173	0.000	0.000	0.000	0.000	0.000	0.000
311	A	371	GLY	0	0.022	0.000	35.902	-0.004	-0.004	0.000	0.000	0.000	0.000
312	A	372	SER	0	-0.079	-0.031	37.543	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	373	ASN	0	0.028	-0.007	37.286	0.002	0.002	0.000	0.000	0.000	0.000
314	A	374	ASP	-1	-0.911	-0.924	38.069	-0.040	-0.040	0.000	0.000	0.000	0.000
315	A	375	ILE	0	-0.019	-0.015	33.362	-0.004	-0.004	0.000	0.000	0.000	0.000
316	A	376	ILE	0	0.016	0.023	32.099	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	377	THR	0	-0.024	-0.020	32.074	0.002	0.002	0.000	0.000	0.000	0.000
318	A	378	SER	0	-0.005	0.011	29.042	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	379	PRO	0	0.007	-0.006	30.075	0.008	0.008	0.000	0.000	0.000	0.000
320	A	380	PHE	0	-0.003	-0.010	30.257	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	381	TYR	0	0.055	0.045	25.752	-0.010	-0.010	0.000	0.000	0.000	0.000
322	A	382	GLY	0	0.067	0.038	26.771	0.007	0.007	0.000	0.000	0.000	0.000
323	A	383	ASN	0	-0.021	-0.039	27.487	0.016	0.016	0.000	0.000	0.000	0.000
324	A	384	LYS	1	0.871	0.968	29.905	0.086	0.086	0.000	0.000	0.000	0.000
325	A	385	SER	0	0.017	-0.009	31.773	-0.004	-0.004	0.000	0.000	0.000	0.000
326	A	386	SER	0	-0.066	-0.043	32.615	-0.002	-0.002	0.000	0.000	0.000	0.000
327	A	387	GLU	-1	-0.821	-0.891	31.256	-0.021	-0.021	0.000	0.000	0.000	0.000
328	A	388	PRO	0	-0.008	0.011	34.000	-0.005	-0.005	0.000	0.000	0.000	0.000
329	A	389	VAL	0	-0.026	-0.004	32.059	0.002	0.002	0.000	0.000	0.000	0.000
330	A	390	GLN	0	-0.005	-0.007	28.359	0.014	0.014	0.000	0.000	0.000	0.000
331	A	391	ASN	0	-0.013	-0.006	29.830	-0.017	-0.017	0.000	0.000	0.000	0.000
332	A	392	LEU	0	0.031	0.038	25.054	0.007	0.007	0.000	0.000	0.000	0.000
333	A	393	GLU	-1	-0.801	-0.898	28.974	-0.007	-0.007	0.000	0.000	0.000	0.000
334	A	394	PHE	0	0.027	-0.004	24.425	0.006	0.006	0.000	0.000	0.000	0.000
335	A	395	ASN	0	-0.033	-0.013	28.734	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	396	GLY	0	0.026	0.011	30.811	0.004	0.004	0.000	0.000	0.000	0.000
337	A	397	GLU	-1	-0.841	-0.886	26.812	0.098	0.098	0.000	0.000	0.000	0.000
338	A	398	LYS	1	0.825	0.915	23.639	-0.079	-0.079	0.000	0.000	0.000	0.000
339	A	399	VAL	0	-0.032	-0.019	19.245	0.021	0.021	0.000	0.000	0.000	0.000
340	A	400	TYR	0	0.063	0.030	17.943	-0.026	-0.026	0.000	0.000	0.000	0.000
341	A	401	ARG	1	0.844	0.896	13.040	-0.616	-0.616	0.000	0.000	0.000	0.000
342	A	402	ALA	0	-0.007	-0.001	14.830	-0.048	-0.048	0.000	0.000	0.000	0.000
343	A	403	VAL	0	-0.004	0.011	13.555	0.030	0.030	0.000	0.000	0.000	0.000
344	A	404	ALA	0	-0.006	-0.008	14.111	-0.057	-0.057	0.000	0.000	0.000	0.000
345	A	405	ASN	0	-0.008	0.001	14.756	0.067	0.067	0.000	0.000	0.000	0.000
346	A	406	THR	0	0.008	0.021	15.174	-0.058	-0.058	0.000	0.000	0.000	0.000
347	A	407	ASN	0	-0.048	-0.025	17.562	0.029	0.029	0.000	0.000	0.000	0.000
348	A	408	LEU	0	0.009	-0.016	17.939	-0.042	-0.042	0.000	0.000	0.000	0.000
349	A	409	ALA	0	0.023	0.037	21.475	0.020	0.020	0.000	0.000	0.000	0.000
350	A	410	VAL	0	-0.008	-0.017	23.246	-0.023	-0.023	0.000	0.000	0.000	0.000
351	A	411	TRP	0	-0.021	-0.026	25.714	0.012	0.012	0.000	0.000	0.000	0.000
352	A	412	PRO	0	-0.016	-0.008	28.460	-0.010	-0.010	0.000	0.000	0.000	0.000
353	A	413	SER	0	-0.004	0.000	29.353	-0.004	-0.004	0.000	0.000	0.000	0.000
354	A	414	ALA	0	-0.073	-0.033	26.719	-0.014	-0.014	0.000	0.000	0.000	0.000
355	A	415	VAL	0	0.023	0.024	21.130	0.013	0.013	0.000	0.000	0.000	0.000
356	A	416	TYR	0	-0.012	0.005	23.849	-0.025	-0.025	0.000	0.000	0.000	0.000
357	A	417	SER	0	-0.016	-0.012	19.094	0.005	0.005	0.000	0.000	0.000	0.000
358	A	418	GLY	0	0.025	0.012	20.266	-0.024	-0.024	0.000	0.000	0.000	0.000
359	A	419	VAL	0	0.035	0.021	17.223	0.020	0.020	0.000	0.000	0.000	0.000
360	A	420	THR	0	-0.046	-0.046	19.605	-0.003	-0.003	0.000	0.000	0.000	0.000
361	A	421	LYS	1	0.893	0.940	20.125	-0.138	-0.138	0.000	0.000	0.000	0.000
362	A	422	VAL	0	-0.016	-0.004	17.766	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	423	GLU	-1	-0.914	-0.950	18.771	0.227	0.227	0.000	0.000	0.000	0.000
364	A	424	PHE	0	-0.012	-0.027	18.643	0.016	0.016	0.000	0.000	0.000	0.000
365	A	425	SER	0	0.014	0.009	19.262	0.017	0.017	0.000	0.000	0.000	0.000
366	A	426	GLN	0	-0.040	-0.020	20.936	-0.021	-0.021	0.000	0.000	0.000	0.000
367	A	427	TYR	0	-0.017	-0.052	23.672	0.023	0.023	0.000	0.000	0.000	0.000
368	A	428	ASN	0	0.040	0.016	25.620	-0.020	-0.020	0.000	0.000	0.000	0.000
369	A	429	ASP	-1	-0.788	-0.896	28.487	0.070	0.070	0.000	0.000	0.000	0.000
370	A	430	GLN	0	-0.128	-0.055	30.076	-0.007	-0.007	0.000	0.000	0.000	0.000
371	A	431	THR	0	-0.099	-0.082	33.226	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	432	ASP	-1	-0.853	-0.885	30.584	0.131	0.131	0.000	0.000	0.000	0.000
373	A	433	GLU	-1	-0.891	-0.908	29.880	0.119	0.119	0.000	0.000	0.000	0.000
374	A	434	ALA	0	-0.015	-0.010	24.474	-0.006	-0.006	0.000	0.000	0.000	0.000
375	A	435	SER	0	-0.034	-0.018	25.520	-0.004	-0.004	0.000	0.000	0.000	0.000
376	A	436	THR	0	0.004	-0.003	22.069	0.003	0.003	0.000	0.000	0.000	0.000
377	A	437	GLN	0	-0.048	-0.032	23.926	-0.021	-0.021	0.000	0.000	0.000	0.000
378	A	438	THR	0	-0.035	-0.019	23.234	0.010	0.010	0.000	0.000	0.000	0.000
379	A	439	TYR	0	-0.037	-0.018	22.540	-0.016	-0.016	0.000	0.000	0.000	0.000
380	A	440	ASP	-1	-0.801	-0.907	23.618	0.099	0.099	0.000	0.000	0.000	0.000
381	A	441	SER	0	0.031	0.025	24.998	-0.004	-0.004	0.000	0.000	0.000	0.000
382	A	442	LYS	1	0.839	0.910	26.774	-0.071	-0.071	0.000	0.000	0.000	0.000
383	A	443	ARG	1	0.854	0.921	27.980	0.014	0.014	0.000	0.000	0.000	0.000
384	A	444	ASN	0	-0.021	-0.024	25.365	0.006	0.006	0.000	0.000	0.000	0.000
385	A	445	VAL	0	0.095	0.041	21.698	-0.015	-0.015	0.000	0.000	0.000	0.000
386	A	446	GLY	0	0.043	0.062	20.397	-0.006	-0.006	0.000	0.000	0.000	0.000
387	A	447	ALA	0	0.016	0.000	16.742	0.021	0.021	0.000	0.000	0.000	0.000
388	A	448	VAL	0	0.007	-0.006	14.041	-0.055	-0.055	0.000	0.000	0.000	0.000
389	A	449	SER	0	-0.040	-0.038	11.539	0.060	0.060	0.000	0.000	0.000	0.000
390	A	450	TRP	0	-0.046	-0.019	9.906	0.055	0.055	0.000	0.000	0.000	0.000
391	A	451	ASP	-1	-0.711	-0.841	9.273	0.778	0.778	0.000	0.000	0.000	0.000
392	A	452	SER	0	0.059	0.030	8.796	0.110	0.110	0.000	0.000	0.000	0.000
393	A	453	ILE	0	-0.013	0.002	9.649	-0.104	-0.104	0.000	0.000	0.000	0.000
394	A	454	ASP	-1	-0.811	-0.887	5.049	5.601	5.758	-0.001	-0.008	-0.148	0.000
395	A	455	GLN	0	-0.046	-0.020	5.292	-0.496	-0.496	0.000	0.000	0.000	0.000
396	A	456	LEU	0	-0.051	-0.033	7.144	-0.217	-0.217	0.000	0.000	0.000	0.000
397	A	457	PRO	0	0.027	0.027	8.383	0.081	0.081	0.000	0.000	0.000	0.000
398	A	458	PRO	0	-0.015	-0.002	11.033	-0.148	-0.148	0.000	0.000	0.000	0.000
399	A	459	GLU	-1	-0.882	-0.943	14.568	0.152	0.152	0.000	0.000	0.000	0.000
400	A	460	THR	0	0.020	0.015	17.102	0.015	0.015	0.000	0.000	0.000	0.000
401	A	461	THR	0	-0.021	-0.004	13.764	0.027	0.027	0.000	0.000	0.000	0.000
402	A	462	ASP	-1	-0.955	-0.966	16.966	0.412	0.412	0.000	0.000	0.000	0.000
403	A	463	GLU	-1	-0.851	-0.929	20.682	0.210	0.210	0.000	0.000	0.000	0.000
404	A	464	PRO	0	-0.002	0.006	20.410	0.044	0.044	0.000	0.000	0.000	0.000
405	A	465	LEU	0	0.033	0.000	15.006	-0.023	-0.023	0.000	0.000	0.000	0.000
406	A	466	GLU	-1	-0.923	-0.964	19.226	0.266	0.266	0.000	0.000	0.000	0.000
407	A	467	LYS	1	0.865	0.935	22.084	-0.239	-0.239	0.000	0.000	0.000	0.000
408	A	468	GLY	0	0.059	0.026	19.744	-0.029	-0.029	0.000	0.000	0.000	0.000
409	A	469	TYR	0	-0.052	-0.019	16.884	0.013	0.013	0.000	0.000	0.000	0.000
410	A	470	SER	0	0.061	0.027	14.149	-0.060	-0.060	0.000	0.000	0.000	0.000
411	A	471	HIS	0	-0.019	-0.012	14.908	-0.126	-0.126	0.000	0.000	0.000	0.000
412	A	472	GLN	0	0.065	0.025	17.418	0.059	0.059	0.000	0.000	0.000	0.000
413	A	473	LEU	0	-0.060	-0.023	18.005	-0.042	-0.042	0.000	0.000	0.000	0.000
414	A	474	ASN	0	-0.052	-0.008	19.774	-0.011	-0.011	0.000	0.000	0.000	0.000
415	A	475	TYR	0	0.010	-0.031	20.695	0.009	0.009	0.000	0.000	0.000	0.000
416	A	476	VAL	0	0.027	0.020	20.042	-0.013	-0.013	0.000	0.000	0.000	0.000
417	A	477	MET	0	-0.020	0.006	20.653	0.005	0.005	0.000	0.000	0.000	0.000
418	A	478	CYS	0	-0.044	0.000	20.729	-0.026	-0.026	0.000	0.000	0.000	0.000
419	A	479	PHE	0	0.007	0.002	20.297	0.005	0.005	0.000	0.000	0.000	0.000
420	A	480	LEU	0	0.009	0.009	22.751	0.008	0.008	0.000	0.000	0.000	0.000
421	A	481	MET	0	-0.065	0.008	19.519	-0.021	-0.021	0.000	0.000	0.000	0.000
422	A	482	GLN	0	-0.014	-0.012	23.499	0.044	0.044	0.000	0.000	0.000	0.000
423	A	483	GLY	0	0.012	-0.009	25.856	0.003	0.003	0.000	0.000	0.000	0.000
424	A	484	SER	0	-0.038	-0.031	28.665	0.008	0.008	0.000	0.000	0.000	0.000
425	A	485	ARG	1	0.916	0.977	24.083	0.203	0.203	0.000	0.000	0.000	0.000
426	A	486	GLY	0	0.070	0.018	23.640	0.006	0.006	0.000	0.000	0.000	0.000
427	A	487	THR	0	-0.055	-0.049	21.995	-0.007	-0.007	0.000	0.000	0.000	0.000
428	A	488	ILE	0	0.007	0.007	16.808	0.000	0.000	0.000	0.000	0.000	0.000
429	A	489	PRO	0	-0.015	0.004	17.649	-0.007	-0.007	0.000	0.000	0.000	0.000
430	A	490	VAL	0	0.003	-0.005	15.893	-0.050	-0.050	0.000	0.000	0.000	0.000
431	A	491	LEU	0	-0.003	0.002	15.001	0.049	0.049	0.000	0.000	0.000	0.000
432	A	492	THR	0	-0.019	-0.014	15.768	-0.059	-0.059	0.000	0.000	0.000	0.000
433	A	493	TRP	0	-0.004	-0.018	14.180	0.076	0.076	0.000	0.000	0.000	0.000
434	A	494	THR	0	0.032	0.012	17.776	-0.029	-0.029	0.000	0.000	0.000	0.000
435	A	495	HIS	0	0.073	0.056	18.020	0.020	0.020	0.000	0.000	0.000	0.000
436	A	496	LYS	1	0.825	0.908	19.869	-0.174	-0.174	0.000	0.000	0.000	0.000
437	A	497	SER	0	-0.016	-0.025	21.705	0.000	0.000	0.000	0.000	0.000	0.000
438	A	498	VAL	0	-0.075	-0.024	23.989	-0.002	-0.002	0.000	0.000	0.000	0.000
439	A	499	ASP	-1	-0.740	-0.852	26.220	0.023	0.023	0.000	0.000	0.000	0.000
440	A	500	PHE	0	-0.048	-0.023	29.632	-0.010	-0.010	0.000	0.000	0.000	0.000
441	A	501	PHE	0	0.048	0.002	31.079	-0.007	-0.007	0.000	0.000	0.000	0.000
442	A	502	ASN	0	-0.040	0.006	33.277	-0.004	-0.004	0.000	0.000	0.000	0.000
443	A	503	MET	0	0.014	0.001	34.615	0.000	0.000	0.000	0.000	0.000	0.000
444	A	504	ILE	0	-0.041	-0.016	35.966	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	505	ASP	-1	-0.791	-0.895	36.301	0.032	0.032	0.000	0.000	0.000	0.000
446	A	506	SER	0	-0.060	-0.055	38.540	-0.003	-0.003	0.000	0.000	0.000	0.000
447	A	507	LYS	1	0.789	0.876	39.811	-0.026	-0.026	0.000	0.000	0.000	0.000
448	A	508	LYS	1	0.853	0.944	33.540	-0.045	-0.045	0.000	0.000	0.000	0.000
449	A	509	ILE	0	-0.025	-0.011	36.786	-0.004	-0.004	0.000	0.000	0.000	0.000
450	A	510	THR	0	0.010	0.007	34.632	0.003	0.003	0.000	0.000	0.000	0.000
451	A	511	GLN	0	-0.006	-0.007	31.141	-0.006	-0.006	0.000	0.000	0.000	0.000
452	A	512	LEU	0	0.023	-0.007	32.667	0.002	0.002	0.000	0.000	0.000	0.000
453	A	513	PRO	0	0.031	0.019	29.199	-0.005	-0.005	0.000	0.000	0.000	0.000
454	A	514	LEU	0	0.045	0.007	32.031	0.004	0.004	0.000	0.000	0.000	0.000
455	A	515	VAL	0	-0.023	0.000	28.290	0.003	0.003	0.000	0.000	0.000	0.000
456	A	516	LYS	1	0.775	0.887	29.017	0.032	0.032	0.000	0.000	0.000	0.000
457	A	517	ALA	0	-0.012	0.009	32.464	0.009	0.009	0.000	0.000	0.000	0.000
458	A	518	TYR	0	-0.013	-0.029	34.603	-0.005	-0.005	0.000	0.000	0.000	0.000
459	A	519	LYS	1	0.937	0.967	36.789	0.041	0.041	0.000	0.000	0.000	0.000
460	A	520	LEU	0	0.018	0.026	35.450	0.001	0.001	0.000	0.000	0.000	0.000
461	A	521	GLN	0	-0.069	-0.051	39.633	0.003	0.003	0.000	0.000	0.000	0.000
462	A	522	SER	0	-0.009	-0.035	42.917	-0.001	-0.001	0.000	0.000	0.000	0.000
463	A	523	GLY	0	0.051	0.037	42.248	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	524	ALA	0	-0.015	0.017	39.353	-0.005	-0.005	0.000	0.000	0.000	0.000
465	A	525	SER	0	-0.034	-0.034	35.601	-0.003	-0.003	0.000	0.000	0.000	0.000
466	A	526	VAL	0	-0.006	0.006	29.978	0.001	0.001	0.000	0.000	0.000	0.000
467	A	527	VAL	0	-0.027	-0.018	31.257	-0.008	-0.008	0.000	0.000	0.000	0.000
468	A	528	ALA	0	0.006	-0.003	26.362	0.000	0.000	0.000	0.000	0.000	0.000
469	A	529	GLY	0	-0.003	0.003	26.774	0.008	0.008	0.000	0.000	0.000	0.000
470	A	530	PRO	0	-0.010	-0.002	26.241	-0.024	-0.024	0.000	0.000	0.000	0.000
471	A	531	ARG	1	0.833	0.903	21.368	0.271	0.271	0.000	0.000	0.000	0.000
472	A	532	PHE	0	0.062	0.035	22.668	-0.010	-0.010	0.000	0.000	0.000	0.000
473	A	533	THR	0	0.012	0.011	25.123	0.010	0.010	0.000	0.000	0.000	0.000
474	A	534	GLY	0	0.099	0.049	23.180	0.018	0.018	0.000	0.000	0.000	0.000
475	A	535	GLY	0	-0.029	-0.014	23.716	0.000	0.000	0.000	0.000	0.000	0.000
476	A	536	ASP	-1	-0.832	-0.913	25.274	-0.216	-0.216	0.000	0.000	0.000	0.000
477	A	537	ILE	0	-0.006	-0.004	27.902	0.013	0.013	0.000	0.000	0.000	0.000
478	A	538	ILE	0	-0.017	-0.001	31.602	-0.005	-0.005	0.000	0.000	0.000	0.000
479	A	539	GLN	0	0.025	0.026	34.980	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	540	CYS	0	-0.022	-0.021	37.147	0.004	0.004	0.000	0.000	0.000	0.000
481	A	541	THR	0	0.042	-0.001	40.672	-0.003	-0.003	0.000	0.000	0.000	0.000
482	A	542	GLU	-1	-0.964	-0.967	43.164	-0.071	-0.071	0.000	0.000	0.000	0.000
483	A	543	ASN	0	-0.054	-0.024	46.218	0.001	0.001	0.000	0.000	0.000	0.000
484	A	544	GLY	0	0.052	0.016	48.092	0.001	0.001	0.000	0.000	0.000	0.000
485	A	545	SER	0	-0.040	-0.032	45.867	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	546	ALA	0	0.020	0.044	41.331	-0.003	-0.003	0.000	0.000	0.000	0.000
487	A	547	ALA	0	0.037	0.004	38.607	-0.004	-0.004	0.000	0.000	0.000	0.000
488	A	548	THR	0	-0.045	-0.018	40.348	0.005	0.005	0.000	0.000	0.000	0.000
489	A	549	ILE	0	0.016	-0.003	35.251	-0.003	-0.003	0.000	0.000	0.000	0.000
490	A	550	TYR	0	0.000	0.014	38.292	0.002	0.002	0.000	0.000	0.000	0.000
491	A	551	VAL	0	0.006	-0.003	38.006	0.000	0.000	0.000	0.000	0.000	0.000
492	A	552	THR	0	0.008	-0.012	37.936	0.002	0.002	0.000	0.000	0.000	0.000
493	A	553	PRO	0	-0.001	-0.011	39.675	0.002	0.002	0.000	0.000	0.000	0.000
494	A	554	ASP	-1	-0.723	-0.834	39.556	0.024	0.024	0.000	0.000	0.000	0.000
495	A	555	VAL	0	-0.073	-0.015	41.361	0.004	0.004	0.000	0.000	0.000	0.000
496	A	556	SER	0	0.002	-0.009	45.021	-0.002	-0.002	0.000	0.000	0.000	0.000
497	A	557	TYR	0	-0.025	-0.022	47.117	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	558	SER	0	0.049	0.032	49.291	0.000	0.000	0.000	0.000	0.000	0.000
499	A	559	GLN	0	-0.044	-0.003	45.536	0.002	0.002	0.000	0.000	0.000	0.000
500	A	560	LYS	1	0.861	0.909	48.536	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	561	TYR	0	0.033	0.009	42.275	0.002	0.002	0.000	0.000	0.000	0.000
502	A	562	ARG	1	0.858	0.933	45.225	0.015	0.015	0.000	0.000	0.000	0.000
503	A	563	ALA	0	0.044	0.030	42.858	0.001	0.001	0.000	0.000	0.000	0.000
504	A	564	ARG	1	0.832	0.911	38.752	0.025	0.025	0.000	0.000	0.000	0.000
505	A	565	ILE	0	-0.029	-0.006	39.314	0.000	0.000	0.000	0.000	0.000	0.000
506	A	566	HIS	0	-0.034	-0.018	32.109	0.001	0.001	0.000	0.000	0.000	0.000
507	A	567	TYR	0	-0.033	-0.054	36.396	-0.004	-0.004	0.000	0.000	0.000	0.000
508	A	568	ALA	0	0.072	0.039	36.335	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	569	SER	0	0.015	-0.008	38.346	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	570	THR	0	0.017	0.002	41.375	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	571	SER	0	-0.035	-0.021	43.451	0.001	0.001	0.000	0.000	0.000	0.000
512	A	572	GLN	0	0.006	0.021	46.036	0.001	0.001	0.000	0.000	0.000	0.000
513	A	573	ILE	0	-0.043	-0.012	43.636	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	574	THR	0	0.009	0.001	48.208	0.003	0.003	0.000	0.000	0.000	0.000
515	A	575	PHE	0	0.005	0.015	41.715	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	576	THR	0	-0.017	-0.023	47.102	0.004	0.004	0.000	0.000	0.000	0.000
517	A	577	LEU	0	-0.015	0.005	44.085	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	578	SER	0	0.025	-0.003	46.906	0.002	0.002	0.000	0.000	0.000	0.000
519	A	579	LEU	0	0.027	0.018	45.511	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	580	ASP	-1	-0.785	-0.888	47.420	-0.014	-0.014	0.000	0.000	0.000	0.000
521	A	581	GLY	0	-0.020	-0.006	49.020	0.001	0.001	0.000	0.000	0.000	0.000
522	A	582	ALA	0	0.001	0.007	50.865	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	583	PRO	0	-0.007	-0.013	51.408	0.000	0.000	0.000	0.000	0.000	0.000
524	A	584	PHE	0	-0.032	-0.010	46.192	0.002	0.002	0.000	0.000	0.000	0.000
525	A	585	ASN	0	-0.044	-0.024	48.732	0.000	0.000	0.000	0.000	0.000	0.000
526	A	586	GLN	0	-0.022	-0.012	50.074	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	587	TYR	0	-0.043	-0.015	48.515	0.004	0.004	0.000	0.000	0.000	0.000
528	A	588	TYR	0	0.040	0.017	49.732	-0.003	-0.003	0.000	0.000	0.000	0.000
529	A	589	PHE	0	-0.005	-0.010	44.661	0.001	0.001	0.000	0.000	0.000	0.000
530	A	590	ASP	-1	-0.870	-0.923	45.117	-0.050	-0.050	0.000	0.000	0.000	0.000
531	A	591	LYS	1	0.839	0.946	44.429	0.073	0.073	0.000	0.000	0.000	0.000
532	A	592	THR	0	-0.038	-0.041	38.857	0.002	0.002	0.000	0.000	0.000	0.000
533	A	593	ILE	0	-0.011	0.004	37.358	-0.004	-0.004	0.000	0.000	0.000	0.000
534	A	594	ASN	0	-0.044	-0.023	40.814	0.012	0.012	0.000	0.000	0.000	0.000
535	A	595	LYS	1	0.871	0.910	40.768	0.074	0.074	0.000	0.000	0.000	0.000
536	A	596	GLY	0	-0.032	-0.018	39.000	0.001	0.001	0.000	0.000	0.000	0.000
537	A	597	ASP	-1	-0.798	-0.869	37.231	-0.113	-0.113	0.000	0.000	0.000	0.000
538	A	598	THR	0	-0.049	-0.027	31.797	-0.004	-0.004	0.000	0.000	0.000	0.000
539	A	599	LEU	0	-0.036	-0.033	31.622	0.006	0.006	0.000	0.000	0.000	0.000
540	A	600	THR	0	-0.015	0.002	30.202	-0.011	-0.011	0.000	0.000	0.000	0.000
541	A	601	TYR	0	0.050	0.015	29.498	0.009	0.009	0.000	0.000	0.000	0.000
542	A	602	ASN	0	0.021	-0.008	31.557	0.010	0.010	0.000	0.000	0.000	0.000
543	A	603	SER	0	-0.018	0.009	34.284	0.002	0.002	0.000	0.000	0.000	0.000
544	A	604	PHE	0	-0.032	-0.008	32.100	0.001	0.001	0.000	0.000	0.000	0.000
545	A	605	ASN	0	0.025	0.012	36.066	0.004	0.004	0.000	0.000	0.000	0.000
546	A	606	LEU	0	-0.005	0.003	36.810	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	607	ALA	0	-0.001	0.015	39.279	0.004	0.004	0.000	0.000	0.000	0.000
548	A	608	SER	0	-0.027	-0.027	42.913	0.001	0.001	0.000	0.000	0.000	0.000
549	A	609	PHE	0	0.035	0.031	43.677	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	610	SER	0	0.005	0.005	47.717	0.002	0.002	0.000	0.000	0.000	0.000
551	A	611	THR	0	0.001	-0.007	51.069	0.002	0.002	0.000	0.000	0.000	0.000
552	A	612	PRO	0	-0.010	-0.007	49.592	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	613	PHE	0	-0.017	-0.008	44.526	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	614	GLU	-1	-0.801	-0.893	48.836	0.002	0.002	0.000	0.000	0.000	0.000
555	A	615	LEU	0	0.003	0.001	42.959	-0.003	-0.003	0.000	0.000	0.000	0.000
556	A	616	SER	0	-0.014	-0.008	47.228	0.002	0.002	0.000	0.000	0.000	0.000
557	A	617	GLY	0	0.001	-0.003	47.738	0.000	0.000	0.000	0.000	0.000	0.000
558	A	618	ASN	0	-0.073	-0.039	42.867	0.002	0.002	0.000	0.000	0.000	0.000
559	A	619	ASN	0	-0.043	-0.019	42.707	-0.005	-0.005	0.000	0.000	0.000	0.000
560	A	620	LEU	0	0.041	0.036	40.816	0.000	0.000	0.000	0.000	0.000	0.000
561	A	621	GLN	0	-0.021	0.000	42.392	-0.004	-0.004	0.000	0.000	0.000	0.000
562	A	622	ILE	0	0.008	0.010	40.397	0.002	0.002	0.000	0.000	0.000	0.000
563	A	623	GLY	0	0.003	-0.008	43.863	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	624	VAL	0	0.009	-0.004	43.326	0.001	0.001	0.000	0.000	0.000	0.000
565	A	625	THR	0	-0.013	-0.011	46.709	0.001	0.001	0.000	0.000	0.000	0.000
566	A	626	GLY	0	0.048	0.023	49.276	0.000	0.000	0.000	0.000	0.000	0.000
567	A	627	LEU	0	-0.023	0.004	44.953	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	628	SER	0	0.013	-0.016	48.778	0.004	0.004	0.000	0.000	0.000	0.000
569	A	629	ALA	0	0.014	-0.002	48.277	-0.003	-0.003	0.000	0.000	0.000	0.000
570	A	630	GLY	0	0.007	-0.006	45.442	0.000	0.000	0.000	0.000	0.000	0.000
571	A	631	ASP	-1	-0.843	-0.872	44.377	-0.078	-0.078	0.000	0.000	0.000	0.000
572	A	632	LYS	1	0.874	0.926	37.371	0.119	0.119	0.000	0.000	0.000	0.000
573	A	633	VAL	0	0.007	0.010	40.472	0.001	0.001	0.000	0.000	0.000	0.000
574	A	634	TYR	0	-0.001	-0.003	35.017	-0.005	-0.005	0.000	0.000	0.000	0.000
575	A	635	ILE	0	0.011	-0.006	36.462	0.005	0.005	0.000	0.000	0.000	0.000
576	A	636	ASP	-1	-0.764	-0.860	30.885	-0.105	-0.105	0.000	0.000	0.000	0.000
577	A	637	LYS	1	0.819	0.895	28.755	0.094	0.094	0.000	0.000	0.000	0.000
578	A	638	ILE	0	-0.021	0.001	34.696	0.001	0.001	0.000	0.000	0.000	0.000
579	A	639	GLU	-1	-0.750	-0.860	35.687	-0.034	-0.034	0.000	0.000	0.000	0.000
580	A	640	PHE	0	-0.032	-0.012	38.210	0.000	0.000	0.000	0.000	0.000	0.000
581	A	641	ILE	0	0.020	-0.004	39.893	0.003	0.003	0.000	0.000	0.000	0.000
582	A	642	PRO	0	0.052	0.044	41.298	-0.002	-0.002	0.000	0.000	0.000	0.000
583	A	643	VAL	0	-0.057	-0.046	44.216	0.000	0.000	0.000	0.000	0.000	0.000
584	A	644	ASN	0	0.014	0.009	47.768	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:61:THR)