FMO DATABASE

FMODB ID: R9KJ8

Calculation Name: 5LM7-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5LM7

Chain ID: A

ChEMBL ID:

UniProt ID: P03045

Base Structure: X-ray

Registration Date: 2023-06-26

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	OptAll
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	428
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5968206.214162
FMO2-HF: Nuclear repulsion	5801576.413417
FMO2-HF: Total energy	-166629.800745
FMO2-MP2: Total energy	-167117.691251

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

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

Summations of interaction energy for fragment #1(A:-1:GLY)

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.
-6.354	-4.842	11.007	-7.177	-5.341	-0.059

Interaction energy analysis for fragmet #1(A:-1:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.040 / q_NPA : 0.029

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	1	MET	0	0.037	0.018	3.849	0.166	1.897	-0.013	-0.951	-0.767	0.005
4	A	2	ASN	0	-0.049	-0.026	6.664	0.349	0.349	0.000	0.000	0.000	0.000
5	A	3	LYS	1	1.022	0.987	10.312	1.188	1.188	0.000	0.000	0.000	0.000
6	A	4	GLU	-1	-0.872	-0.919	11.985	-0.556	-0.556	0.000	0.000	0.000	0.000
7	A	5	ILE	0	-0.029	-0.022	12.275	0.100	0.100	0.000	0.000	0.000	0.000
8	A	6	LEU	0	0.026	0.020	9.876	0.079	0.079	0.000	0.000	0.000	0.000
9	A	7	ALA	0	0.050	0.020	12.796	0.104	0.104	0.000	0.000	0.000	0.000
10	A	8	VAL	0	-0.072	-0.039	16.197	0.077	0.077	0.000	0.000	0.000	0.000
11	A	9	VAL	0	-0.002	-0.012	13.639	0.057	0.057	0.000	0.000	0.000	0.000
12	A	10	GLU	-1	-0.963	-0.971	15.860	-0.341	-0.341	0.000	0.000	0.000	0.000
13	A	11	ALA	0	-0.038	-0.020	17.729	0.044	0.044	0.000	0.000	0.000	0.000
14	A	12	VAL	0	-0.069	-0.036	20.008	0.028	0.028	0.000	0.000	0.000	0.000
15	A	13	SER	0	-0.002	0.012	19.215	0.017	0.017	0.000	0.000	0.000	0.000
16	A	14	ASN	0	-0.052	-0.041	20.659	0.009	0.009	0.000	0.000	0.000	0.000
17	A	15	GLU	-1	-0.762	-0.879	23.350	-0.065	-0.065	0.000	0.000	0.000	0.000
18	A	16	LYS	1	0.819	0.898	25.828	0.070	0.070	0.000	0.000	0.000	0.000
19	A	17	ALA	0	-0.007	0.004	27.253	0.009	0.009	0.000	0.000	0.000	0.000
20	A	18	LEU	0	0.022	0.025	25.687	0.002	0.002	0.000	0.000	0.000	0.000
21	A	19	PRO	0	0.023	0.007	22.628	0.002	0.002	0.000	0.000	0.000	0.000
22	A	20	ARG	1	0.850	0.923	18.541	0.025	0.025	0.000	0.000	0.000	0.000
23	A	21	GLU	-1	-0.816	-0.907	17.251	-0.032	-0.032	0.000	0.000	0.000	0.000
24	A	22	LYS	1	0.888	0.925	17.411	0.005	0.005	0.000	0.000	0.000	0.000
25	A	23	ILE	0	-0.025	-0.008	16.463	-0.015	-0.015	0.000	0.000	0.000	0.000
26	A	24	PHE	0	0.016	-0.001	11.402	-0.037	-0.037	0.000	0.000	0.000	0.000
27	A	25	GLU	-1	-0.741	-0.862	14.232	-0.005	-0.005	0.000	0.000	0.000	0.000
28	A	26	ALA	0	-0.045	-0.007	16.572	0.004	0.004	0.000	0.000	0.000	0.000
29	A	27	LEU	0	-0.028	-0.026	11.320	-0.018	-0.018	0.000	0.000	0.000	0.000
30	A	28	GLU	-1	-0.760	-0.864	11.808	0.017	0.017	0.000	0.000	0.000	0.000
31	A	29	SER	0	0.045	0.029	12.802	0.023	0.023	0.000	0.000	0.000	0.000
32	A	30	ALA	0	-0.075	-0.016	15.237	0.001	0.001	0.000	0.000	0.000	0.000
33	A	31	LEU	0	-0.009	-0.008	8.899	-0.007	-0.007	0.000	0.000	0.000	0.000
34	A	32	ALA	0	0.023	0.025	12.655	-0.004	-0.004	0.000	0.000	0.000	0.000
35	A	33	THR	0	-0.034	-0.027	13.850	0.030	0.030	0.000	0.000	0.000	0.000
36	A	34	ALA	0	-0.091	-0.053	13.893	0.005	0.005	0.000	0.000	0.000	0.000
37	A	35	THR	0	0.016	-0.005	10.873	-0.009	-0.009	0.000	0.000	0.000	0.000
38	A	36	LYS	1	0.851	0.921	14.198	0.023	0.023	0.000	0.000	0.000	0.000
39	A	37	LYS	1	0.911	0.963	17.570	0.222	0.222	0.000	0.000	0.000	0.000
40	A	38	LYS	1	0.877	0.960	12.879	0.203	0.203	0.000	0.000	0.000	0.000
41	A	39	TYR	0	-0.092	-0.083	13.356	-0.042	-0.042	0.000	0.000	0.000	0.000
42	A	40	GLU	-1	-0.902	-0.933	19.157	-0.036	-0.036	0.000	0.000	0.000	0.000
43	A	41	GLN	0	-0.052	-0.035	22.183	0.012	0.012	0.000	0.000	0.000	0.000
44	A	42	GLU	-1	-0.809	-0.881	22.062	0.005	0.005	0.000	0.000	0.000	0.000
45	A	43	ILE	0	0.031	0.021	16.981	0.015	0.015	0.000	0.000	0.000	0.000
46	A	44	ASP	-1	-0.797	-0.899	19.395	0.023	0.023	0.000	0.000	0.000	0.000
47	A	45	VAL	0	-0.019	-0.001	13.305	0.020	0.020	0.000	0.000	0.000	0.000
48	A	46	ARG	1	0.840	0.899	13.645	-0.102	-0.102	0.000	0.000	0.000	0.000
49	A	47	VAL	0	-0.042	0.002	7.867	0.017	0.017	0.000	0.000	0.000	0.000
50	A	48	GLN	0	-0.027	-0.027	8.200	-0.055	-0.055	0.000	0.000	0.000	0.000
51	A	49	ILE	0	0.006	-0.002	7.139	0.106	0.106	0.000	0.000	0.000	0.000
52	A	50	ASP	-1	-0.772	-0.867	7.676	0.466	0.466	0.000	0.000	0.000	0.000
53	A	51	ARG	1	0.943	0.964	9.242	-0.166	-0.166	0.000	0.000	0.000	0.000
54	A	52	LYS	1	0.848	0.921	11.014	-0.291	-0.291	0.000	0.000	0.000	0.000
55	A	53	SER	0	-0.055	-0.040	5.166	0.135	0.135	0.000	0.000	0.000	0.000
56	A	54	GLY	0	-0.007	-0.011	7.482	-0.322	-0.322	0.000	0.000	0.000	0.000
57	A	55	ASP	-1	-0.869	-0.910	1.879	-12.748	-15.237	10.732	-5.041	-3.202	-0.055
58	A	56	PHE	0	-0.038	-0.039	3.001	0.507	1.041	0.047	-0.259	-0.322	0.000
59	A	57	ASP	-1	-0.874	-0.917	2.936	2.945	4.540	0.243	-0.873	-0.966	-0.009
60	A	58	THR	0	-0.038	-0.047	5.322	-0.623	-0.642	-0.001	-0.002	0.023	0.000
61	A	59	PHE	0	0.055	0.028	8.647	0.118	0.118	0.000	0.000	0.000	0.000
62	A	60	ARG	1	0.855	0.932	12.060	-0.209	-0.209	0.000	0.000	0.000	0.000
63	A	61	ARG	1	0.802	0.889	15.277	-0.274	-0.274	0.000	0.000	0.000	0.000
64	A	62	TRP	0	0.004	-0.004	17.648	-0.026	-0.026	0.000	0.000	0.000	0.000
65	A	63	LEU	0	-0.028	-0.020	22.007	0.016	0.016	0.000	0.000	0.000	0.000
66	A	64	VAL	0	-0.010	0.000	24.829	-0.007	-0.007	0.000	0.000	0.000	0.000
67	A	65	VAL	0	-0.038	-0.020	27.416	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	66	ASP	-1	-0.910	-0.958	30.797	0.077	0.077	0.000	0.000	0.000	0.000
69	A	67	GLU	-1	-0.964	-0.985	33.475	0.038	0.038	0.000	0.000	0.000	0.000
70	A	68	VAL	0	-0.017	0.000	32.775	0.002	0.002	0.000	0.000	0.000	0.000
71	A	69	THR	0	-0.035	-0.010	31.589	-0.007	-0.007	0.000	0.000	0.000	0.000
72	A	70	GLN	0	-0.042	-0.043	27.642	0.007	0.007	0.000	0.000	0.000	0.000
73	A	71	PRO	0	0.089	0.047	27.534	0.007	0.007	0.000	0.000	0.000	0.000
74	A	72	THR	0	-0.132	-0.072	23.747	0.015	0.015	0.000	0.000	0.000	0.000
75	A	73	LYS	1	0.800	0.874	22.818	-0.016	-0.016	0.000	0.000	0.000	0.000
76	A	74	GLU	-1	-0.811	-0.874	24.238	0.077	0.077	0.000	0.000	0.000	0.000
77	A	75	ILE	0	0.007	-0.017	23.343	0.010	0.010	0.000	0.000	0.000	0.000
78	A	76	THR	0	0.044	0.031	27.362	-0.006	-0.006	0.000	0.000	0.000	0.000
79	A	77	LEU	0	0.054	0.017	28.808	0.011	0.011	0.000	0.000	0.000	0.000
80	A	78	GLU	-1	-0.909	-0.970	29.688	0.154	0.154	0.000	0.000	0.000	0.000
81	A	79	ALA	0	-0.048	-0.020	24.982	0.010	0.010	0.000	0.000	0.000	0.000
82	A	80	ALA	0	0.034	0.010	25.450	0.020	0.020	0.000	0.000	0.000	0.000
83	A	81	ARG	1	0.741	0.858	26.575	-0.169	-0.169	0.000	0.000	0.000	0.000
84	A	82	TYR	0	-0.064	-0.030	23.349	0.004	0.004	0.000	0.000	0.000	0.000
85	A	83	GLU	-1	-0.924	-0.952	22.229	0.341	0.341	0.000	0.000	0.000	0.000
86	A	84	ASP	-1	-0.889	-0.943	24.344	0.189	0.189	0.000	0.000	0.000	0.000
87	A	85	GLU	-1	-0.938	-0.952	27.925	0.134	0.134	0.000	0.000	0.000	0.000
88	A	86	SER	0	-0.030	-0.005	25.772	-0.016	-0.016	0.000	0.000	0.000	0.000
89	A	87	LEU	0	-0.036	-0.013	22.841	-0.009	-0.009	0.000	0.000	0.000	0.000
90	A	88	ASN	0	-0.034	-0.020	26.907	-0.020	-0.020	0.000	0.000	0.000	0.000
91	A	89	LEU	0	0.016	0.006	28.461	0.004	0.004	0.000	0.000	0.000	0.000
92	A	90	GLY	0	-0.017	-0.015	29.198	-0.004	-0.004	0.000	0.000	0.000	0.000
93	A	91	ASP	-1	-0.893	-0.930	23.844	0.183	0.183	0.000	0.000	0.000	0.000
94	A	92	TYR	0	-0.059	-0.052	18.845	-0.004	-0.004	0.000	0.000	0.000	0.000
95	A	93	VAL	0	-0.023	-0.009	18.943	0.019	0.019	0.000	0.000	0.000	0.000
96	A	94	GLU	-1	-0.832	-0.898	15.603	0.404	0.404	0.000	0.000	0.000	0.000
97	A	95	ASP	-1	-0.833	-0.901	16.288	0.403	0.403	0.000	0.000	0.000	0.000
98	A	96	GLN	0	-0.138	-0.087	14.779	0.014	0.014	0.000	0.000	0.000	0.000
99	A	97	ILE	0	-0.015	-0.009	7.970	-0.033	-0.033	0.000	0.000	0.000	0.000
100	A	98	GLU	-1	-0.810	-0.874	10.316	0.013	0.013	0.000	0.000	0.000	0.000
101	A	99	SER	0	-0.074	-0.046	8.918	0.088	0.088	0.000	0.000	0.000	0.000
102	A	100	VAL	0	-0.022	0.002	4.007	-0.248	-0.170	0.000	-0.015	-0.062	0.000
103	A	101	THR	0	-0.020	-0.015	7.471	-0.089	-0.089	0.000	0.000	0.000	0.000
104	A	102	PHE	0	0.003	-0.002	4.389	-0.235	-0.153	-0.001	-0.036	-0.045	0.000
105	A	103	ASP	-1	-0.746	-0.839	9.914	-0.334	-0.334	0.000	0.000	0.000	0.000
106	A	104	ARG	1	0.910	0.951	12.925	0.366	0.366	0.000	0.000	0.000	0.000
107	A	105	ILE	0	-0.053	-0.029	15.790	0.045	0.045	0.000	0.000	0.000	0.000
108	A	106	THR	0	-0.002	-0.052	14.106	0.006	0.006	0.000	0.000	0.000	0.000
109	A	107	THR	0	0.014	0.021	14.912	0.004	0.004	0.000	0.000	0.000	0.000
110	A	108	GLN	0	0.005	0.002	15.806	0.024	0.024	0.000	0.000	0.000	0.000
111	A	109	THR	0	-0.019	-0.017	17.094	0.045	0.045	0.000	0.000	0.000	0.000
112	A	110	ALA	0	0.063	0.034	14.542	0.041	0.041	0.000	0.000	0.000	0.000
113	A	111	LYS	1	0.982	0.991	16.491	0.379	0.379	0.000	0.000	0.000	0.000
114	A	112	GLN	0	-0.053	-0.026	18.726	0.052	0.052	0.000	0.000	0.000	0.000
115	A	113	VAL	0	0.029	0.014	18.316	0.027	0.027	0.000	0.000	0.000	0.000
116	A	114	ILE	0	0.017	0.017	15.414	0.028	0.028	0.000	0.000	0.000	0.000
117	A	115	VAL	0	-0.009	-0.015	19.772	0.028	0.028	0.000	0.000	0.000	0.000
118	A	116	GLN	0	-0.070	-0.034	23.126	0.018	0.018	0.000	0.000	0.000	0.000
119	A	117	LYS	1	0.861	0.896	20.815	0.133	0.133	0.000	0.000	0.000	0.000
120	A	118	VAL	0	0.004	0.022	23.387	0.014	0.014	0.000	0.000	0.000	0.000
121	A	119	ARG	1	0.934	0.973	25.659	0.161	0.161	0.000	0.000	0.000	0.000
122	A	120	GLU	-1	-0.841	-0.892	25.187	-0.080	-0.080	0.000	0.000	0.000	0.000
123	A	121	ALA	0	0.031	0.017	26.108	0.012	0.012	0.000	0.000	0.000	0.000
124	A	122	GLU	-1	-0.797	-0.864	28.151	-0.104	-0.104	0.000	0.000	0.000	0.000
125	A	123	ARG	1	0.862	0.919	31.279	0.057	0.057	0.000	0.000	0.000	0.000
126	A	124	ALA	0	-0.013	-0.013	30.037	0.006	0.006	0.000	0.000	0.000	0.000
127	A	125	MET	0	0.040	0.020	31.400	0.005	0.005	0.000	0.000	0.000	0.000
128	A	126	VAL	0	-0.022	-0.007	33.137	0.004	0.004	0.000	0.000	0.000	0.000
129	A	127	VAL	0	-0.060	-0.036	34.998	0.004	0.004	0.000	0.000	0.000	0.000
130	A	128	ASP	-1	-0.882	-0.932	33.141	-0.022	-0.022	0.000	0.000	0.000	0.000
131	A	129	GLN	0	-0.029	-0.034	36.586	0.000	0.000	0.000	0.000	0.000	0.000
132	A	130	PHE	0	-0.062	-0.028	39.451	0.001	0.001	0.000	0.000	0.000	0.000
133	A	131	ARG	1	0.829	0.881	37.733	0.018	0.018	0.000	0.000	0.000	0.000
134	A	132	GLU	-1	-0.948	-0.956	40.231	-0.009	-0.009	0.000	0.000	0.000	0.000
135	A	133	HIS	0	-0.066	-0.038	42.294	0.000	0.000	0.000	0.000	0.000	0.000
136	A	134	GLU	-1	-0.852	-0.902	42.534	-0.015	-0.015	0.000	0.000	0.000	0.000
137	A	135	GLY	0	0.031	0.018	45.717	0.002	0.002	0.000	0.000	0.000	0.000
138	A	136	GLU	-1	-0.873	-0.926	48.526	-0.013	-0.013	0.000	0.000	0.000	0.000
139	A	137	ILE	0	-0.055	-0.044	50.780	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	138	ILE	0	0.067	0.054	47.693	0.000	0.000	0.000	0.000	0.000	0.000
141	A	139	THR	0	-0.066	-0.066	51.654	0.001	0.001	0.000	0.000	0.000	0.000
142	A	140	GLY	0	0.042	0.028	51.648	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	141	VAL	0	-0.094	-0.047	52.164	0.002	0.002	0.000	0.000	0.000	0.000
144	A	142	VAL	0	0.008	0.028	52.655	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	143	LYS	1	0.797	0.886	45.773	0.049	0.049	0.000	0.000	0.000	0.000
146	A	144	LYS	1	0.855	0.915	49.399	0.045	0.045	0.000	0.000	0.000	0.000
147	A	145	VAL	0	0.047	0.026	52.584	0.001	0.001	0.000	0.000	0.000	0.000
148	A	146	ASN	0	-0.032	-0.006	49.637	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	147	ARG	1	0.892	0.923	53.443	0.037	0.037	0.000	0.000	0.000	0.000
150	A	148	ASP	-1	-0.823	-0.897	54.159	-0.034	-0.034	0.000	0.000	0.000	0.000
151	A	149	ASN	0	0.003	0.009	50.483	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	150	ILE	0	0.009	0.010	52.881	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	151	SER	0	0.026	0.010	48.263	0.000	0.000	0.000	0.000	0.000	0.000
154	A	152	LEU	0	-0.036	-0.022	49.435	0.001	0.001	0.000	0.000	0.000	0.000
155	A	153	ASP	-1	-0.847	-0.925	47.970	-0.043	-0.043	0.000	0.000	0.000	0.000
156	A	154	LEU	0	0.025	0.010	45.916	0.003	0.003	0.000	0.000	0.000	0.000
157	A	155	GLY	0	0.018	0.015	46.676	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	156	ASN	0	-0.017	-0.027	42.324	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	157	ASN	0	-0.033	-0.016	40.631	0.001	0.001	0.000	0.000	0.000	0.000
160	A	158	ALA	0	0.059	0.058	41.628	-0.003	-0.003	0.000	0.000	0.000	0.000
161	A	159	GLU	-1	-0.887	-0.952	43.034	-0.052	-0.052	0.000	0.000	0.000	0.000
162	A	160	ALA	0	0.029	0.012	44.730	0.001	0.001	0.000	0.000	0.000	0.000
163	A	161	VAL	0	-0.036	-0.013	46.194	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	162	ILE	0	0.019	0.022	48.604	0.002	0.002	0.000	0.000	0.000	0.000
165	A	163	LEU	0	0.023	0.008	51.094	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	164	ARG	1	0.874	0.890	52.847	0.030	0.030	0.000	0.000	0.000	0.000
167	A	165	GLU	-1	-0.839	-0.900	55.231	-0.022	-0.022	0.000	0.000	0.000	0.000
168	A	166	ASP	-1	-0.734	-0.797	51.952	-0.025	-0.025	0.000	0.000	0.000	0.000
169	A	167	MET	0	-0.028	-0.009	55.288	0.001	0.001	0.000	0.000	0.000	0.000
170	A	168	LEU	0	0.060	0.031	58.306	0.000	0.000	0.000	0.000	0.000	0.000
171	A	169	PRO	0	0.011	0.001	62.129	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	170	ARG	1	0.878	0.946	63.717	0.018	0.018	0.000	0.000	0.000	0.000
173	A	171	GLU	-1	-0.879	-0.924	62.510	-0.022	-0.022	0.000	0.000	0.000	0.000
174	A	172	ASN	0	-0.093	-0.053	61.667	-0.002	-0.002	0.000	0.000	0.000	0.000
175	A	173	PHE	0	0.061	0.035	58.411	0.000	0.000	0.000	0.000	0.000	0.000
176	A	174	ARG	1	0.826	0.890	59.689	0.026	0.026	0.000	0.000	0.000	0.000
177	A	175	PRO	0	-0.004	-0.019	56.544	0.000	0.000	0.000	0.000	0.000	0.000
178	A	176	GLY	0	-0.012	-0.002	56.901	0.001	0.001	0.000	0.000	0.000	0.000
179	A	177	ASP	-1	-0.787	-0.861	58.454	-0.025	-0.025	0.000	0.000	0.000	0.000
180	A	178	ARG	1	0.934	0.961	54.615	0.022	0.022	0.000	0.000	0.000	0.000
181	A	179	VAL	0	-0.013	-0.006	55.183	0.001	0.001	0.000	0.000	0.000	0.000
182	A	180	ARG	1	0.894	0.936	54.807	0.014	0.014	0.000	0.000	0.000	0.000
183	A	181	GLY	0	0.025	-0.011	53.983	0.000	0.000	0.000	0.000	0.000	0.000
184	A	182	VAL	0	0.034	0.048	50.992	0.000	0.000	0.000	0.000	0.000	0.000
185	A	183	LEU	0	-0.031	-0.013	45.030	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	184	TYR	0	-0.014	-0.043	48.156	0.001	0.001	0.000	0.000	0.000	0.000
187	A	185	SER	0	-0.037	-0.017	44.285	0.000	0.000	0.000	0.000	0.000	0.000
188	A	186	VAL	0	0.062	0.039	39.607	-0.002	-0.002	0.000	0.000	0.000	0.000
189	A	187	ARG	1	0.951	0.993	39.864	0.039	0.039	0.000	0.000	0.000	0.000
190	A	188	PRO	0	-0.041	-0.016	35.989	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	189	GLU	-1	-0.856	-0.919	37.052	-0.063	-0.063	0.000	0.000	0.000	0.000
192	A	190	ALA	0	-0.031	-0.034	35.343	-0.006	-0.006	0.000	0.000	0.000	0.000
193	A	191	ARG	1	0.681	0.796	31.412	0.116	0.116	0.000	0.000	0.000	0.000
194	A	192	GLY	0	0.055	0.024	33.898	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	193	ALA	0	-0.009	-0.002	35.020	0.003	0.003	0.000	0.000	0.000	0.000
196	A	194	GLN	0	0.033	0.027	38.106	0.000	0.000	0.000	0.000	0.000	0.000
197	A	195	LEU	0	0.045	0.025	41.313	0.002	0.002	0.000	0.000	0.000	0.000
198	A	196	PHE	0	-0.040	-0.013	43.437	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	197	VAL	0	0.006	-0.002	46.859	0.002	0.002	0.000	0.000	0.000	0.000
200	A	198	THR	0	-0.055	-0.062	50.160	0.000	0.000	0.000	0.000	0.000	0.000
201	A	199	ARG	1	0.791	0.871	53.616	0.021	0.021	0.000	0.000	0.000	0.000
202	A	200	SER	0	-0.058	-0.016	56.763	0.002	0.002	0.000	0.000	0.000	0.000
203	A	201	LYS	1	0.876	0.926	52.670	0.024	0.024	0.000	0.000	0.000	0.000
204	A	202	PRO	0	0.025	-0.005	56.154	0.000	0.000	0.000	0.000	0.000	0.000
205	A	203	GLU	-1	-0.802	-0.916	52.224	-0.015	-0.015	0.000	0.000	0.000	0.000
206	A	204	MET	0	-0.042	0.001	55.491	0.001	0.001	0.000	0.000	0.000	0.000
207	A	205	LEU	0	-0.005	-0.002	57.170	0.001	0.001	0.000	0.000	0.000	0.000
208	A	206	ILE	0	-0.005	0.001	57.093	0.001	0.001	0.000	0.000	0.000	0.000
209	A	207	GLU	-1	-0.769	-0.859	53.899	-0.006	-0.006	0.000	0.000	0.000	0.000
210	A	208	LEU	0	-0.067	-0.041	57.377	0.000	0.000	0.000	0.000	0.000	0.000
211	A	209	PHE	0	0.007	-0.014	60.456	0.001	0.001	0.000	0.000	0.000	0.000
212	A	210	ARG	1	0.844	0.904	55.228	0.005	0.005	0.000	0.000	0.000	0.000
213	A	211	ILE	0	-0.066	-0.029	58.292	0.001	0.001	0.000	0.000	0.000	0.000
214	A	212	GLU	-1	-0.915	-0.955	60.527	-0.007	-0.007	0.000	0.000	0.000	0.000
215	A	213	VAL	0	-0.041	-0.033	63.456	0.001	0.001	0.000	0.000	0.000	0.000
216	A	214	PRO	0	0.042	0.027	62.106	0.000	0.000	0.000	0.000	0.000	0.000
217	A	215	GLU	-1	-0.789	-0.871	62.475	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	216	ILE	0	-0.015	-0.016	59.484	0.001	0.001	0.000	0.000	0.000	0.000
219	A	217	GLY	0	-0.048	-0.027	58.264	0.000	0.000	0.000	0.000	0.000	0.000
220	A	218	GLU	-1	-0.984	-0.996	58.203	0.004	0.004	0.000	0.000	0.000	0.000
221	A	219	GLU	-1	-0.977	-0.985	56.525	0.008	0.008	0.000	0.000	0.000	0.000
222	A	220	VAL	0	-0.016	0.007	60.252	0.000	0.000	0.000	0.000	0.000	0.000
223	A	221	ILE	0	-0.088	-0.045	63.495	0.000	0.000	0.000	0.000	0.000	0.000
224	A	222	GLU	-1	-0.771	-0.863	59.625	0.003	0.003	0.000	0.000	0.000	0.000
225	A	223	ILE	0	-0.021	-0.019	58.414	0.000	0.000	0.000	0.000	0.000	0.000
226	A	224	LYS	1	0.782	0.879	59.950	-0.002	-0.002	0.000	0.000	0.000	0.000
227	A	225	ALA	0	0.045	0.030	60.314	0.000	0.000	0.000	0.000	0.000	0.000
228	A	226	ALA	0	-0.003	-0.020	60.571	0.000	0.000	0.000	0.000	0.000	0.000
229	A	227	ALA	0	0.006	0.030	60.983	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	228	ARG	1	0.767	0.840	59.946	0.015	0.015	0.000	0.000	0.000	0.000
231	A	229	ASP	-1	-0.804	-0.885	63.167	-0.015	-0.015	0.000	0.000	0.000	0.000
232	A	230	PRO	0	0.037	0.015	60.927	0.000	0.000	0.000	0.000	0.000	0.000
233	A	231	GLY	0	-0.014	0.004	63.825	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	232	SER	0	-0.164	-0.112	66.928	0.001	0.001	0.000	0.000	0.000	0.000
235	A	233	ARG	1	0.829	0.919	68.051	0.012	0.012	0.000	0.000	0.000	0.000
236	A	234	ALA	0	0.081	0.048	65.230	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	235	LYS	1	0.773	0.873	66.180	0.008	0.008	0.000	0.000	0.000	0.000
238	A	236	ILE	0	-0.022	-0.009	62.881	0.000	0.000	0.000	0.000	0.000	0.000
239	A	237	ALA	0	0.027	0.031	64.868	0.000	0.000	0.000	0.000	0.000	0.000
240	A	238	VAL	0	0.004	-0.004	64.531	0.000	0.000	0.000	0.000	0.000	0.000
241	A	239	LYS	1	0.793	0.885	65.500	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	240	THR	0	0.022	-0.002	65.627	0.000	0.000	0.000	0.000	0.000	0.000
243	A	241	ASN	0	0.036	0.012	64.508	0.000	0.000	0.000	0.000	0.000	0.000
244	A	242	ASP	-1	-0.894	-0.932	66.819	0.007	0.007	0.000	0.000	0.000	0.000
245	A	243	LYS	1	0.825	0.900	69.479	-0.006	-0.006	0.000	0.000	0.000	0.000
246	A	244	ARG	1	0.950	0.983	70.069	-0.006	-0.006	0.000	0.000	0.000	0.000
247	A	245	ILE	0	0.006	-0.009	69.783	0.000	0.000	0.000	0.000	0.000	0.000
248	A	246	ASP	-1	-0.808	-0.897	71.754	-0.001	-0.001	0.000	0.000	0.000	0.000
249	A	247	PRO	0	0.026	0.019	68.234	0.000	0.000	0.000	0.000	0.000	0.000
250	A	248	VAL	0	0.046	0.019	69.363	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	249	GLY	0	0.025	0.007	71.417	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	250	ALA	0	-0.039	-0.008	69.184	0.000	0.000	0.000	0.000	0.000	0.000
253	A	251	CYS	0	-0.004	0.009	67.090	0.000	0.000	0.000	0.000	0.000	0.000
254	A	252	VAL	0	-0.008	-0.001	69.037	-0.001	-0.001	0.000	0.000	0.000	0.000
255	A	253	GLY	0	0.056	0.020	72.374	-0.001	-0.001	0.000	0.000	0.000	0.000
256	A	254	MET	0	-0.024	-0.023	73.478	0.000	0.000	0.000	0.000	0.000	0.000
257	A	255	ARG	1	0.909	0.944	76.730	0.005	0.005	0.000	0.000	0.000	0.000
258	A	256	GLY	0	0.061	0.029	74.734	0.000	0.000	0.000	0.000	0.000	0.000
259	A	257	ALA	0	-0.035	-0.018	73.564	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	258	ARG	1	0.751	0.867	67.466	0.003	0.003	0.000	0.000	0.000	0.000
261	A	259	VAL	0	0.061	0.033	68.874	-0.001	-0.001	0.000	0.000	0.000	0.000
262	A	260	GLN	0	-0.045	-0.031	69.398	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	261	ALA	0	0.029	0.039	67.892	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	262	VAL	0	0.037	0.011	64.299	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	263	SER	0	-0.041	-0.033	65.504	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	264	THR	0	-0.066	-0.051	67.744	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	265	GLU	-1	-0.795	-0.853	61.270	-0.017	-0.017	0.000	0.000	0.000	0.000
268	A	266	LEU	0	-0.026	-0.018	61.916	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	267	GLY	0	-0.024	-0.007	64.640	0.000	0.000	0.000	0.000	0.000	0.000
270	A	268	GLY	0	-0.037	-0.018	67.312	0.000	0.000	0.000	0.000	0.000	0.000
271	A	269	GLU	-1	-0.833	-0.886	64.834	-0.013	-0.013	0.000	0.000	0.000	0.000
272	A	270	ARG	1	0.840	0.932	69.026	0.013	0.013	0.000	0.000	0.000	0.000
273	A	271	ILE	0	0.026	0.000	66.799	0.000	0.000	0.000	0.000	0.000	0.000
274	A	272	ASP	-1	-0.836	-0.891	70.083	-0.007	-0.007	0.000	0.000	0.000	0.000
275	A	273	ILE	0	-0.029	-0.022	68.569	0.000	0.000	0.000	0.000	0.000	0.000
276	A	274	VAL	0	-0.021	-0.002	69.328	0.000	0.000	0.000	0.000	0.000	0.000
277	A	275	LEU	0	0.008	-0.003	69.282	0.000	0.000	0.000	0.000	0.000	0.000
278	A	276	TRP	0	-0.034	-0.033	63.022	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	277	ASP	-1	-0.895	-0.963	67.987	0.003	0.003	0.000	0.000	0.000	0.000
280	A	278	ASP	-1	-0.786	-0.875	65.698	0.003	0.003	0.000	0.000	0.000	0.000
281	A	279	ASN	0	0.010	0.019	67.729	0.000	0.000	0.000	0.000	0.000	0.000
282	A	280	PRO	0	0.053	0.022	67.228	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	281	ALA	0	0.055	0.026	69.112	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	282	GLN	0	-0.045	-0.034	72.616	0.000	0.000	0.000	0.000	0.000	0.000
285	A	283	PHE	0	0.029	0.002	65.471	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	284	VAL	0	0.055	0.018	69.291	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	285	ILE	0	-0.007	0.002	71.299	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	286	ASN	0	-0.053	-0.029	72.317	0.000	0.000	0.000	0.000	0.000	0.000
289	A	287	ALA	0	-0.009	0.002	69.120	0.000	0.000	0.000	0.000	0.000	0.000
290	A	288	MET	0	-0.031	-0.011	70.997	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	289	ALA	0	0.056	0.049	73.842	0.000	0.000	0.000	0.000	0.000	0.000
292	A	290	PRO	0	-0.052	-0.032	74.116	0.000	0.000	0.000	0.000	0.000	0.000
293	A	291	ALA	0	-0.047	0.002	77.303	0.000	0.000	0.000	0.000	0.000	0.000
294	A	292	ASP	-1	-0.896	-0.950	77.728	-0.003	-0.003	0.000	0.000	0.000	0.000
295	A	293	VAL	0	0.000	-0.018	78.607	0.000	0.000	0.000	0.000	0.000	0.000
296	A	294	ALA	0	0.003	-0.001	81.244	0.000	0.000	0.000	0.000	0.000	0.000
297	A	295	SER	0	-0.030	-0.009	81.950	0.000	0.000	0.000	0.000	0.000	0.000
298	A	296	ILE	0	0.001	-0.011	75.460	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	297	VAL	0	0.000	0.007	76.961	0.000	0.000	0.000	0.000	0.000	0.000
300	A	298	VAL	0	0.004	-0.016	71.126	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	299	ASP	-1	-0.762	-0.861	69.912	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	300	GLU	-1	-0.877	-0.946	67.540	0.000	0.000	0.000	0.000	0.000	0.000
303	A	301	ASP	-1	-0.844	-0.899	66.603	-0.001	-0.001	0.000	0.000	0.000	0.000
304	A	302	LYS	1	0.763	0.868	65.050	0.002	0.002	0.000	0.000	0.000	0.000
305	A	303	HIS	1	0.777	0.883	65.409	0.001	0.001	0.000	0.000	0.000	0.000
306	A	304	THR	0	-0.004	0.014	67.337	0.000	0.000	0.000	0.000	0.000	0.000
307	A	305	MET	0	-0.021	-0.001	69.387	0.001	0.001	0.000	0.000	0.000	0.000
308	A	306	ASP	-1	-0.837	-0.906	72.517	-0.005	-0.005	0.000	0.000	0.000	0.000
309	A	307	ILE	0	-0.016	-0.016	74.223	0.001	0.001	0.000	0.000	0.000	0.000
310	A	308	ALA	0	0.001	-0.005	77.724	0.000	0.000	0.000	0.000	0.000	0.000
311	A	309	VAL	0	-0.020	-0.005	81.443	0.000	0.000	0.000	0.000	0.000	0.000
312	A	310	GLU	-1	-0.873	-0.934	83.804	-0.004	-0.004	0.000	0.000	0.000	0.000
313	A	311	ALA	0	0.030	-0.009	85.413	0.000	0.000	0.000	0.000	0.000	0.000
314	A	312	GLY	0	-0.035	-0.020	85.645	0.000	0.000	0.000	0.000	0.000	0.000
315	A	313	ASN	0	0.003	-0.005	82.478	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	314	LEU	0	0.018	0.028	80.576	0.000	0.000	0.000	0.000	0.000	0.000
317	A	315	ALA	0	-0.008	-0.017	80.355	0.000	0.000	0.000	0.000	0.000	0.000
318	A	316	GLN	0	-0.033	-0.017	79.892	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	317	ALA	0	0.026	0.018	77.396	0.000	0.000	0.000	0.000	0.000	0.000
320	A	318	ILE	0	0.019	0.025	75.644	0.000	0.000	0.000	0.000	0.000	0.000
321	A	319	GLY	0	0.065	0.032	74.938	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	320	ARG	1	0.919	0.937	75.120	0.012	0.012	0.000	0.000	0.000	0.000
323	A	321	ASN	0	-0.004	-0.014	71.628	0.000	0.000	0.000	0.000	0.000	0.000
324	A	322	GLY	0	0.081	0.051	71.909	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	323	GLN	0	-0.087	-0.063	69.385	0.000	0.000	0.000	0.000	0.000	0.000
326	A	324	ASN	0	-0.024	0.011	69.923	0.000	0.000	0.000	0.000	0.000	0.000
327	A	325	VAL	0	0.122	0.059	71.006	0.000	0.000	0.000	0.000	0.000	0.000
328	A	326	ARG	1	0.885	0.950	65.714	0.013	0.013	0.000	0.000	0.000	0.000
329	A	327	LEU	0	-0.026	-0.018	65.298	0.000	0.000	0.000	0.000	0.000	0.000
330	A	328	ALA	0	0.043	0.029	66.644	0.000	0.000	0.000	0.000	0.000	0.000
331	A	329	SER	0	-0.050	-0.032	66.169	0.000	0.000	0.000	0.000	0.000	0.000
332	A	330	GLN	0	-0.044	-0.038	59.734	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	331	LEU	0	-0.043	-0.023	62.376	0.000	0.000	0.000	0.000	0.000	0.000
334	A	332	SER	0	-0.058	-0.031	63.642	0.001	0.001	0.000	0.000	0.000	0.000
335	A	333	GLY	0	-0.020	-0.001	61.481	0.001	0.001	0.000	0.000	0.000	0.000
336	A	334	TRP	0	-0.001	0.004	61.649	0.000	0.000	0.000	0.000	0.000	0.000
337	A	335	GLU	-1	-0.922	-0.938	64.582	-0.009	-0.009	0.000	0.000	0.000	0.000
338	A	336	LEU	0	-0.023	-0.022	66.852	0.001	0.001	0.000	0.000	0.000	0.000
339	A	337	ASN	0	-0.033	-0.019	70.536	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	338	VAL	0	-0.022	-0.021	73.853	0.000	0.000	0.000	0.000	0.000	0.000
341	A	339	MET	0	-0.044	0.000	77.179	0.000	0.000	0.000	0.000	0.000	0.000
342	A	340	THR	0	-0.026	-0.060	80.849	0.000	0.000	0.000	0.000	0.000	0.000
343	A	341	VAL	0	0.022	-0.008	84.345	0.000	0.000	0.000	0.000	0.000	0.000
344	A	342	ASP	-1	-0.924	-0.952	86.064	-0.004	-0.004	0.000	0.000	0.000	0.000
345	A	343	ASP	-1	-0.876	-0.908	84.178	-0.006	-0.006	0.000	0.000	0.000	0.000
346	A	344	LEU	0	-0.017	-0.011	80.543	0.000	0.000	0.000	0.000	0.000	0.000
347	A	345	GLN	0	0.038	0.022	83.765	0.000	0.000	0.000	0.000	0.000	0.000
348	A	346	ALA	0	0.008	0.000	86.495	0.000	0.000	0.000	0.000	0.000	0.000
349	A	347	LYS	1	0.840	0.939	79.657	0.005	0.005	0.000	0.000	0.000	0.000
350	A	348	HIS	1	0.943	0.933	78.801	0.003	0.003	0.000	0.000	0.000	0.000
351	A	349	GLN	0	-0.016	-0.003	83.302	0.000	0.000	0.000	0.000	0.000	0.000
352	A	350	ALA	0	-0.038	-0.018	84.191	0.000	0.000	0.000	0.000	0.000	0.000
353	A	351	GLU	-1	-0.852	-0.908	79.258	-0.003	-0.003	0.000	0.000	0.000	0.000
354	A	352	ALA	0	0.077	0.046	81.963	0.000	0.000	0.000	0.000	0.000	0.000
355	A	353	HIS	0	-0.035	-0.019	84.081	0.000	0.000	0.000	0.000	0.000	0.000
356	A	354	ALA	0	-0.010	-0.017	82.114	0.000	0.000	0.000	0.000	0.000	0.000
357	A	355	ALA	0	0.060	0.034	80.788	0.000	0.000	0.000	0.000	0.000	0.000
358	A	356	ILE	0	0.011	0.022	82.213	0.000	0.000	0.000	0.000	0.000	0.000
359	A	357	ASP	-1	-0.852	-0.917	85.596	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	358	THR	0	-0.067	-0.047	80.321	0.000	0.000	0.000	0.000	0.000	0.000
361	A	359	PHE	0	0.046	0.032	80.995	0.000	0.000	0.000	0.000	0.000	0.000
362	A	360	THR	0	-0.066	-0.070	84.623	0.000	0.000	0.000	0.000	0.000	0.000
363	A	361	LYS	1	0.749	0.860	84.180	0.002	0.002	0.000	0.000	0.000	0.000
364	A	362	TYR	0	-0.035	-0.009	78.541	0.000	0.000	0.000	0.000	0.000	0.000
365	A	363	LEU	0	-0.097	-0.058	84.547	0.000	0.000	0.000	0.000	0.000	0.000
366	A	364	ASP	-1	-0.912	-0.958	87.097	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	365	ILE	0	-0.060	-0.016	90.064	0.000	0.000	0.000	0.000	0.000	0.000
368	A	366	ASP	-1	-0.839	-0.906	90.893	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	367	GLU	-1	-0.973	-0.979	91.805	0.001	0.001	0.000	0.000	0.000	0.000
370	A	368	ASP	-1	-0.864	-0.931	90.649	0.002	0.002	0.000	0.000	0.000	0.000
371	A	369	PHE	0	-0.037	-0.021	87.337	0.000	0.000	0.000	0.000	0.000	0.000
372	A	370	ALA	0	0.005	0.000	87.990	0.000	0.000	0.000	0.000	0.000	0.000
373	A	371	THR	0	-0.033	-0.026	90.059	0.000	0.000	0.000	0.000	0.000	0.000
374	A	372	VAL	0	0.028	0.011	84.867	0.000	0.000	0.000	0.000	0.000	0.000
375	A	373	LEU	0	-0.047	-0.025	84.040	0.000	0.000	0.000	0.000	0.000	0.000
376	A	374	VAL	0	-0.099	-0.047	85.042	0.000	0.000	0.000	0.000	0.000	0.000
377	A	375	GLU	-1	-0.965	-0.984	83.895	0.003	0.003	0.000	0.000	0.000	0.000
378	A	376	GLU	-1	-0.916	-0.964	80.088	0.000	0.000	0.000	0.000	0.000	0.000
379	A	377	GLY	0	0.008	0.009	79.923	0.000	0.000	0.000	0.000	0.000	0.000
380	A	378	PHE	0	-0.108	-0.051	77.979	0.000	0.000	0.000	0.000	0.000	0.000
381	A	379	SER	0	-0.072	-0.054	75.745	0.000	0.000	0.000	0.000	0.000	0.000
382	A	380	THR	0	0.021	0.014	73.216	0.000	0.000	0.000	0.000	0.000	0.000
383	A	381	LEU	0	0.035	0.008	76.504	0.001	0.001	0.000	0.000	0.000	0.000
384	A	382	GLU	-1	-0.879	-0.939	72.459	0.000	0.000	0.000	0.000	0.000	0.000
385	A	383	GLU	-1	-0.880	-0.921	72.426	0.003	0.003	0.000	0.000	0.000	0.000
386	A	384	LEU	0	0.031	0.018	74.165	0.001	0.001	0.000	0.000	0.000	0.000
387	A	385	ALA	0	-0.056	-0.024	74.714	0.001	0.001	0.000	0.000	0.000	0.000
388	A	386	TYR	0	-0.065	-0.036	67.543	0.001	0.001	0.000	0.000	0.000	0.000
389	A	387	VAL	0	0.018	0.028	72.163	0.001	0.001	0.000	0.000	0.000	0.000
390	A	388	PRO	0	-0.036	-0.028	72.858	0.000	0.000	0.000	0.000	0.000	0.000
391	A	389	MET	0	0.056	0.017	75.450	0.000	0.000	0.000	0.000	0.000	0.000
392	A	390	LYS	1	0.804	0.880	78.361	-0.006	-0.006	0.000	0.000	0.000	0.000
393	A	391	GLU	-1	-0.884	-0.930	78.152	0.006	0.006	0.000	0.000	0.000	0.000
394	A	392	LEU	0	0.025	0.029	79.444	0.000	0.000	0.000	0.000	0.000	0.000
395	A	393	LEU	0	-0.069	-0.026	82.855	0.000	0.000	0.000	0.000	0.000	0.000
396	A	394	GLU	-1	-0.847	-0.926	85.386	0.005	0.005	0.000	0.000	0.000	0.000
397	A	395	ILE	0	-0.129	-0.069	88.300	0.000	0.000	0.000	0.000	0.000	0.000
398	A	396	GLU	-1	-0.926	-0.959	90.893	0.002	0.002	0.000	0.000	0.000	0.000
399	A	397	GLY	0	0.007	0.026	90.508	0.000	0.000	0.000	0.000	0.000	0.000
400	A	398	LEU	0	-0.080	-0.056	90.534	0.000	0.000	0.000	0.000	0.000	0.000
401	A	399	ASP	-1	-0.782	-0.882	86.927	0.005	0.005	0.000	0.000	0.000	0.000
402	A	400	GLU	-1	-0.978	-0.999	85.975	0.007	0.007	0.000	0.000	0.000	0.000
403	A	401	PRO	0	-0.095	-0.050	86.248	0.000	0.000	0.000	0.000	0.000	0.000
404	A	402	THR	0	-0.021	-0.028	87.309	0.000	0.000	0.000	0.000	0.000	0.000
405	A	403	VAL	0	0.037	0.033	81.547	0.000	0.000	0.000	0.000	0.000	0.000
406	A	404	GLU	-1	-0.903	-0.949	80.960	0.006	0.006	0.000	0.000	0.000	0.000
407	A	405	ALA	0	-0.025	-0.018	81.765	0.000	0.000	0.000	0.000	0.000	0.000
408	A	406	LEU	0	0.017	0.015	80.792	0.000	0.000	0.000	0.000	0.000	0.000
409	A	407	ARG	1	0.884	0.932	75.427	-0.005	-0.005	0.000	0.000	0.000	0.000
410	A	408	GLU	-1	-0.831	-0.910	78.134	0.004	0.004	0.000	0.000	0.000	0.000
411	A	409	ARG	1	0.891	0.953	79.078	-0.002	-0.002	0.000	0.000	0.000	0.000
412	A	410	ALA	0	0.059	0.039	77.697	0.000	0.000	0.000	0.000	0.000	0.000
413	A	411	LYS	1	0.821	0.886	73.949	-0.005	-0.005	0.000	0.000	0.000	0.000
414	A	412	ASN	0	-0.033	-0.016	74.235	0.000	0.000	0.000	0.000	0.000	0.000
415	A	413	ALA	0	0.013	0.018	75.783	0.000	0.000	0.000	0.000	0.000	0.000
416	A	414	LEU	0	0.051	0.034	70.810	0.000	0.000	0.000	0.000	0.000	0.000
417	A	415	ALA	0	-0.009	0.002	71.136	0.000	0.000	0.000	0.000	0.000	0.000
418	A	416	THR	0	-0.064	-0.048	71.612	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	417	ILE	0	-0.008	0.000	71.263	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	418	ALA	0	-0.008	-0.007	67.675	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	419	GLN	0	-0.073	-0.043	68.008	0.000	0.000	0.000	0.000	0.000	0.000
422	A	420	ALA	0	-0.008	-0.002	69.618	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	421	GLN	0	-0.034	-0.004	63.256	0.000	0.000	0.000	0.000	0.000	0.000
424	A	422	GLU	-1	-0.939	-0.969	63.043	-0.008	-0.008	0.000	0.000	0.000	0.000
425	A	423	GLU	-1	-0.979	-0.993	66.367	-0.006	-0.006	0.000	0.000	0.000	0.000
426	A	424	SER	0	-0.059	-0.007	68.196	0.000	0.000	0.000	0.000	0.000	0.000
427	A	425	LEU	0	-0.052	-0.050	70.085	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	426	GLY	0	-0.034	0.002	68.362	-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:-1:GLY)