FMO DATABASE

FMODB ID: R9Y68

Calculation Name: 4F11-A-Xray372

Preferred Name: GABA-B receptor 2

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 4F11

Chain ID: A

ChEMBL ID: CHEMBL5034

UniProt ID: O75899

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	420
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7704061.124637
FMO2-HF: Nuclear repulsion	7535340.067784
FMO2-HF: Total energy	-168721.056853
FMO2-MP2: Total energy	-169212.932902

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:52:SER)

Summations of interaction energy for fragment #1(A:52:SER)

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.
1.276	2.45	-0.011	-0.445	-0.718	0.001

Interaction energy analysis for fragmet #1(A:52:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.008 / q_NPA : -0.021

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	54	PRO	0	0.003	-0.003	3.828	0.329	1.503	-0.011	-0.445	-0.718	0.001
4	A	55	PRO	0	0.008	0.013	6.286	0.500	0.500	0.000	0.000	0.000	0.000
5	A	56	LEU	0	0.000	-0.008	8.720	-0.183	-0.183	0.000	0.000	0.000	0.000
6	A	57	SER	0	-0.011	-0.031	12.426	0.069	0.069	0.000	0.000	0.000	0.000
7	A	58	ILE	0	-0.036	-0.015	14.171	-0.059	-0.059	0.000	0.000	0.000	0.000
8	A	59	MET	0	0.004	0.011	17.756	0.043	0.043	0.000	0.000	0.000	0.000
9	A	60	GLY	0	0.032	0.017	20.526	-0.013	-0.013	0.000	0.000	0.000	0.000
10	A	61	LEU	0	0.000	-0.001	22.402	0.000	0.000	0.000	0.000	0.000	0.000
11	A	62	MET	0	0.005	-0.006	24.588	-0.001	-0.001	0.000	0.000	0.000	0.000
12	A	63	PRO	0	-0.044	0.006	28.525	0.004	0.004	0.000	0.000	0.000	0.000
13	A	64	LEU	0	-0.006	-0.013	25.126	0.007	0.007	0.000	0.000	0.000	0.000
14	A	65	THR	0	0.042	0.023	29.511	0.011	0.011	0.000	0.000	0.000	0.000
15	A	66	LYS	1	0.918	0.935	31.847	-0.172	-0.172	0.000	0.000	0.000	0.000
16	A	67	GLU	-1	-0.896	-0.929	34.319	0.107	0.107	0.000	0.000	0.000	0.000
17	A	68	VAL	0	-0.002	0.012	35.115	-0.008	-0.008	0.000	0.000	0.000	0.000
18	A	69	ALA	0	0.043	0.023	36.603	0.006	0.006	0.000	0.000	0.000	0.000
19	A	70	LYS	1	1.006	0.976	35.834	-0.068	-0.068	0.000	0.000	0.000	0.000
20	A	71	GLY	0	0.010	0.019	32.837	0.004	0.004	0.000	0.000	0.000	0.000
21	A	72	SER	0	-0.034	-0.020	32.259	0.012	0.012	0.000	0.000	0.000	0.000
22	A	73	ILE	0	0.005	0.000	32.086	0.007	0.007	0.000	0.000	0.000	0.000
23	A	74	GLY	0	0.028	0.015	29.138	0.007	0.007	0.000	0.000	0.000	0.000
24	A	75	ARG	1	0.875	0.919	28.167	-0.140	-0.140	0.000	0.000	0.000	0.000
25	A	76	GLY	0	0.036	0.028	29.270	0.012	0.012	0.000	0.000	0.000	0.000
26	A	77	VAL	0	-0.043	-0.023	27.155	0.004	0.004	0.000	0.000	0.000	0.000
27	A	78	LEU	0	0.029	0.015	22.865	0.007	0.007	0.000	0.000	0.000	0.000
28	A	79	PRO	0	0.038	0.028	24.163	0.024	0.024	0.000	0.000	0.000	0.000
29	A	80	ALA	0	0.007	0.009	25.205	0.016	0.016	0.000	0.000	0.000	0.000
30	A	81	VAL	0	-0.022	-0.017	21.210	0.007	0.007	0.000	0.000	0.000	0.000
31	A	82	GLU	-1	-0.885	-0.936	20.357	0.395	0.395	0.000	0.000	0.000	0.000
32	A	83	LEU	0	0.015	0.022	20.510	0.039	0.039	0.000	0.000	0.000	0.000
33	A	84	ALA	0	-0.005	0.004	21.738	0.015	0.015	0.000	0.000	0.000	0.000
34	A	85	ILE	0	-0.016	-0.022	15.869	0.020	0.020	0.000	0.000	0.000	0.000
35	A	86	GLU	-1	-0.885	-0.937	16.752	0.533	0.533	0.000	0.000	0.000	0.000
36	A	87	GLN	0	-0.072	-0.051	17.106	0.053	0.053	0.000	0.000	0.000	0.000
37	A	88	ILE	0	0.015	0.004	15.459	0.010	0.010	0.000	0.000	0.000	0.000
38	A	89	ARG	1	0.863	0.919	12.307	-0.908	-0.908	0.000	0.000	0.000	0.000
39	A	90	ASN	0	-0.011	0.003	13.334	0.146	0.146	0.000	0.000	0.000	0.000
40	A	91	GLU	-1	-0.841	-0.911	15.421	0.293	0.293	0.000	0.000	0.000	0.000
41	A	92	SER	0	-0.027	-0.017	11.757	0.001	0.001	0.000	0.000	0.000	0.000
42	A	93	LEU	0	-0.014	0.010	13.448	-0.101	-0.101	0.000	0.000	0.000	0.000
43	A	94	LEU	0	-0.016	0.003	13.123	-0.069	-0.069	0.000	0.000	0.000	0.000
44	A	95	ARG	1	0.904	0.973	10.286	-0.324	-0.324	0.000	0.000	0.000	0.000
45	A	96	PRO	0	-0.041	-0.026	7.700	-0.021	-0.021	0.000	0.000	0.000	0.000
46	A	97	TYR	0	0.025	-0.014	7.393	-0.100	-0.100	0.000	0.000	0.000	0.000
47	A	98	PHE	0	-0.015	-0.006	6.065	0.370	0.370	0.000	0.000	0.000	0.000
48	A	99	LEU	0	0.044	0.022	10.174	-0.145	-0.145	0.000	0.000	0.000	0.000
49	A	100	ASP	-1	-0.827	-0.874	10.651	0.615	0.615	0.000	0.000	0.000	0.000
50	A	101	LEU	0	0.007	0.012	12.721	-0.097	-0.097	0.000	0.000	0.000	0.000
51	A	102	ARG	1	0.875	0.938	11.795	-0.287	-0.287	0.000	0.000	0.000	0.000
52	A	103	LEU	0	-0.006	-0.006	17.589	-0.036	-0.036	0.000	0.000	0.000	0.000
53	A	104	TYR	0	-0.006	-0.022	18.407	0.008	0.008	0.000	0.000	0.000	0.000
54	A	105	ASP	-1	-0.711	-0.864	23.987	0.128	0.128	0.000	0.000	0.000	0.000
55	A	106	THR	0	-0.011	-0.020	27.576	-0.013	-0.013	0.000	0.000	0.000	0.000
56	A	107	GLU	-1	-0.807	-0.895	30.345	0.081	0.081	0.000	0.000	0.000	0.000
57	A	108	CYS	0	-0.143	-0.075	32.904	-0.010	-0.010	0.000	0.000	0.000	0.000
58	A	109	ASP	-1	-0.717	-0.868	34.354	0.047	0.047	0.000	0.000	0.000	0.000
59	A	110	ASN	0	0.018	0.023	34.587	0.003	0.003	0.000	0.000	0.000	0.000
60	A	111	ALA	0	0.013	0.017	34.914	-0.003	-0.003	0.000	0.000	0.000	0.000
61	A	112	LYS	1	0.814	0.880	32.356	-0.082	-0.082	0.000	0.000	0.000	0.000
62	A	113	GLY	0	0.020	0.003	30.734	0.005	0.005	0.000	0.000	0.000	0.000
63	A	114	LEU	0	0.001	0.013	29.802	0.000	0.000	0.000	0.000	0.000	0.000
64	A	115	LYS	1	0.941	0.976	29.426	-0.057	-0.057	0.000	0.000	0.000	0.000
65	A	116	ALA	0	-0.010	0.000	26.763	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	117	PHE	0	0.002	-0.003	25.430	0.004	0.004	0.000	0.000	0.000	0.000
67	A	118	TYR	0	0.020	-0.013	25.240	-0.011	-0.011	0.000	0.000	0.000	0.000
68	A	119	ASP	-1	-0.860	-0.934	24.962	0.027	0.027	0.000	0.000	0.000	0.000
69	A	120	ALA	0	-0.001	0.006	21.443	-0.002	-0.002	0.000	0.000	0.000	0.000
70	A	121	ILE	0	-0.050	-0.021	20.569	-0.009	-0.009	0.000	0.000	0.000	0.000
71	A	122	LYS	1	0.817	0.912	21.531	-0.024	-0.024	0.000	0.000	0.000	0.000
72	A	123	TYR	0	-0.037	-0.031	20.724	-0.017	-0.017	0.000	0.000	0.000	0.000
73	A	124	GLY	0	-0.005	0.025	17.783	0.025	0.025	0.000	0.000	0.000	0.000
74	A	125	PRO	0	-0.028	-0.010	13.233	-0.035	-0.035	0.000	0.000	0.000	0.000
75	A	126	ASN	0	0.040	0.002	14.675	0.032	0.032	0.000	0.000	0.000	0.000
76	A	127	HIS	0	-0.008	0.011	15.450	0.040	0.040	0.000	0.000	0.000	0.000
77	A	128	LEU	0	0.021	0.009	14.626	-0.026	-0.026	0.000	0.000	0.000	0.000
78	A	129	MET	0	-0.007	-0.005	18.657	0.002	0.002	0.000	0.000	0.000	0.000
79	A	130	VAL	0	-0.004	0.000	20.925	0.021	0.021	0.000	0.000	0.000	0.000
80	A	131	PHE	0	0.024	0.006	22.299	0.000	0.000	0.000	0.000	0.000	0.000
81	A	132	GLY	0	0.021	0.013	24.109	0.015	0.015	0.000	0.000	0.000	0.000
82	A	133	GLY	0	0.003	0.009	27.240	-0.015	-0.015	0.000	0.000	0.000	0.000
83	A	134	VAL	0	0.003	-0.003	30.433	0.000	0.000	0.000	0.000	0.000	0.000
84	A	136	PRO	0	0.065	0.037	35.697	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	137	SER	0	0.017	0.010	37.883	-0.003	-0.003	0.000	0.000	0.000	0.000
86	A	138	VAL	0	0.010	0.006	32.518	-0.004	-0.004	0.000	0.000	0.000	0.000
87	A	139	THR	0	-0.022	-0.030	32.012	-0.001	-0.001	0.000	0.000	0.000	0.000
88	A	140	SER	0	-0.005	-0.007	33.642	-0.006	-0.006	0.000	0.000	0.000	0.000
89	A	141	ILE	0	-0.004	0.004	34.549	-0.006	-0.006	0.000	0.000	0.000	0.000
90	A	142	ILE	0	-0.020	-0.003	28.850	-0.005	-0.005	0.000	0.000	0.000	0.000
91	A	143	ALA	0	0.033	0.001	31.449	-0.008	-0.008	0.000	0.000	0.000	0.000
92	A	144	GLU	-1	-0.802	-0.882	32.475	-0.008	-0.008	0.000	0.000	0.000	0.000
93	A	145	SER	0	-0.090	-0.038	31.261	-0.007	-0.007	0.000	0.000	0.000	0.000
94	A	146	LEU	0	-0.016	0.007	27.455	-0.007	-0.007	0.000	0.000	0.000	0.000
95	A	147	GLN	0	0.022	0.004	28.586	-0.004	-0.004	0.000	0.000	0.000	0.000
96	A	148	GLY	0	-0.020	-0.006	29.929	-0.010	-0.010	0.000	0.000	0.000	0.000
97	A	149	TRP	0	-0.010	-0.011	24.959	-0.013	-0.013	0.000	0.000	0.000	0.000
98	A	150	ASN	0	-0.076	-0.034	24.662	-0.006	-0.006	0.000	0.000	0.000	0.000
99	A	151	LEU	0	-0.006	0.005	21.836	-0.005	-0.005	0.000	0.000	0.000	0.000
100	A	152	VAL	0	0.023	0.014	24.540	0.009	0.009	0.000	0.000	0.000	0.000
101	A	153	GLN	0	0.013	-0.005	24.800	0.001	0.001	0.000	0.000	0.000	0.000
102	A	154	LEU	0	-0.002	0.006	25.392	-0.003	-0.003	0.000	0.000	0.000	0.000
103	A	155	SER	0	-0.021	-0.012	26.941	0.016	0.016	0.000	0.000	0.000	0.000
104	A	156	PHE	0	0.010	-0.006	26.702	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	157	ALA	0	-0.006	-0.030	30.672	0.003	0.003	0.000	0.000	0.000	0.000
106	A	158	ALA	0	0.005	0.024	33.347	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	159	THR	0	-0.006	-0.008	35.316	-0.003	-0.003	0.000	0.000	0.000	0.000
108	A	160	THR	0	0.020	0.009	38.508	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	161	PRO	0	0.028	0.037	39.792	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	162	VAL	0	0.046	0.026	40.673	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	163	LEU	0	-0.054	-0.027	35.002	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	164	ALA	0	0.000	0.013	37.459	-0.003	-0.003	0.000	0.000	0.000	0.000
113	A	165	ASP	-1	-0.825	-0.906	39.740	-0.011	-0.011	0.000	0.000	0.000	0.000
114	A	166	LYS	1	0.725	0.867	34.853	-0.013	-0.013	0.000	0.000	0.000	0.000
115	A	167	LYS	1	0.918	0.955	37.993	0.009	0.009	0.000	0.000	0.000	0.000
116	A	168	LYS	1	0.827	0.923	39.024	-0.003	-0.003	0.000	0.000	0.000	0.000
117	A	169	TYR	0	-0.042	-0.037	35.046	0.000	0.000	0.000	0.000	0.000	0.000
118	A	170	PRO	0	0.017	0.010	33.939	0.003	0.003	0.000	0.000	0.000	0.000
119	A	171	TYR	0	-0.012	-0.021	27.572	-0.003	-0.003	0.000	0.000	0.000	0.000
120	A	172	PHE	0	0.019	0.010	29.466	0.006	0.006	0.000	0.000	0.000	0.000
121	A	173	PHE	0	0.031	0.012	29.203	-0.003	-0.003	0.000	0.000	0.000	0.000
122	A	174	ARG	1	0.749	0.835	30.756	-0.028	-0.028	0.000	0.000	0.000	0.000
123	A	175	THR	0	0.010	0.001	28.893	-0.006	-0.006	0.000	0.000	0.000	0.000
124	A	176	VAL	0	-0.008	0.008	31.967	0.001	0.001	0.000	0.000	0.000	0.000
125	A	177	PRO	0	-0.006	0.000	34.967	-0.006	-0.006	0.000	0.000	0.000	0.000
126	A	178	SER	0	-0.016	-0.005	38.430	0.003	0.003	0.000	0.000	0.000	0.000
127	A	179	ASP	-1	-0.732	-0.864	40.066	0.046	0.046	0.000	0.000	0.000	0.000
128	A	180	ASN	0	0.051	0.013	43.342	0.001	0.001	0.000	0.000	0.000	0.000
129	A	181	ALA	0	-0.060	-0.014	41.678	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	182	VAL	0	0.026	0.009	43.836	0.001	0.001	0.000	0.000	0.000	0.000
131	A	183	ASN	0	-0.017	-0.018	46.900	0.001	0.001	0.000	0.000	0.000	0.000
132	A	184	PRO	0	-0.005	-0.001	45.895	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	185	ALA	0	0.008	0.006	46.873	0.000	0.000	0.000	0.000	0.000	0.000
134	A	186	ILE	0	0.005	-0.003	48.878	0.000	0.000	0.000	0.000	0.000	0.000
135	A	187	LEU	0	-0.010	0.008	51.804	0.000	0.000	0.000	0.000	0.000	0.000
136	A	188	LYS	1	0.826	0.904	51.075	-0.024	-0.024	0.000	0.000	0.000	0.000
137	A	189	LEU	0	0.006	0.001	53.259	0.000	0.000	0.000	0.000	0.000	0.000
138	A	190	LEU	0	-0.015	-0.009	54.826	0.000	0.000	0.000	0.000	0.000	0.000
139	A	191	LYS	1	0.853	0.912	54.896	-0.015	-0.015	0.000	0.000	0.000	0.000
140	A	192	HIS	0	-0.075	-0.018	56.113	0.000	0.000	0.000	0.000	0.000	0.000
141	A	193	TYR	0	-0.015	-0.021	57.300	0.000	0.000	0.000	0.000	0.000	0.000
142	A	194	GLN	0	-0.053	-0.018	60.821	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	195	TRP	0	-0.023	-0.021	58.222	0.000	0.000	0.000	0.000	0.000	0.000
144	A	196	LYS	1	0.886	0.922	61.205	-0.013	-0.013	0.000	0.000	0.000	0.000
145	A	197	ARG	1	0.800	0.903	63.463	-0.016	-0.016	0.000	0.000	0.000	0.000
146	A	198	VAL	0	-0.013	-0.006	58.977	0.001	0.001	0.000	0.000	0.000	0.000
147	A	199	GLY	0	0.050	0.030	62.125	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	200	THR	0	-0.061	-0.032	57.489	0.001	0.001	0.000	0.000	0.000	0.000
149	A	201	LEU	0	0.026	0.014	58.071	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	202	THR	0	-0.029	-0.018	53.663	0.002	0.002	0.000	0.000	0.000	0.000
151	A	203	GLN	0	0.007	0.001	52.852	0.000	0.000	0.000	0.000	0.000	0.000
152	A	204	ASP	-1	-0.871	-0.928	53.940	0.018	0.018	0.000	0.000	0.000	0.000
153	A	205	VAL	0	-0.043	-0.035	48.889	0.000	0.000	0.000	0.000	0.000	0.000
154	A	206	GLN	0	-0.029	-0.016	44.838	0.002	0.002	0.000	0.000	0.000	0.000
155	A	207	ARG	1	0.753	0.860	42.740	-0.045	-0.045	0.000	0.000	0.000	0.000
156	A	208	PHE	0	0.055	0.023	46.933	0.001	0.001	0.000	0.000	0.000	0.000
157	A	209	SER	0	0.027	0.005	49.984	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	210	GLU	-1	-0.824	-0.921	44.985	0.016	0.016	0.000	0.000	0.000	0.000
159	A	211	VAL	0	0.010	0.020	46.447	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	212	ARG	1	0.899	0.936	48.754	-0.016	-0.016	0.000	0.000	0.000	0.000
161	A	213	ASN	0	-0.051	-0.027	49.820	-0.002	-0.002	0.000	0.000	0.000	0.000
162	A	214	ASP	-1	-0.871	-0.929	46.630	0.016	0.016	0.000	0.000	0.000	0.000
163	A	215	LEU	0	0.019	0.009	49.609	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	216	THR	0	-0.006	-0.009	52.269	0.000	0.000	0.000	0.000	0.000	0.000
165	A	217	GLY	0	-0.019	0.001	51.352	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	218	VAL	0	-0.020	-0.014	49.118	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	219	LEU	0	-0.041	-0.018	51.767	0.000	0.000	0.000	0.000	0.000	0.000
168	A	220	TYR	0	-0.050	-0.021	52.786	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	221	GLY	0	-0.006	-0.003	56.313	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	222	GLU	-1	-0.807	-0.882	54.569	0.012	0.012	0.000	0.000	0.000	0.000
171	A	223	ASP	-1	-0.886	-0.915	58.588	0.010	0.010	0.000	0.000	0.000	0.000
172	A	224	ILE	0	-0.057	-0.054	57.564	0.001	0.001	0.000	0.000	0.000	0.000
173	A	225	GLU	-1	-0.881	-0.931	60.917	0.010	0.010	0.000	0.000	0.000	0.000
174	A	226	ILE	0	-0.054	-0.041	57.453	0.001	0.001	0.000	0.000	0.000	0.000
175	A	227	SER	0	0.014	0.013	62.039	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	228	ASP	-1	-0.837	-0.932	63.909	0.014	0.014	0.000	0.000	0.000	0.000
177	A	229	THR	0	-0.068	-0.027	59.468	0.001	0.001	0.000	0.000	0.000	0.000
178	A	230	GLU	-1	-0.755	-0.863	61.302	0.015	0.015	0.000	0.000	0.000	0.000
179	A	231	SER	0	-0.004	-0.028	58.230	0.001	0.001	0.000	0.000	0.000	0.000
180	A	232	PHE	0	-0.023	0.005	56.956	0.000	0.000	0.000	0.000	0.000	0.000
181	A	233	SER	0	0.049	0.041	57.585	0.001	0.001	0.000	0.000	0.000	0.000
182	A	234	ASN	0	-0.008	-0.032	57.571	0.003	0.003	0.000	0.000	0.000	0.000
183	A	235	ASP	-1	-0.853	-0.940	59.959	0.024	0.024	0.000	0.000	0.000	0.000
184	A	236	PRO	0	0.015	0.021	60.543	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	237	CYS	0	0.032	-0.003	62.549	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	238	THR	0	-0.003	0.008	66.166	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	239	SER	0	0.007	-0.014	63.068	-0.001	-0.001	0.000	0.000	0.000	0.000
188	A	240	VAL	0	-0.006	-0.004	63.421	0.000	0.000	0.000	0.000	0.000	0.000
189	A	241	LYS	1	0.881	0.929	65.764	-0.019	-0.019	0.000	0.000	0.000	0.000
190	A	242	LYS	1	0.752	0.869	66.286	-0.015	-0.015	0.000	0.000	0.000	0.000
191	A	243	LEU	0	0.028	0.019	62.684	0.000	0.000	0.000	0.000	0.000	0.000
192	A	244	LYS	1	0.839	0.908	67.302	-0.020	-0.020	0.000	0.000	0.000	0.000
193	A	245	GLY	0	-0.053	-0.019	70.082	0.000	0.000	0.000	0.000	0.000	0.000
194	A	246	ASN	0	-0.079	-0.037	68.397	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	247	ASP	-1	-0.793	-0.901	70.421	0.016	0.016	0.000	0.000	0.000	0.000
196	A	248	VAL	0	-0.017	0.015	64.120	0.000	0.000	0.000	0.000	0.000	0.000
197	A	249	ARG	1	0.780	0.878	66.283	-0.018	-0.018	0.000	0.000	0.000	0.000
198	A	250	ILE	0	0.017	0.011	60.099	0.001	0.001	0.000	0.000	0.000	0.000
199	A	251	ILE	0	-0.022	-0.005	59.646	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	252	LEU	0	0.000	-0.004	55.509	0.002	0.002	0.000	0.000	0.000	0.000
201	A	253	GLY	0	-0.010	-0.015	55.834	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	254	GLN	0	0.003	-0.020	49.725	0.003	0.003	0.000	0.000	0.000	0.000
203	A	255	PHE	0	0.063	0.022	52.365	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	256	ASP	-1	-0.802	-0.875	50.130	0.041	0.041	0.000	0.000	0.000	0.000
205	A	257	GLN	0	0.084	0.022	49.246	0.000	0.000	0.000	0.000	0.000	0.000
206	A	258	ASN	0	-0.032	-0.010	52.224	0.000	0.000	0.000	0.000	0.000	0.000
207	A	259	MET	0	-0.046	-0.012	54.465	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	260	ALA	0	0.036	0.030	54.439	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	261	ALA	0	0.026	0.018	56.466	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	262	LYS	1	0.862	0.916	58.809	-0.032	-0.032	0.000	0.000	0.000	0.000
211	A	263	VAL	0	0.020	0.010	58.388	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	264	PHE	0	0.052	0.017	56.994	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	265	CYS	0	-0.095	-0.025	62.065	-0.001	-0.001	0.000	0.000	0.000	0.000
214	A	267	ALA	0	0.042	0.024	63.994	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	268	TYR	0	0.010	0.005	66.025	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	269	GLU	-1	-0.884	-0.934	67.974	0.025	0.025	0.000	0.000	0.000	0.000
217	A	270	GLU	-1	-0.818	-0.897	68.922	0.019	0.019	0.000	0.000	0.000	0.000
218	A	271	ASN	0	-0.084	-0.043	70.472	-0.001	-0.001	0.000	0.000	0.000	0.000
219	A	272	MET	0	-0.001	0.034	66.054	0.000	0.000	0.000	0.000	0.000	0.000
220	A	273	TYR	0	-0.012	-0.005	65.503	0.001	0.001	0.000	0.000	0.000	0.000
221	A	274	GLY	0	0.045	0.030	65.898	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	275	SER	0	0.000	-0.016	66.543	0.000	0.000	0.000	0.000	0.000	0.000
223	A	276	LYS	1	0.878	0.944	68.087	-0.020	-0.020	0.000	0.000	0.000	0.000
224	A	277	TYR	0	-0.045	-0.012	65.023	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	278	GLN	0	-0.014	-0.011	58.739	0.001	0.001	0.000	0.000	0.000	0.000
226	A	279	TRP	0	-0.018	-0.012	58.685	-0.001	-0.001	0.000	0.000	0.000	0.000
227	A	280	ILE	0	0.010	0.007	53.547	0.002	0.002	0.000	0.000	0.000	0.000
228	A	281	ILE	0	0.002	0.005	53.084	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	282	PRO	0	-0.024	-0.015	48.439	0.002	0.002	0.000	0.000	0.000	0.000
230	A	283	GLY	0	0.048	0.018	48.098	0.000	0.000	0.000	0.000	0.000	0.000
231	A	284	TRP	0	-0.100	-0.053	44.142	0.003	0.003	0.000	0.000	0.000	0.000
232	A	285	TYR	0	-0.030	-0.031	45.643	0.002	0.002	0.000	0.000	0.000	0.000
233	A	286	GLU	-1	-0.894	-0.951	44.278	0.079	0.079	0.000	0.000	0.000	0.000
234	A	287	PRO	0	-0.014	-0.018	46.334	-0.003	-0.003	0.000	0.000	0.000	0.000
235	A	288	SER	0	-0.038	-0.013	49.327	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	289	TRP	0	0.013	0.004	51.144	-0.002	-0.002	0.000	0.000	0.000	0.000
237	A	290	TRP	0	0.046	0.005	52.758	-0.003	-0.003	0.000	0.000	0.000	0.000
238	A	291	GLU	-1	-0.934	-0.962	54.709	0.056	0.056	0.000	0.000	0.000	0.000
239	A	292	GLN	0	-0.030	-0.030	50.011	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	293	VAL	0	0.024	0.041	55.362	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	294	HIS	0	-0.085	-0.034	58.197	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	295	THR	0	-0.064	-0.045	56.205	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	296	GLU	-1	-0.855	-0.905	52.439	0.058	0.058	0.000	0.000	0.000	0.000
244	A	297	ALA	0	-0.052	-0.039	56.678	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	298	ASN	0	-0.101	-0.072	59.926	0.000	0.000	0.000	0.000	0.000	0.000
246	A	299	SER	0	0.039	0.082	60.639	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	300	SER	0	-0.012	-0.032	61.195	0.001	0.001	0.000	0.000	0.000	0.000
248	A	301	ARG	1	0.921	0.919	63.429	-0.025	-0.025	0.000	0.000	0.000	0.000
249	A	303	LEU	0	0.039	0.012	65.978	0.001	0.001	0.000	0.000	0.000	0.000
250	A	304	ARG	1	1.007	0.999	59.983	-0.046	-0.046	0.000	0.000	0.000	0.000
251	A	305	LYS	1	0.968	0.984	63.664	-0.031	-0.031	0.000	0.000	0.000	0.000
252	A	306	ASN	0	-0.033	-0.012	66.175	0.000	0.000	0.000	0.000	0.000	0.000
253	A	307	LEU	0	0.037	0.017	59.828	0.000	0.000	0.000	0.000	0.000	0.000
254	A	308	LEU	0	0.007	-0.002	59.639	0.000	0.000	0.000	0.000	0.000	0.000
255	A	309	ALA	0	-0.053	-0.018	62.682	0.000	0.000	0.000	0.000	0.000	0.000
256	A	310	ALA	0	-0.006	-0.004	63.918	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	311	MET	0	-0.080	-0.016	56.720	0.000	0.000	0.000	0.000	0.000	0.000
258	A	312	GLU	-1	-0.801	-0.886	59.794	0.041	0.041	0.000	0.000	0.000	0.000
259	A	313	GLY	0	0.046	0.029	59.848	-0.002	-0.002	0.000	0.000	0.000	0.000
260	A	314	TYR	0	-0.079	-0.060	52.908	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	315	ILE	0	0.016	-0.003	53.176	0.002	0.002	0.000	0.000	0.000	0.000
262	A	316	GLY	0	0.008	0.019	51.046	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	317	VAL	0	-0.002	0.000	47.437	0.001	0.001	0.000	0.000	0.000	0.000
264	A	318	ASP	-1	-0.795	-0.897	42.864	0.066	0.066	0.000	0.000	0.000	0.000
265	A	319	PHE	0	0.014	0.010	37.450	0.000	0.000	0.000	0.000	0.000	0.000
266	A	320	GLU	-1	-0.798	-0.881	40.506	0.073	0.073	0.000	0.000	0.000	0.000
267	A	321	PRO	0	-0.067	-0.027	37.462	0.002	0.002	0.000	0.000	0.000	0.000
268	A	322	LEU	0	-0.011	-0.012	33.579	0.008	0.008	0.000	0.000	0.000	0.000
269	A	323	SER	0	0.037	0.021	36.574	-0.007	-0.007	0.000	0.000	0.000	0.000
270	A	324	SER	0	-0.006	-0.012	38.408	0.006	0.006	0.000	0.000	0.000	0.000
271	A	325	LYS	1	0.802	0.885	39.226	-0.059	-0.059	0.000	0.000	0.000	0.000
272	A	326	GLN	0	-0.015	-0.014	38.330	0.010	0.010	0.000	0.000	0.000	0.000
273	A	327	ILE	0	-0.002	0.004	35.336	0.003	0.003	0.000	0.000	0.000	0.000
274	A	328	LYS	1	0.960	0.968	31.775	-0.109	-0.109	0.000	0.000	0.000	0.000
275	A	329	THR	0	-0.022	-0.018	29.795	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	330	ILE	0	-0.021	-0.015	25.021	0.003	0.003	0.000	0.000	0.000	0.000
277	A	331	SER	0	-0.014	0.007	24.846	0.008	0.008	0.000	0.000	0.000	0.000
278	A	332	GLY	0	0.025	0.020	25.660	0.017	0.017	0.000	0.000	0.000	0.000
279	A	333	LYS	1	0.801	0.900	24.936	-0.267	-0.267	0.000	0.000	0.000	0.000
280	A	334	THR	0	0.000	0.001	30.334	-0.006	-0.006	0.000	0.000	0.000	0.000
281	A	335	PRO	0	0.060	0.027	32.923	0.012	0.012	0.000	0.000	0.000	0.000
282	A	336	GLN	0	0.048	0.029	34.544	0.009	0.009	0.000	0.000	0.000	0.000
283	A	337	GLN	0	-0.035	-0.021	32.008	0.008	0.008	0.000	0.000	0.000	0.000
284	A	338	TYR	0	0.044	0.003	27.865	0.014	0.014	0.000	0.000	0.000	0.000
285	A	339	GLU	-1	-0.901	-0.949	31.118	0.136	0.136	0.000	0.000	0.000	0.000
286	A	340	ARG	1	0.936	0.966	33.667	-0.135	-0.135	0.000	0.000	0.000	0.000
287	A	341	GLU	-1	-0.826	-0.894	26.496	0.267	0.267	0.000	0.000	0.000	0.000
288	A	342	TYR	0	0.013	-0.016	29.162	0.011	0.011	0.000	0.000	0.000	0.000
289	A	343	ASN	0	-0.072	-0.055	30.444	0.002	0.002	0.000	0.000	0.000	0.000
290	A	344	ASN	0	-0.002	0.007	30.265	-0.011	-0.011	0.000	0.000	0.000	0.000
291	A	345	LYS	1	0.823	0.903	22.426	-0.392	-0.392	0.000	0.000	0.000	0.000
292	A	346	ARG	1	0.842	0.933	28.784	-0.152	-0.152	0.000	0.000	0.000	0.000
293	A	347	SER	0	0.048	0.027	30.965	0.003	0.003	0.000	0.000	0.000	0.000
294	A	348	GLY	0	-0.014	-0.014	33.192	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	349	VAL	0	-0.035	-0.009	30.465	-0.010	-0.010	0.000	0.000	0.000	0.000
296	A	350	GLY	0	0.004	0.010	33.654	-0.007	-0.007	0.000	0.000	0.000	0.000
297	A	351	PRO	0	-0.051	-0.019	33.908	0.011	0.011	0.000	0.000	0.000	0.000
298	A	352	SER	0	0.046	0.021	32.820	-0.011	-0.011	0.000	0.000	0.000	0.000
299	A	353	LYS	1	0.898	0.954	34.576	-0.070	-0.070	0.000	0.000	0.000	0.000
300	A	354	PHE	0	0.035	0.002	32.794	-0.004	-0.004	0.000	0.000	0.000	0.000
301	A	355	HIS	0	0.037	0.041	30.375	0.013	0.013	0.000	0.000	0.000	0.000
302	A	356	GLY	0	0.067	0.034	29.576	0.011	0.011	0.000	0.000	0.000	0.000
303	A	357	TYR	0	0.007	-0.016	30.270	0.001	0.001	0.000	0.000	0.000	0.000
304	A	358	ALA	0	-0.034	-0.012	26.883	-0.004	-0.004	0.000	0.000	0.000	0.000
305	A	359	TYR	0	-0.010	-0.004	25.331	0.015	0.015	0.000	0.000	0.000	0.000
306	A	360	ASP	-1	-0.724	-0.861	25.426	0.130	0.130	0.000	0.000	0.000	0.000
307	A	361	GLY	0	0.015	0.008	26.100	-0.008	-0.008	0.000	0.000	0.000	0.000
308	A	362	ILE	0	-0.005	0.000	19.981	-0.011	-0.011	0.000	0.000	0.000	0.000
309	A	363	TRP	0	0.036	0.014	21.367	0.000	0.000	0.000	0.000	0.000	0.000
310	A	364	VAL	0	-0.029	-0.008	23.283	-0.016	-0.016	0.000	0.000	0.000	0.000
311	A	365	ILE	0	0.000	0.009	19.035	-0.022	-0.022	0.000	0.000	0.000	0.000
312	A	366	ALA	0	0.003	0.002	18.623	-0.024	-0.024	0.000	0.000	0.000	0.000
313	A	367	LYS	1	0.904	0.932	19.461	-0.109	-0.109	0.000	0.000	0.000	0.000
314	A	368	THR	0	-0.022	-0.014	22.190	-0.028	-0.028	0.000	0.000	0.000	0.000
315	A	369	LEU	0	-0.001	-0.009	15.919	-0.032	-0.032	0.000	0.000	0.000	0.000
316	A	370	GLN	0	0.011	0.005	17.734	-0.040	-0.040	0.000	0.000	0.000	0.000
317	A	371	ARG	1	0.987	0.994	19.277	-0.020	-0.020	0.000	0.000	0.000	0.000
318	A	372	ALA	0	-0.021	-0.008	19.557	-0.023	-0.023	0.000	0.000	0.000	0.000
319	A	373	MET	0	-0.041	-0.022	13.435	-0.047	-0.047	0.000	0.000	0.000	0.000
320	A	374	GLU	-1	-0.929	-0.959	18.644	-0.107	-0.107	0.000	0.000	0.000	0.000
321	A	375	THR	0	-0.019	-0.013	21.690	-0.007	-0.007	0.000	0.000	0.000	0.000
322	A	376	LEU	0	-0.041	-0.018	17.923	-0.006	-0.006	0.000	0.000	0.000	0.000
323	A	377	HIS	0	-0.009	0.004	18.426	-0.044	-0.044	0.000	0.000	0.000	0.000
324	A	378	ALA	0	-0.002	0.006	20.540	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	379	SER	0	-0.069	-0.030	22.750	0.009	0.009	0.000	0.000	0.000	0.000
326	A	380	SER	0	0.023	-0.009	24.486	-0.020	-0.020	0.000	0.000	0.000	0.000
327	A	381	ARG	1	0.907	0.933	21.704	0.305	0.305	0.000	0.000	0.000	0.000
328	A	382	HIS	1	0.872	0.960	19.264	0.333	0.333	0.000	0.000	0.000	0.000
329	A	383	GLN	0	-0.001	0.013	18.198	-0.039	-0.039	0.000	0.000	0.000	0.000
330	A	384	ARG	1	0.897	0.922	10.858	1.145	1.145	0.000	0.000	0.000	0.000
331	A	385	ILE	0	0.074	0.029	13.646	0.001	0.001	0.000	0.000	0.000	0.000
332	A	386	GLN	0	-0.016	-0.011	7.960	0.218	0.218	0.000	0.000	0.000	0.000
333	A	387	ASP	-1	-0.808	-0.875	11.711	-0.915	-0.915	0.000	0.000	0.000	0.000
334	A	388	PHE	0	-0.073	-0.023	14.476	0.062	0.062	0.000	0.000	0.000	0.000
335	A	389	ASN	0	-0.017	-0.016	15.353	-0.023	-0.023	0.000	0.000	0.000	0.000
336	A	390	TYR	0	0.008	0.007	16.777	0.033	0.033	0.000	0.000	0.000	0.000
337	A	391	THR	0	0.012	0.001	18.975	-0.040	-0.040	0.000	0.000	0.000	0.000
338	A	392	ASP	-1	-0.745	-0.856	20.670	-0.200	-0.200	0.000	0.000	0.000	0.000
339	A	393	HIS	0	0.033	0.018	23.403	0.016	0.016	0.000	0.000	0.000	0.000
340	A	394	THR	0	-0.088	-0.069	23.776	0.016	0.016	0.000	0.000	0.000	0.000
341	A	395	LEU	0	-0.019	-0.008	18.093	0.013	0.013	0.000	0.000	0.000	0.000
342	A	396	GLY	0	0.064	0.031	22.491	0.017	0.017	0.000	0.000	0.000	0.000
343	A	397	ARG	1	0.871	0.944	24.773	0.100	0.100	0.000	0.000	0.000	0.000
344	A	398	ILE	0	-0.006	0.008	22.546	0.013	0.013	0.000	0.000	0.000	0.000
345	A	399	ILE	0	0.002	0.003	19.847	0.015	0.015	0.000	0.000	0.000	0.000
346	A	400	LEU	0	-0.022	-0.006	23.935	0.019	0.019	0.000	0.000	0.000	0.000
347	A	401	ASN	0	-0.020	-0.027	27.559	0.018	0.018	0.000	0.000	0.000	0.000
348	A	402	ALA	0	0.040	0.030	24.285	0.009	0.009	0.000	0.000	0.000	0.000
349	A	403	MET	0	-0.012	0.006	24.626	0.016	0.016	0.000	0.000	0.000	0.000
350	A	404	ASN	0	-0.029	-0.014	27.306	0.017	0.017	0.000	0.000	0.000	0.000
351	A	405	GLU	-1	-0.894	-0.923	28.190	-0.048	-0.048	0.000	0.000	0.000	0.000
352	A	406	THR	0	-0.110	-0.062	28.037	0.008	0.008	0.000	0.000	0.000	0.000
353	A	407	ASN	0	0.013	-0.001	29.497	0.007	0.007	0.000	0.000	0.000	0.000
354	A	408	PHE	0	-0.016	0.003	26.877	0.000	0.000	0.000	0.000	0.000	0.000
355	A	409	PHE	0	0.041	0.031	30.898	0.000	0.000	0.000	0.000	0.000	0.000
356	A	410	GLY	0	0.044	0.016	30.205	0.011	0.011	0.000	0.000	0.000	0.000
357	A	411	VAL	0	-0.034	-0.016	29.964	-0.007	-0.007	0.000	0.000	0.000	0.000
358	A	412	THR	0	-0.028	-0.025	32.560	-0.007	-0.007	0.000	0.000	0.000	0.000
359	A	413	GLY	0	0.014	0.016	34.656	-0.008	-0.008	0.000	0.000	0.000	0.000
360	A	414	GLN	0	-0.014	-0.028	34.053	0.010	0.010	0.000	0.000	0.000	0.000
361	A	415	VAL	0	-0.024	-0.002	29.845	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	416	VAL	0	0.037	0.009	32.320	-0.004	-0.004	0.000	0.000	0.000	0.000
363	A	417	PHE	0	-0.016	-0.006	29.014	0.005	0.005	0.000	0.000	0.000	0.000
364	A	418	ARG	1	0.958	0.952	34.661	-0.016	-0.016	0.000	0.000	0.000	0.000
365	A	419	ASN	0	-0.002	-0.007	36.690	0.000	0.000	0.000	0.000	0.000	0.000
366	A	420	GLY	0	0.057	0.031	33.329	0.001	0.001	0.000	0.000	0.000	0.000
367	A	421	GLU	-1	-0.765	-0.873	34.131	0.033	0.033	0.000	0.000	0.000	0.000
368	A	422	ARG	1	0.782	0.892	33.626	-0.072	-0.072	0.000	0.000	0.000	0.000
369	A	423	MET	0	0.011	0.028	36.049	-0.002	-0.002	0.000	0.000	0.000	0.000
370	A	424	GLY	0	0.006	-0.004	37.536	0.004	0.004	0.000	0.000	0.000	0.000
371	A	425	THR	0	-0.023	-0.031	38.674	-0.004	-0.004	0.000	0.000	0.000	0.000
372	A	426	ILE	0	-0.052	-0.024	41.193	0.004	0.004	0.000	0.000	0.000	0.000
373	A	427	LYS	1	0.847	0.928	43.880	-0.066	-0.066	0.000	0.000	0.000	0.000
374	A	428	PHE	0	0.032	-0.001	45.655	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	429	THR	0	-0.061	-0.071	48.543	0.002	0.002	0.000	0.000	0.000	0.000
376	A	430	GLN	0	0.043	0.016	51.045	-0.002	-0.002	0.000	0.000	0.000	0.000
377	A	431	PHE	0	-0.025	0.002	54.672	0.003	0.003	0.000	0.000	0.000	0.000
378	A	432	GLN	0	-0.021	-0.017	56.256	-0.001	-0.001	0.000	0.000	0.000	0.000
379	A	433	ASP	-1	-0.803	-0.899	57.860	0.049	0.049	0.000	0.000	0.000	0.000
380	A	434	SER	0	-0.057	-0.031	57.495	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	435	ARG	1	0.871	0.931	52.621	-0.053	-0.053	0.000	0.000	0.000	0.000
382	A	436	GLU	-1	-0.781	-0.839	50.536	0.051	0.051	0.000	0.000	0.000	0.000
383	A	437	VAL	0	-0.032	-0.009	51.334	0.004	0.004	0.000	0.000	0.000	0.000
384	A	438	LYS	1	0.777	0.864	44.131	-0.068	-0.068	0.000	0.000	0.000	0.000
385	A	439	VAL	0	0.041	0.011	49.968	0.000	0.000	0.000	0.000	0.000	0.000
386	A	440	GLY	0	0.037	0.023	49.936	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	441	GLU	-1	-0.827	-0.873	44.596	0.065	0.065	0.000	0.000	0.000	0.000
388	A	442	TYR	0	-0.004	-0.030	45.345	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	443	ASN	0	-0.034	-0.024	41.512	0.001	0.001	0.000	0.000	0.000	0.000
390	A	444	ALA	0	0.090	0.033	41.227	-0.004	-0.004	0.000	0.000	0.000	0.000
391	A	445	VAL	0	-0.079	-0.034	38.400	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	446	ALA	0	-0.014	-0.013	41.693	-0.004	-0.004	0.000	0.000	0.000	0.000
393	A	447	ASP	-1	-0.763	-0.834	44.752	0.020	0.020	0.000	0.000	0.000	0.000
394	A	448	THR	0	-0.055	-0.029	46.598	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	449	LEU	0	-0.001	0.011	47.670	0.002	0.002	0.000	0.000	0.000	0.000
396	A	450	GLU	-1	-0.878	-0.916	47.013	0.050	0.050	0.000	0.000	0.000	0.000
397	A	451	ILE	0	0.011	-0.002	50.339	0.003	0.003	0.000	0.000	0.000	0.000
398	A	452	ILE	0	-0.045	-0.019	48.818	0.000	0.000	0.000	0.000	0.000	0.000
399	A	453	ASN	0	0.010	0.003	52.867	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	454	ASP	-1	-0.910	-0.959	55.843	0.043	0.043	0.000	0.000	0.000	0.000
401	A	455	THR	0	-0.036	-0.018	53.387	0.002	0.002	0.000	0.000	0.000	0.000
402	A	456	ILE	0	-0.023	0.005	56.102	0.000	0.000	0.000	0.000	0.000	0.000
403	A	457	ARG	1	0.771	0.876	57.755	-0.042	-0.042	0.000	0.000	0.000	0.000
404	A	458	PHE	0	0.060	0.011	60.301	0.000	0.000	0.000	0.000	0.000	0.000
405	A	459	GLN	0	0.007	-0.007	64.141	0.000	0.000	0.000	0.000	0.000	0.000
406	A	460	GLY	0	0.041	0.026	67.081	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	461	SER	0	-0.054	-0.031	67.952	0.001	0.001	0.000	0.000	0.000	0.000
408	A	462	GLU	-1	-0.867	-0.913	67.118	0.022	0.022	0.000	0.000	0.000	0.000
409	A	463	PRO	0	-0.029	-0.013	63.275	0.000	0.000	0.000	0.000	0.000	0.000
410	A	464	PRO	0	0.006	0.028	63.957	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	465	LYS	1	0.913	0.962	65.867	-0.016	-0.016	0.000	0.000	0.000	0.000
412	A	466	ASP	-1	-0.850	-0.931	65.098	0.017	0.017	0.000	0.000	0.000	0.000
413	A	467	ASP	-1	-0.829	-0.920	66.813	0.014	0.014	0.000	0.000	0.000	0.000
414	A	468	TYR	0	0.048	0.016	70.379	0.000	0.000	0.000	0.000	0.000	0.000
415	A	469	LYS	1	0.771	0.886	73.160	-0.013	-0.013	0.000	0.000	0.000	0.000
416	A	470	ASP	-1	-0.771	-0.882	71.467	0.019	0.019	0.000	0.000	0.000	0.000
417	A	471	ASP	-1	-0.741	-0.852	73.743	0.019	0.019	0.000	0.000	0.000	0.000
418	A	472	ASP	-1	-0.985	-0.992	75.680	0.017	0.017	0.000	0.000	0.000	0.000
419	A	473	ASP	-1	-0.931	-0.954	74.352	0.019	0.019	0.000	0.000	0.000	0.000
420	A	474	LYS	1	0.614	0.802	70.641	-0.020	-0.020	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:52:SER)