FMO DATABASE

FMODB ID: 49J6N

Calculation Name: 1FX0-B-Xray372

Preferred Name: Chloroplast coupling factor 1

Target Type: PROTEIN COMPLEX

Ligand Name:

Ligand 3-letter code:

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 1FX0

Chain ID: B

ChEMBL ID: CHEMBL2366567

UniProt ID: P06450

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:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	467
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8192511.008929
FMO2-HF: Nuclear repulsion	8015950.938924
FMO2-HF: Total energy	-176560.070005
FMO2-MP2: Total energy	-177076.689065

3D Structure Molmil

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(B:19:ASN)

Summations of interaction energy for fragment #1(B:19:ASN)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-25.94	-36.118	47.344	-14.799	-22.365	0.007

Interaction energy analysis for fragmet #1(B:19:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.013 / q_NPA : 0.008

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	B	21	GLY	0	-0.002	0.021	3.799	-0.819	1.484	-0.031	-1.221	-1.051	-0.002
4	B	22	ARG	1	0.923	0.962	5.361	0.325	0.323	-0.001	0.000	0.004	0.000
5	B	23	ILE	0	0.017	0.024	9.124	-0.027	-0.027	0.000	0.000	0.000	0.000
6	B	24	ALA	0	-0.010	-0.012	11.720	0.109	0.109	0.000	0.000	0.000	0.000
7	B	25	GLN	0	-0.063	-0.048	14.011	0.059	0.059	0.000	0.000	0.000	0.000
8	B	26	ILE	0	0.044	0.027	15.873	-0.065	-0.065	0.000	0.000	0.000	0.000
9	B	27	ILE	0	0.006	0.019	18.132	0.043	0.043	0.000	0.000	0.000	0.000
10	B	28	GLY	0	0.080	0.043	21.047	-0.008	-0.008	0.000	0.000	0.000	0.000
11	B	29	PRO	0	-0.005	-0.013	19.552	-0.025	-0.025	0.000	0.000	0.000	0.000
12	B	30	VAL	0	0.018	0.012	16.636	-0.059	-0.059	0.000	0.000	0.000	0.000
13	B	31	LEU	0	-0.015	-0.019	12.226	0.037	0.037	0.000	0.000	0.000	0.000
14	B	32	ASN	0	-0.002	-0.018	12.979	-0.119	-0.119	0.000	0.000	0.000	0.000
15	B	33	VAL	0	0.023	0.013	6.905	0.144	0.144	0.000	0.000	0.000	0.000
16	B	34	ALA	0	0.000	-0.009	8.644	-0.010	-0.010	0.000	0.000	0.000	0.000
17	B	35	PHE	0	0.039	0.015	2.169	-1.681	-0.767	1.393	-0.690	-1.617	-0.004
18	B	36	PRO	0	-0.025	0.003	3.893	-0.029	0.127	0.000	-0.031	-0.125	0.000
19	B	37	PRO	0	0.042	-0.004	6.973	0.007	0.007	0.000	0.000	0.000	0.000
20	B	38	GLY	0	-0.032	0.006	7.644	-0.150	-0.150	0.000	0.000	0.000	0.000
21	B	39	LYN	0	-0.012	-0.001	1.822	-3.569	-5.048	11.229	-3.281	-6.469	0.024
22	B	40	MET	0	-0.014	-0.021	3.857	-1.411	-1.131	0.005	-0.077	-0.207	0.001
23	B	41	PRO	0	-0.016	0.028	3.263	-1.003	-0.531	0.010	-0.086	-0.396	0.000
24	B	42	ASN	0	0.027	0.003	4.305	1.456	1.553	-0.001	-0.017	-0.079	0.000
25	B	43	ILE	0	0.017	-0.006	7.703	-0.073	-0.073	0.000	0.000	0.000	0.000
26	B	44	TYR	0	-0.016	-0.034	10.683	0.056	0.056	0.000	0.000	0.000	0.000
27	B	45	ASN	0	-0.028	0.022	6.295	0.615	0.615	0.000	0.000	0.000	0.000
28	B	46	ALA	0	-0.006	-0.005	8.394	-0.127	-0.127	0.000	0.000	0.000	0.000
29	B	47	LEU	0	-0.049	-0.018	4.772	-0.260	-0.177	-0.001	-0.004	-0.077	0.000
30	B	48	ILE	0	0.036	0.019	7.385	0.094	0.094	0.000	0.000	0.000	0.000
31	B	49	VAL	0	-0.032	-0.035	8.198	-0.026	-0.026	0.000	0.000	0.000	0.000
32	B	50	LYS	1	0.956	0.959	7.442	0.700	0.700	0.000	0.000	0.000	0.000
33	B	51	GLY	0	0.003	0.023	11.971	0.043	0.043	0.000	0.000	0.000	0.000
34	B	52	ARG	1	0.929	0.929	15.672	0.261	0.261	0.000	0.000	0.000	0.000
35	B	53	ASP	-1	-0.897	-0.928	18.751	-0.207	-0.207	0.000	0.000	0.000	0.000
36	B	54	THR	0	-0.006	-0.019	22.260	0.003	0.003	0.000	0.000	0.000	0.000
37	B	55	ALA	0	-0.033	0.008	24.070	0.008	0.008	0.000	0.000	0.000	0.000
38	B	56	GLY	0	0.103	0.041	22.145	0.012	0.012	0.000	0.000	0.000	0.000
39	B	57	GLN	0	-0.067	-0.035	16.815	-0.019	-0.019	0.000	0.000	0.000	0.000
40	B	58	PRO	0	-0.001	0.029	17.246	-0.001	-0.001	0.000	0.000	0.000	0.000
41	B	59	MET	0	0.024	0.004	9.931	-0.022	-0.022	0.000	0.000	0.000	0.000
42	B	60	ASN	0	0.056	0.022	13.698	-0.032	-0.032	0.000	0.000	0.000	0.000
43	B	61	VAL	0	-0.026	0.016	13.302	-0.015	-0.015	0.000	0.000	0.000	0.000
44	B	62	THR	0	0.071	0.054	12.052	-0.047	-0.047	0.000	0.000	0.000	0.000
45	B	63	CYS	0	-0.088	-0.019	10.965	0.078	0.078	0.000	0.000	0.000	0.000
46	B	64	GLU	-1	-0.758	-0.856	11.224	-0.826	-0.826	0.000	0.000	0.000	0.000
47	B	65	VAL	0	-0.018	0.006	7.088	0.165	0.165	0.000	0.000	0.000	0.000
48	B	66	GLN	0	0.024	0.012	10.191	0.131	0.131	0.000	0.000	0.000	0.000
49	B	67	GLN	0	-0.010	-0.016	12.029	0.133	0.133	0.000	0.000	0.000	0.000
50	B	68	LEU	0	0.046	0.033	8.345	-0.123	-0.123	0.000	0.000	0.000	0.000
51	B	69	LEU	0	-0.031	-0.017	11.891	0.135	0.135	0.000	0.000	0.000	0.000
52	B	70	GLY	0	0.060	0.057	13.049	0.090	0.090	0.000	0.000	0.000	0.000
53	B	71	ASN	0	-0.043	-0.049	14.100	0.011	0.011	0.000	0.000	0.000	0.000
54	B	72	ASN	0	-0.009	0.009	9.614	0.065	0.065	0.000	0.000	0.000	0.000
55	B	73	ARG	1	0.915	0.942	9.843	0.372	0.372	0.000	0.000	0.000	0.000
56	B	74	VAL	0	0.031	0.041	7.022	0.042	0.042	0.000	0.000	0.000	0.000
57	B	75	ARG	1	0.828	0.931	10.035	0.610	0.610	0.000	0.000	0.000	0.000
58	B	76	ALA	0	-0.009	-0.024	10.813	-0.160	-0.160	0.000	0.000	0.000	0.000
59	B	77	VAL	0	0.035	0.044	12.976	0.102	0.102	0.000	0.000	0.000	0.000
60	B	78	ALA	0	0.032	-0.013	14.834	-0.067	-0.067	0.000	0.000	0.000	0.000
61	B	79	MET	0	-0.062	-0.023	15.473	0.017	0.017	0.000	0.000	0.000	0.000
62	B	80	SER	0	-0.025	-0.041	17.326	0.046	0.046	0.000	0.000	0.000	0.000
63	B	81	ALA	0	0.009	-0.004	18.996	-0.019	-0.019	0.000	0.000	0.000	0.000
64	B	82	THR	0	-0.046	-0.031	17.112	0.006	0.006	0.000	0.000	0.000	0.000
65	B	83	ASP	-1	-0.873	-0.928	19.469	-0.243	-0.243	0.000	0.000	0.000	0.000
66	B	84	GLY	0	0.006	-0.006	21.840	0.002	0.002	0.000	0.000	0.000	0.000
67	B	85	LEU	0	-0.057	-0.021	15.189	-0.002	-0.002	0.000	0.000	0.000	0.000
68	B	86	THR	0	0.026	0.002	17.081	0.033	0.033	0.000	0.000	0.000	0.000
69	B	87	ARG	1	0.937	0.962	15.236	0.183	0.183	0.000	0.000	0.000	0.000
70	B	88	GLY	0	-0.036	-0.016	13.235	0.049	0.049	0.000	0.000	0.000	0.000
71	B	89	MET	0	-0.073	-0.006	12.263	0.003	0.003	0.000	0.000	0.000	0.000
72	B	90	GLU	-1	-0.905	-0.964	8.035	-0.485	-0.485	0.000	0.000	0.000	0.000
73	B	91	VAL	0	-0.029	-0.017	6.262	0.087	0.087	0.000	0.000	0.000	0.000
74	B	92	ILE	0	-0.014	-0.014	1.864	-1.795	-2.284	4.360	-1.716	-2.156	0.005
75	B	93	ASP	-1	-0.896	-0.989	2.049	-17.418	-29.783	29.615	-8.500	-8.750	-0.009
76	B	94	THR	0	-0.016	-0.001	2.811	-1.368	-1.516	0.766	0.824	-1.442	-0.008
77	B	95	GLY	0	0.020	0.024	4.938	0.051	0.051	0.000	0.000	0.000	0.000
78	B	96	ALA	0	-0.044	-0.048	5.860	0.409	0.409	0.000	0.000	0.000	0.000
79	B	97	PRO	0	-0.004	-0.005	8.958	-0.133	-0.133	0.000	0.000	0.000	0.000
80	B	98	LEU	0	0.028	0.009	11.479	0.075	0.075	0.000	0.000	0.000	0.000
81	B	99	SER	0	-0.042	-0.012	13.696	0.035	0.035	0.000	0.000	0.000	0.000
82	B	100	VAL	0	0.068	0.035	15.471	0.023	0.023	0.000	0.000	0.000	0.000
83	B	101	PRO	0	-0.038	-0.019	18.987	0.006	0.006	0.000	0.000	0.000	0.000
84	B	102	VAL	0	0.013	-0.001	20.935	0.006	0.006	0.000	0.000	0.000	0.000
85	B	103	GLY	0	0.050	0.005	24.033	0.011	0.011	0.000	0.000	0.000	0.000
86	B	104	GLY	0	0.019	0.010	27.378	-0.002	-0.002	0.000	0.000	0.000	0.000
87	B	105	PRO	0	0.004	0.027	26.538	0.002	0.002	0.000	0.000	0.000	0.000
88	B	106	THR	0	-0.056	-0.055	25.883	-0.009	-0.009	0.000	0.000	0.000	0.000
89	B	107	LEU	0	0.021	-0.008	28.516	-0.003	-0.003	0.000	0.000	0.000	0.000
90	B	108	GLY	0	-0.031	-0.016	32.234	0.005	0.005	0.000	0.000	0.000	0.000
91	B	109	ARG	1	0.738	0.846	27.428	0.138	0.138	0.000	0.000	0.000	0.000
92	B	110	ILE	0	-0.015	-0.003	28.507	-0.003	-0.003	0.000	0.000	0.000	0.000
93	B	111	PHE	0	-0.062	-0.026	23.565	-0.004	-0.004	0.000	0.000	0.000	0.000
94	B	112	ASN	0	-0.011	0.000	20.464	0.008	0.008	0.000	0.000	0.000	0.000
95	B	113	VAL	0	-0.003	-0.010	20.282	-0.002	-0.002	0.000	0.000	0.000	0.000
96	B	114	LEU	0	-0.032	-0.027	15.700	-0.036	-0.036	0.000	0.000	0.000	0.000
97	B	115	GLY	0	-0.010	0.000	18.188	0.002	0.002	0.000	0.000	0.000	0.000
98	B	116	GLU	-1	-0.894	-0.943	17.716	-0.291	-0.291	0.000	0.000	0.000	0.000
99	B	117	PRO	0	-0.024	-0.010	21.510	0.002	0.002	0.000	0.000	0.000	0.000
100	B	118	VAL	0	0.014	-0.001	24.816	0.001	0.001	0.000	0.000	0.000	0.000
101	B	119	ASP	-1	-0.757	-0.873	27.083	-0.134	-0.134	0.000	0.000	0.000	0.000
102	B	120	ASN	0	-0.059	-0.023	29.041	0.003	0.003	0.000	0.000	0.000	0.000
103	B	121	LEU	0	0.022	0.017	29.706	0.010	0.010	0.000	0.000	0.000	0.000
104	B	122	ARG	1	0.931	0.965	28.376	0.086	0.086	0.000	0.000	0.000	0.000
105	B	123	PRO	0	0.024	0.020	23.759	-0.009	-0.009	0.000	0.000	0.000	0.000
106	B	124	VAL	0	0.027	0.008	23.392	0.009	0.009	0.000	0.000	0.000	0.000
107	B	125	ASP	-1	-0.930	-0.948	23.540	-0.112	-0.112	0.000	0.000	0.000	0.000
108	B	126	THR	0	-0.016	-0.028	21.599	0.009	0.009	0.000	0.000	0.000	0.000
109	B	127	ARG	1	0.915	0.968	23.730	0.094	0.094	0.000	0.000	0.000	0.000
110	B	128	THR	0	0.001	-0.012	19.575	0.011	0.011	0.000	0.000	0.000	0.000
111	B	129	THR	0	0.008	0.025	16.103	0.008	0.008	0.000	0.000	0.000	0.000
112	B	130	SER	0	-0.006	-0.017	18.644	0.012	0.012	0.000	0.000	0.000	0.000
113	B	131	PRO	0	-0.053	0.002	15.550	-0.012	-0.012	0.000	0.000	0.000	0.000
114	B	132	ILE	0	0.130	0.053	16.560	0.033	0.033	0.000	0.000	0.000	0.000
115	B	133	HIS	0	-0.130	-0.042	14.446	0.064	0.064	0.000	0.000	0.000	0.000
116	B	134	ARG	1	0.926	0.936	17.510	0.272	0.272	0.000	0.000	0.000	0.000
117	B	135	SER	0	-0.011	-0.011	20.213	0.002	0.002	0.000	0.000	0.000	0.000
118	B	136	ALA	0	0.011	0.006	22.321	0.013	0.013	0.000	0.000	0.000	0.000
119	B	137	PRO	0	0.020	0.020	25.950	0.001	0.001	0.000	0.000	0.000	0.000
120	B	138	ALA	0	0.005	-0.011	28.702	0.000	0.000	0.000	0.000	0.000	0.000
121	B	139	PHE	0	0.039	0.008	29.833	0.007	0.007	0.000	0.000	0.000	0.000
122	B	140	THR	0	-0.038	-0.023	33.101	0.004	0.004	0.000	0.000	0.000	0.000
123	B	141	GLN	0	-0.003	0.007	28.957	-0.004	-0.004	0.000	0.000	0.000	0.000
124	B	142	LEU	0	0.036	0.039	32.861	-0.003	-0.003	0.000	0.000	0.000	0.000
125	B	143	ASP	-1	-0.863	-0.940	35.808	-0.090	-0.090	0.000	0.000	0.000	0.000
126	B	144	THR	0	-0.003	-0.025	39.355	-0.002	-0.002	0.000	0.000	0.000	0.000
127	B	145	LYS	1	0.919	0.974	42.612	0.077	0.077	0.000	0.000	0.000	0.000
128	B	146	LEU	0	0.015	0.004	43.581	-0.004	-0.004	0.000	0.000	0.000	0.000
129	B	147	SER	0	0.054	0.030	45.408	0.005	0.005	0.000	0.000	0.000	0.000
130	B	148	ILE	0	0.043	0.006	46.331	-0.005	-0.005	0.000	0.000	0.000	0.000
131	B	149	PHE	0	0.009	-0.011	42.281	0.000	0.000	0.000	0.000	0.000	0.000
132	B	150	GLU	-1	-0.947	-0.974	47.295	-0.066	-0.066	0.000	0.000	0.000	0.000
133	B	151	THR	0	0.014	0.028	46.437	0.000	0.000	0.000	0.000	0.000	0.000
134	B	152	GLY	0	0.034	0.018	49.144	0.000	0.000	0.000	0.000	0.000	0.000
135	B	153	ILE	0	0.028	0.029	48.297	0.001	0.001	0.000	0.000	0.000	0.000
136	B	154	LYS	1	0.873	0.954	52.521	0.058	0.058	0.000	0.000	0.000	0.000
137	B	155	VAL	0	0.000	-0.013	52.120	0.001	0.001	0.000	0.000	0.000	0.000
138	B	156	VAL	0	0.038	0.021	47.567	0.000	0.000	0.000	0.000	0.000	0.000
139	B	157	ASN	0	-0.007	-0.024	49.674	0.003	0.003	0.000	0.000	0.000	0.000
140	B	158	LEU	0	0.035	0.025	51.779	0.002	0.002	0.000	0.000	0.000	0.000
141	B	159	LEU	0	-0.042	-0.024	52.808	0.002	0.002	0.000	0.000	0.000	0.000
142	B	160	ALA	0	0.015	-0.012	47.779	-0.001	-0.001	0.000	0.000	0.000	0.000
143	B	161	PRO	0	-0.038	-0.002	48.032	-0.003	-0.003	0.000	0.000	0.000	0.000
144	B	162	TYR	0	0.063	0.019	43.519	-0.005	-0.005	0.000	0.000	0.000	0.000
145	B	163	ARG	1	0.974	0.957	42.890	0.092	0.092	0.000	0.000	0.000	0.000
146	B	164	ARG	1	0.906	0.949	42.081	0.075	0.075	0.000	0.000	0.000	0.000
147	B	165	GLY	0	0.000	0.000	38.126	0.002	0.002	0.000	0.000	0.000	0.000
148	B	166	GLY	0	0.002	-0.010	37.574	-0.006	-0.006	0.000	0.000	0.000	0.000
149	B	167	LYS	1	0.760	0.892	32.450	0.168	0.168	0.000	0.000	0.000	0.000
150	B	168	ILE	0	0.011	0.006	37.527	0.003	0.003	0.000	0.000	0.000	0.000
151	B	169	GLY	0	0.050	0.023	38.306	-0.008	-0.008	0.000	0.000	0.000	0.000
152	B	170	LEU	0	-0.061	-0.029	39.337	0.008	0.008	0.000	0.000	0.000	0.000
153	B	171	PHE	0	0.008	0.003	38.113	-0.007	-0.007	0.000	0.000	0.000	0.000
154	B	172	GLY	0	0.095	0.039	41.522	0.006	0.006	0.000	0.000	0.000	0.000
155	B	173	GLY	0	0.056	0.032	41.510	-0.007	-0.007	0.000	0.000	0.000	0.000
156	B	174	ALA	0	-0.043	-0.039	41.729	0.001	0.001	0.000	0.000	0.000	0.000
157	B	175	GLY	0	-0.030	-0.015	42.736	0.005	0.005	0.000	0.000	0.000	0.000
158	B	176	VAL	0	0.015	0.010	44.020	0.003	0.003	0.000	0.000	0.000	0.000
159	B	177	GLY	0	0.053	0.017	45.083	0.004	0.004	0.000	0.000	0.000	0.000
160	B	178	LYS	1	0.898	0.963	39.575	0.124	0.124	0.000	0.000	0.000	0.000
161	B	179	THR	0	0.054	0.025	39.535	0.001	0.001	0.000	0.000	0.000	0.000
162	B	180	VAL	0	0.013	-0.008	41.646	0.001	0.001	0.000	0.000	0.000	0.000
163	B	181	LEU	0	-0.011	0.006	43.602	0.003	0.003	0.000	0.000	0.000	0.000
164	B	182	ILE	0	0.000	0.004	38.164	0.002	0.002	0.000	0.000	0.000	0.000
165	B	183	MET	0	-0.021	-0.004	40.321	-0.002	-0.002	0.000	0.000	0.000	0.000
166	B	184	GLU	-1	-0.800	-0.905	43.417	-0.075	-0.075	0.000	0.000	0.000	0.000
167	B	185	LEU	0	0.026	0.021	42.353	0.003	0.003	0.000	0.000	0.000	0.000
168	B	186	ILE	0	0.008	-0.005	39.018	0.001	0.001	0.000	0.000	0.000	0.000
169	B	187	ASN	0	-0.062	-0.039	42.855	0.003	0.003	0.000	0.000	0.000	0.000
170	B	188	ASN	0	0.006	-0.016	46.339	0.002	0.002	0.000	0.000	0.000	0.000
171	B	189	ILE	0	-0.042	-0.017	43.892	0.002	0.002	0.000	0.000	0.000	0.000
172	B	190	ALA	0	-0.031	-0.004	40.598	0.000	0.000	0.000	0.000	0.000	0.000
173	B	191	LYS	1	0.881	0.961	42.528	0.083	0.083	0.000	0.000	0.000	0.000
174	B	192	ALA	0	0.014	0.013	44.484	0.002	0.002	0.000	0.000	0.000	0.000
175	B	193	HIS	0	-0.043	-0.007	39.652	0.006	0.006	0.000	0.000	0.000	0.000
176	B	194	GLY	0	-0.003	0.002	43.204	0.001	0.001	0.000	0.000	0.000	0.000
177	B	195	GLY	0	-0.001	-0.016	39.945	0.001	0.001	0.000	0.000	0.000	0.000
178	B	196	VAL	0	-0.010	0.015	33.813	0.001	0.001	0.000	0.000	0.000	0.000
179	B	197	SER	0	0.035	-0.004	35.972	-0.001	-0.001	0.000	0.000	0.000	0.000
180	B	198	VAL	0	-0.031	-0.011	29.957	-0.003	-0.003	0.000	0.000	0.000	0.000
181	B	199	PHE	0	0.002	0.017	32.666	0.003	0.003	0.000	0.000	0.000	0.000
182	B	200	GLY	0	-0.014	-0.021	29.976	-0.008	-0.008	0.000	0.000	0.000	0.000
183	B	201	GLY	0	0.005	-0.008	29.725	0.010	0.010	0.000	0.000	0.000	0.000
184	B	202	VAL	0	-0.034	-0.029	27.760	-0.019	-0.019	0.000	0.000	0.000	0.000
185	B	203	GLY	0	0.011	-0.006	29.310	0.006	0.006	0.000	0.000	0.000	0.000
186	B	204	GLU	-1	-0.796	-0.892	30.692	-0.149	-0.149	0.000	0.000	0.000	0.000
187	B	205	ARG	1	0.912	0.928	33.565	0.122	0.122	0.000	0.000	0.000	0.000
188	B	206	THR	0	0.047	0.012	33.492	-0.004	-0.004	0.000	0.000	0.000	0.000
189	B	207	ARG	1	0.896	0.961	35.291	0.108	0.108	0.000	0.000	0.000	0.000
190	B	208	GLU	-1	-0.785	-0.880	37.533	-0.128	-0.128	0.000	0.000	0.000	0.000
191	B	209	GLY	0	-0.017	-0.004	35.051	-0.003	-0.003	0.000	0.000	0.000	0.000
192	B	210	ASN	0	-0.016	-0.032	36.028	0.004	0.004	0.000	0.000	0.000	0.000
193	B	211	ASP	-1	-0.874	-0.937	37.869	-0.100	-0.100	0.000	0.000	0.000	0.000
194	B	212	LEU	0	0.043	0.013	36.288	0.004	0.004	0.000	0.000	0.000	0.000
195	B	213	TYR	0	-0.029	-0.014	34.745	0.004	0.004	0.000	0.000	0.000	0.000
196	B	214	MET	0	-0.025	-0.039	38.301	0.005	0.005	0.000	0.000	0.000	0.000
197	B	215	GLU	-1	-0.878	-0.930	41.407	-0.086	-0.086	0.000	0.000	0.000	0.000
198	B	216	MET	0	-0.074	-0.036	38.331	0.005	0.005	0.000	0.000	0.000	0.000
199	B	217	LYS	1	0.912	0.962	37.861	0.097	0.097	0.000	0.000	0.000	0.000
200	B	218	GLU	-1	-0.892	-0.934	41.770	-0.067	-0.067	0.000	0.000	0.000	0.000
201	B	219	SER	0	-0.131	-0.055	43.919	0.002	0.002	0.000	0.000	0.000	0.000
202	B	220	GLY	0	0.088	0.036	43.656	0.001	0.001	0.000	0.000	0.000	0.000
203	B	221	VAL	0	-0.064	-0.018	39.146	-0.001	-0.001	0.000	0.000	0.000	0.000
204	B	222	ILE	0	-0.066	-0.033	36.235	-0.005	-0.005	0.000	0.000	0.000	0.000
205	B	223	ASN	0	0.012	-0.003	34.876	0.006	0.006	0.000	0.000	0.000	0.000
206	B	224	GLU	-1	-0.873	-0.919	39.111	-0.067	-0.067	0.000	0.000	0.000	0.000
207	B	225	GLN	0	-0.006	-0.013	41.080	0.003	0.003	0.000	0.000	0.000	0.000
208	B	226	ASN	0	-0.065	-0.024	35.735	-0.006	-0.006	0.000	0.000	0.000	0.000
209	B	227	ILE	0	-0.023	-0.012	38.119	0.001	0.001	0.000	0.000	0.000	0.000
210	B	228	ALA	0	-0.063	-0.040	35.752	0.000	0.000	0.000	0.000	0.000	0.000
211	B	229	GLU	-1	-0.910	-0.948	37.612	-0.065	-0.065	0.000	0.000	0.000	0.000
212	B	230	SER	0	-0.005	-0.008	36.125	-0.002	-0.002	0.000	0.000	0.000	0.000
213	B	231	LYS	1	0.850	0.933	37.108	0.084	0.084	0.000	0.000	0.000	0.000
214	B	232	VAL	0	0.045	0.007	34.941	-0.004	-0.004	0.000	0.000	0.000	0.000
215	B	233	ALA	0	0.010	0.027	29.885	0.002	0.002	0.000	0.000	0.000	0.000
216	B	234	LEU	0	0.022	0.017	30.915	-0.005	-0.005	0.000	0.000	0.000	0.000
217	B	235	VAL	0	0.013	0.010	25.174	-0.007	-0.007	0.000	0.000	0.000	0.000
218	B	236	TYR	0	0.011	0.014	27.754	0.002	0.002	0.000	0.000	0.000	0.000
219	B	237	GLY	0	0.052	0.035	26.427	-0.008	-0.008	0.000	0.000	0.000	0.000
220	B	238	GLN	0	0.006	0.002	27.224	-0.006	-0.006	0.000	0.000	0.000	0.000
221	B	239	MET	0	-0.079	-0.046	28.737	-0.009	-0.009	0.000	0.000	0.000	0.000
222	B	240	ASN	0	0.000	-0.004	29.230	-0.016	-0.016	0.000	0.000	0.000	0.000
223	B	241	GLU	-1	-0.921	-0.934	23.953	-0.277	-0.277	0.000	0.000	0.000	0.000
224	B	242	PRO	0	0.065	0.018	21.780	0.004	0.004	0.000	0.000	0.000	0.000
225	B	243	PRO	0	0.032	0.006	21.862	-0.001	-0.001	0.000	0.000	0.000	0.000
226	B	244	GLY	0	0.030	-0.014	19.236	0.000	0.000	0.000	0.000	0.000	0.000
227	B	245	ALA	0	0.012	0.010	19.321	-0.030	-0.030	0.000	0.000	0.000	0.000
228	B	246	ARG	1	0.889	0.968	21.902	0.257	0.257	0.000	0.000	0.000	0.000
229	B	247	MET	0	-0.026	0.034	19.652	0.014	0.014	0.000	0.000	0.000	0.000
230	B	248	ARG	1	0.843	0.876	16.605	0.543	0.543	0.000	0.000	0.000	0.000
231	B	249	VAL	0	0.063	0.045	21.716	-0.001	-0.001	0.000	0.000	0.000	0.000
232	B	250	GLY	0	0.041	0.019	24.136	0.017	0.017	0.000	0.000	0.000	0.000
233	B	251	LEU	0	-0.005	-0.021	20.032	0.014	0.014	0.000	0.000	0.000	0.000
234	B	252	THR	0	-0.023	0.018	21.493	-0.014	-0.014	0.000	0.000	0.000	0.000
235	B	253	ALA	0	0.000	-0.009	23.202	0.015	0.015	0.000	0.000	0.000	0.000
236	B	254	LEU	0	0.010	-0.007	25.255	0.016	0.016	0.000	0.000	0.000	0.000
237	B	255	THR	0	0.023	0.001	20.759	-0.001	-0.001	0.000	0.000	0.000	0.000
238	B	256	MET	0	-0.025	-0.022	23.895	0.006	0.006	0.000	0.000	0.000	0.000
239	B	257	ALA	0	0.012	0.015	26.238	0.017	0.017	0.000	0.000	0.000	0.000
240	B	258	GLU	-1	-0.858	-0.897	22.593	-0.292	-0.292	0.000	0.000	0.000	0.000
241	B	259	TYR	0	-0.014	0.012	25.788	0.004	0.004	0.000	0.000	0.000	0.000
242	B	260	PHE	0	-0.008	-0.022	27.876	0.011	0.011	0.000	0.000	0.000	0.000
243	B	261	ARG	1	0.762	0.880	28.250	0.182	0.182	0.000	0.000	0.000	0.000
244	B	262	ASP	-1	-0.755	-0.866	28.957	-0.155	-0.155	0.000	0.000	0.000	0.000
245	B	263	VAL	0	-0.059	-0.022	27.022	0.007	0.007	0.000	0.000	0.000	0.000
246	B	264	ASN	0	-0.104	-0.064	30.359	0.002	0.002	0.000	0.000	0.000	0.000
247	B	265	GLU	-1	-0.924	-0.945	33.440	-0.078	-0.078	0.000	0.000	0.000	0.000
248	B	266	GLN	0	-0.034	-0.014	34.236	0.009	0.009	0.000	0.000	0.000	0.000
249	B	267	ASP	-1	-0.889	-0.940	36.066	-0.102	-0.102	0.000	0.000	0.000	0.000
250	B	268	VAL	0	-0.051	-0.017	33.101	0.002	0.002	0.000	0.000	0.000	0.000
251	B	269	LEU	0	-0.033	-0.007	36.073	0.000	0.000	0.000	0.000	0.000	0.000
252	B	270	LEU	0	0.011	-0.010	29.909	-0.005	-0.005	0.000	0.000	0.000	0.000
253	B	271	PHE	0	0.027	-0.008	33.970	0.000	0.000	0.000	0.000	0.000	0.000
254	B	272	ILE	0	0.012	0.010	29.782	-0.008	-0.008	0.000	0.000	0.000	0.000
255	B	273	ASP	-1	-0.853	-0.929	33.362	-0.136	-0.136	0.000	0.000	0.000	0.000
256	B	274	ASN	0	0.046	-0.018	33.625	-0.009	-0.009	0.000	0.000	0.000	0.000
257	B	275	ILE	0	0.042	0.025	28.576	-0.011	-0.011	0.000	0.000	0.000	0.000
258	B	276	PHE	0	0.039	0.018	30.460	-0.013	-0.013	0.000	0.000	0.000	0.000
259	B	277	ARG	1	0.786	0.904	30.453	0.159	0.159	0.000	0.000	0.000	0.000
260	B	278	PHE	0	-0.011	0.009	23.568	-0.011	-0.011	0.000	0.000	0.000	0.000
261	B	279	VAL	0	0.044	0.020	26.171	-0.022	-0.022	0.000	0.000	0.000	0.000
262	B	280	GLN	0	0.004	0.014	27.717	-0.010	-0.010	0.000	0.000	0.000	0.000
263	B	281	ALA	0	-0.004	-0.019	25.310	-0.004	-0.004	0.000	0.000	0.000	0.000
264	B	282	GLY	0	0.052	0.000	23.653	-0.026	-0.026	0.000	0.000	0.000	0.000
265	B	283	SER	0	-0.074	-0.036	24.326	-0.017	-0.017	0.000	0.000	0.000	0.000
266	B	284	GLU	-1	-0.913	-0.972	25.294	-0.249	-0.249	0.000	0.000	0.000	0.000
267	B	285	VAL	0	0.003	0.004	20.080	-0.011	-0.011	0.000	0.000	0.000	0.000
268	B	286	SER	0	0.019	-0.020	21.528	-0.025	-0.025	0.000	0.000	0.000	0.000
269	B	287	ALA	0	0.043	0.027	22.699	-0.015	-0.015	0.000	0.000	0.000	0.000
270	B	288	LEU	0	-0.011	-0.001	21.587	0.003	0.003	0.000	0.000	0.000	0.000
271	B	289	LEU	0	-0.094	-0.055	16.894	-0.035	-0.035	0.000	0.000	0.000	0.000
272	B	290	GLY	0	-0.031	-0.001	19.554	-0.022	-0.022	0.000	0.000	0.000	0.000
273	B	291	ARG	1	0.903	0.983	19.080	0.425	0.425	0.000	0.000	0.000	0.000
274	B	292	MET	0	0.004	-0.008	23.996	0.016	0.016	0.000	0.000	0.000	0.000
275	B	293	PRO	0	-0.002	-0.001	27.761	-0.006	-0.006	0.000	0.000	0.000	0.000
276	B	294	SER	0	0.013	0.016	29.806	0.012	0.012	0.000	0.000	0.000	0.000
277	B	295	ALA	0	-0.013	-0.017	32.035	0.006	0.006	0.000	0.000	0.000	0.000
278	B	296	VAL	0	0.054	0.017	34.642	-0.004	-0.004	0.000	0.000	0.000	0.000
279	B	297	GLY	0	-0.016	0.003	32.864	-0.005	-0.005	0.000	0.000	0.000	0.000
280	B	298	TYR	0	-0.051	-0.055	30.261	-0.018	-0.018	0.000	0.000	0.000	0.000
281	B	299	GLN	0	-0.012	-0.017	25.075	0.029	0.029	0.000	0.000	0.000	0.000
282	B	300	PRO	0	-0.027	-0.009	24.883	0.008	0.008	0.000	0.000	0.000	0.000
283	B	301	THR	0	-0.052	-0.035	22.148	0.011	0.011	0.000	0.000	0.000	0.000
284	B	302	LEU	0	0.028	0.025	25.380	-0.014	-0.014	0.000	0.000	0.000	0.000
285	B	303	SER	0	0.018	0.001	28.014	-0.006	-0.006	0.000	0.000	0.000	0.000
286	B	304	THR	0	-0.018	-0.006	22.996	0.005	0.005	0.000	0.000	0.000	0.000
287	B	305	GLU	-1	-0.868	-0.942	22.010	-0.384	-0.384	0.000	0.000	0.000	0.000
288	B	306	MET	0	-0.021	-0.004	24.514	-0.005	-0.005	0.000	0.000	0.000	0.000
289	B	307	GLY	0	0.036	0.029	26.994	0.015	0.015	0.000	0.000	0.000	0.000
290	B	308	SER	0	0.014	-0.011	23.037	0.007	0.007	0.000	0.000	0.000	0.000
291	B	309	LEU	0	-0.083	-0.032	21.727	-0.009	-0.009	0.000	0.000	0.000	0.000
292	B	310	GLN	0	0.076	0.047	25.760	0.011	0.011	0.000	0.000	0.000	0.000
293	B	311	GLU	-1	-0.910	-0.934	28.298	-0.166	-0.166	0.000	0.000	0.000	0.000
294	B	312	ARG	1	0.786	0.890	20.740	0.340	0.340	0.000	0.000	0.000	0.000
295	B	313	ILE	0	-0.057	-0.013	27.893	0.006	0.006	0.000	0.000	0.000	0.000
296	B	314	THR	0	0.022	-0.010	30.506	0.009	0.009	0.000	0.000	0.000	0.000
297	B	315	SER	0	0.028	0.049	32.939	-0.003	-0.003	0.000	0.000	0.000	0.000
298	B	316	THR	0	-0.039	-0.005	31.127	0.002	0.002	0.000	0.000	0.000	0.000
299	B	317	LYS	1	0.946	0.960	34.584	0.091	0.091	0.000	0.000	0.000	0.000
300	B	318	GLU	-1	-0.994	-0.991	30.786	-0.129	-0.129	0.000	0.000	0.000	0.000
301	B	319	GLY	0	0.075	0.046	35.049	0.003	0.003	0.000	0.000	0.000	0.000
302	B	320	SER	0	-0.058	-0.029	35.708	-0.001	-0.001	0.000	0.000	0.000	0.000
303	B	321	ILE	0	0.022	0.003	31.913	-0.006	-0.006	0.000	0.000	0.000	0.000
304	B	322	THR	0	-0.033	0.003	35.305	0.002	0.002	0.000	0.000	0.000	0.000
305	B	323	SER	0	0.003	-0.003	33.952	0.004	0.004	0.000	0.000	0.000	0.000
306	B	324	ILE	0	0.005	0.022	35.991	0.002	0.002	0.000	0.000	0.000	0.000
307	B	325	GLN	0	0.019	-0.024	32.300	0.002	0.002	0.000	0.000	0.000	0.000
308	B	326	ALA	0	0.035	0.041	35.910	0.008	0.008	0.000	0.000	0.000	0.000
309	B	327	VAL	0	-0.037	-0.010	35.157	-0.013	-0.013	0.000	0.000	0.000	0.000
310	B	328	TYR	0	-0.036	-0.019	35.888	0.013	0.013	0.000	0.000	0.000	0.000
311	B	329	VAL	0	0.006	0.008	37.098	-0.006	-0.006	0.000	0.000	0.000	0.000
312	B	330	PRO	0	-0.061	-0.042	36.268	0.007	0.007	0.000	0.000	0.000	0.000
313	B	331	ALA	0	-0.011	0.002	39.346	0.002	0.002	0.000	0.000	0.000	0.000
314	B	332	ASP	-1	-0.856	-0.904	42.888	-0.095	-0.095	0.000	0.000	0.000	0.000
315	B	333	ASP	-1	-0.846	-0.896	42.157	-0.106	-0.106	0.000	0.000	0.000	0.000
316	B	334	LEU	0	-0.005	-0.011	41.560	-0.007	-0.007	0.000	0.000	0.000	0.000
317	B	335	THR	0	-0.081	-0.066	41.079	-0.006	-0.006	0.000	0.000	0.000	0.000
318	B	336	ASP	-1	-0.736	-0.858	37.170	-0.158	-0.158	0.000	0.000	0.000	0.000
319	B	337	PRO	0	0.004	-0.008	34.268	-0.003	-0.003	0.000	0.000	0.000	0.000
320	B	338	ALA	0	-0.029	0.014	32.783	-0.004	-0.004	0.000	0.000	0.000	0.000
321	B	339	PRO	0	-0.007	0.006	33.867	-0.005	-0.005	0.000	0.000	0.000	0.000
322	B	340	ALA	0	0.061	0.035	36.599	0.001	0.001	0.000	0.000	0.000	0.000
323	B	341	THR	0	-0.063	-0.059	31.574	0.000	0.000	0.000	0.000	0.000	0.000
324	B	342	THR	0	-0.069	-0.049	34.046	-0.006	-0.006	0.000	0.000	0.000	0.000
325	B	343	PHE	0	0.034	0.011	35.277	0.000	0.000	0.000	0.000	0.000	0.000
326	B	344	ALA	0	0.009	0.015	35.808	0.004	0.004	0.000	0.000	0.000	0.000
327	B	345	HIS	0	-0.074	-0.030	31.680	0.002	0.002	0.000	0.000	0.000	0.000
328	B	346	LEU	0	0.039	0.018	35.700	-0.003	-0.003	0.000	0.000	0.000	0.000
329	B	347	ASP	-1	-0.905	-0.937	38.843	-0.111	-0.111	0.000	0.000	0.000	0.000
330	B	348	ALA	0	-0.009	-0.037	41.718	0.007	0.007	0.000	0.000	0.000	0.000
331	B	349	THR	0	-0.024	0.001	41.614	-0.005	-0.005	0.000	0.000	0.000	0.000
332	B	350	THR	0	-0.031	-0.031	43.595	0.005	0.005	0.000	0.000	0.000	0.000
333	B	351	VAL	0	-0.007	0.020	44.129	-0.005	-0.005	0.000	0.000	0.000	0.000
334	B	352	LEU	0	-0.005	-0.011	44.614	0.004	0.004	0.000	0.000	0.000	0.000
335	B	353	SER	0	0.012	0.012	46.948	-0.002	-0.002	0.000	0.000	0.000	0.000
336	B	354	ARG	1	0.853	0.890	45.173	0.098	0.098	0.000	0.000	0.000	0.000
337	B	355	GLY	0	0.001	-0.003	50.280	0.002	0.002	0.000	0.000	0.000	0.000
338	B	356	LEU	0	-0.018	-0.022	52.715	0.003	0.003	0.000	0.000	0.000	0.000
339	B	357	ALA	0	0.062	0.028	50.879	0.001	0.001	0.000	0.000	0.000	0.000
340	B	358	ALA	0	-0.086	-0.030	52.998	0.001	0.001	0.000	0.000	0.000	0.000
341	B	359	LYS	1	0.941	0.967	55.300	0.064	0.064	0.000	0.000	0.000	0.000
342	B	360	GLY	0	0.000	0.010	56.431	0.002	0.002	0.000	0.000	0.000	0.000
343	B	361	ILE	0	-0.038	-0.012	55.407	0.001	0.001	0.000	0.000	0.000	0.000
344	B	362	TYR	0	-0.022	-0.002	50.876	-0.004	-0.004	0.000	0.000	0.000	0.000
345	B	363	PRO	0	0.058	0.025	49.678	0.002	0.002	0.000	0.000	0.000	0.000
346	B	364	ALA	0	0.048	0.030	50.099	0.002	0.002	0.000	0.000	0.000	0.000
347	B	365	VAL	0	-0.039	-0.024	48.808	-0.005	-0.005	0.000	0.000	0.000	0.000
348	B	366	ASP	-1	-0.825	-0.911	50.236	-0.073	-0.073	0.000	0.000	0.000	0.000
349	B	367	PRO	0	-0.036	-0.019	51.539	-0.001	-0.001	0.000	0.000	0.000	0.000
350	B	368	LEU	0	-0.064	-0.032	53.608	0.001	0.001	0.000	0.000	0.000	0.000
351	B	369	ASP	-1	-0.912	-0.955	47.386	-0.094	-0.094	0.000	0.000	0.000	0.000
352	B	370	SER	0	0.002	-0.024	47.224	-0.005	-0.005	0.000	0.000	0.000	0.000
353	B	371	THR	0	0.010	0.026	46.012	0.003	0.003	0.000	0.000	0.000	0.000
354	B	372	SER	0	0.040	0.001	45.877	-0.002	-0.002	0.000	0.000	0.000	0.000
355	B	373	THR	0	0.024	0.019	43.695	0.004	0.004	0.000	0.000	0.000	0.000
356	B	374	MET	0	-0.100	-0.005	46.798	0.003	0.003	0.000	0.000	0.000	0.000
357	B	375	LEU	0	-0.029	0.023	48.877	0.003	0.003	0.000	0.000	0.000	0.000
358	B	376	GLN	0	-0.026	-0.034	50.341	0.002	0.002	0.000	0.000	0.000	0.000
359	B	377	PRO	0	0.058	0.029	53.573	0.000	0.000	0.000	0.000	0.000	0.000
360	B	378	ARG	1	0.923	0.948	53.733	0.056	0.056	0.000	0.000	0.000	0.000
361	B	379	ILE	0	-0.057	-0.032	49.366	0.000	0.000	0.000	0.000	0.000	0.000
362	B	380	VAL	0	-0.054	0.005	52.344	-0.001	-0.001	0.000	0.000	0.000	0.000
363	B	381	GLY	0	0.091	0.041	54.812	0.002	0.002	0.000	0.000	0.000	0.000
364	B	382	GLU	-1	-0.928	-0.975	58.530	-0.050	-0.050	0.000	0.000	0.000	0.000
365	B	383	GLU	-1	-0.868	-0.931	61.192	-0.046	-0.046	0.000	0.000	0.000	0.000
366	B	384	HIS	0	-0.029	-0.017	53.436	0.000	0.000	0.000	0.000	0.000	0.000
367	B	385	TYR	0	-0.026	-0.018	55.328	-0.001	-0.001	0.000	0.000	0.000	0.000
368	B	386	GLU	-1	-0.874	-0.948	58.380	-0.047	-0.047	0.000	0.000	0.000	0.000
369	B	387	ILE	0	-0.011	0.012	60.927	0.000	0.000	0.000	0.000	0.000	0.000
370	B	388	ALA	0	0.039	0.031	56.321	-0.001	-0.001	0.000	0.000	0.000	0.000
371	B	389	GLN	0	-0.021	-0.025	57.682	-0.002	-0.002	0.000	0.000	0.000	0.000
372	B	390	ARG	1	0.917	0.959	59.482	0.046	0.046	0.000	0.000	0.000	0.000
373	B	391	VAL	0	-0.046	-0.024	59.016	0.001	0.001	0.000	0.000	0.000	0.000
374	B	392	LYS	1	0.906	0.951	53.642	0.068	0.068	0.000	0.000	0.000	0.000
375	B	393	GLU	-1	-0.907	-0.950	59.216	-0.050	-0.050	0.000	0.000	0.000	0.000
376	B	394	THR	0	-0.005	-0.009	62.134	0.001	0.001	0.000	0.000	0.000	0.000
377	B	395	LEU	0	-0.028	-0.010	58.084	0.000	0.000	0.000	0.000	0.000	0.000
378	B	396	GLN	0	-0.034	0.001	57.647	-0.001	-0.001	0.000	0.000	0.000	0.000
379	B	397	ARG	1	0.984	0.982	60.946	0.046	0.046	0.000	0.000	0.000	0.000
380	B	398	TYR	0	0.037	0.013	62.745	0.001	0.001	0.000	0.000	0.000	0.000
381	B	399	LYS	1	0.951	0.976	55.047	0.069	0.069	0.000	0.000	0.000	0.000
382	B	400	GLU	-1	-0.972	-0.973	61.827	-0.055	-0.055	0.000	0.000	0.000	0.000
383	B	401	LEU	0	-0.027	-0.014	63.699	0.002	0.002	0.000	0.000	0.000	0.000
384	B	402	GLN	0	-0.043	-0.016	60.860	0.000	0.000	0.000	0.000	0.000	0.000
385	B	403	ASP	-1	-0.913	-0.955	62.363	-0.055	-0.055	0.000	0.000	0.000	0.000
386	B	404	ILE	0	-0.019	0.007	65.509	0.001	0.001	0.000	0.000	0.000	0.000
387	B	405	ILE	0	0.068	0.017	68.338	0.001	0.001	0.000	0.000	0.000	0.000
388	B	406	ALA	0	-0.126	-0.050	67.000	0.001	0.001	0.000	0.000	0.000	0.000
389	B	407	ILE	0	-0.067	-0.042	68.951	0.000	0.000	0.000	0.000	0.000	0.000
390	B	408	LEU	0	-0.060	-0.028	71.512	0.001	0.001	0.000	0.000	0.000	0.000
391	B	409	GLY	0	-0.009	0.021	73.324	0.001	0.001	0.000	0.000	0.000	0.000
392	B	410	LEU	0	0.014	-0.033	72.174	-0.001	-0.001	0.000	0.000	0.000	0.000
393	B	411	ASP	-1	-0.919	-0.964	75.884	-0.035	-0.035	0.000	0.000	0.000	0.000
394	B	412	GLU	-1	-0.915	-0.951	78.412	-0.032	-0.032	0.000	0.000	0.000	0.000
395	B	413	LEU	0	-0.067	-0.022	72.288	0.000	0.000	0.000	0.000	0.000	0.000
396	B	414	SER	0	0.046	0.038	75.914	0.001	0.001	0.000	0.000	0.000	0.000
397	B	415	GLU	-1	-0.937	-0.979	76.658	-0.035	-0.035	0.000	0.000	0.000	0.000
398	B	416	GLU	-1	-0.957	-0.988	75.487	-0.037	-0.037	0.000	0.000	0.000	0.000
399	B	417	ASP	-1	-0.890	-0.942	71.781	-0.042	-0.042	0.000	0.000	0.000	0.000
400	B	418	ARG	1	0.814	0.918	71.938	0.034	0.034	0.000	0.000	0.000	0.000
401	B	419	LEU	0	0.005	0.009	72.744	-0.001	-0.001	0.000	0.000	0.000	0.000
402	B	420	THR	0	-0.044	-0.045	68.200	-0.002	-0.002	0.000	0.000	0.000	0.000
403	B	421	VAL	0	0.038	0.021	68.074	-0.002	-0.002	0.000	0.000	0.000	0.000
404	B	422	ALA	0	-0.002	0.008	68.042	-0.001	-0.001	0.000	0.000	0.000	0.000
405	B	423	ARG	1	0.913	0.965	68.359	0.040	0.040	0.000	0.000	0.000	0.000
406	B	424	ALA	0	0.070	0.029	64.162	-0.001	-0.001	0.000	0.000	0.000	0.000
407	B	425	ARG	1	0.860	0.958	63.875	0.047	0.047	0.000	0.000	0.000	0.000
408	B	426	LYS	1	0.847	0.947	65.023	0.041	0.041	0.000	0.000	0.000	0.000
409	B	427	ILE	0	-0.009	0.007	60.801	-0.001	-0.001	0.000	0.000	0.000	0.000
410	B	428	GLU	-1	-0.923	-1.002	59.859	-0.058	-0.058	0.000	0.000	0.000	0.000
411	B	429	ARG	1	0.787	0.885	59.838	0.050	0.050	0.000	0.000	0.000	0.000
412	B	430	PHE	0	0.017	0.025	61.316	-0.001	-0.001	0.000	0.000	0.000	0.000
413	B	431	LEU	0	-0.063	-0.023	56.272	-0.001	-0.001	0.000	0.000	0.000	0.000
414	B	432	SER	0	-0.034	-0.003	56.380	-0.003	-0.003	0.000	0.000	0.000	0.000
415	B	433	GLN	0	-0.016	-0.032	53.814	0.004	0.004	0.000	0.000	0.000	0.000
416	B	434	PRO	0	0.030	0.023	54.604	-0.003	-0.003	0.000	0.000	0.000	0.000
417	B	435	PHE	0	-0.052	-0.029	47.835	-0.002	-0.002	0.000	0.000	0.000	0.000
418	B	436	PHE	0	-0.013	-0.014	51.026	0.002	0.002	0.000	0.000	0.000	0.000
419	B	437	VAL	0	0.011	0.014	46.234	0.000	0.000	0.000	0.000	0.000	0.000
420	B	438	ALA	0	-0.013	-0.018	49.556	-0.001	-0.001	0.000	0.000	0.000	0.000
421	B	439	GLU	-1	-0.904	-0.943	51.464	-0.062	-0.062	0.000	0.000	0.000	0.000
422	B	440	VAL	0	-0.019	-0.017	50.685	0.002	0.002	0.000	0.000	0.000	0.000
423	B	441	PHE	0	-0.093	-0.050	48.468	0.000	0.000	0.000	0.000	0.000	0.000
424	B	442	THR	0	-0.037	-0.006	54.316	0.002	0.002	0.000	0.000	0.000	0.000
425	B	443	GLY	0	0.019	0.017	57.119	0.002	0.002	0.000	0.000	0.000	0.000
426	B	444	SER	0	-0.033	-0.016	58.673	0.002	0.002	0.000	0.000	0.000	0.000
427	B	445	PRO	0	0.001	0.002	58.146	-0.002	-0.002	0.000	0.000	0.000	0.000
428	B	446	GLY	0	0.042	0.019	55.649	0.000	0.000	0.000	0.000	0.000	0.000
429	B	447	LYS	1	0.817	0.886	56.242	0.055	0.055	0.000	0.000	0.000	0.000
430	B	448	TYR	0	-0.015	0.003	50.824	-0.001	-0.001	0.000	0.000	0.000	0.000
431	B	449	VAL	0	0.010	0.010	55.218	0.002	0.002	0.000	0.000	0.000	0.000
432	B	450	GLY	0	0.030	0.022	54.771	-0.002	-0.002	0.000	0.000	0.000	0.000
433	B	451	LEU	0	0.043	0.023	53.483	0.001	0.001	0.000	0.000	0.000	0.000
434	B	452	ALA	0	0.006	0.016	56.654	0.001	0.001	0.000	0.000	0.000	0.000
435	B	453	GLU	-1	-0.900	-0.955	59.978	-0.047	-0.047	0.000	0.000	0.000	0.000
436	B	454	THR	0	-0.015	-0.023	57.036	0.001	0.001	0.000	0.000	0.000	0.000
437	B	455	ILE	0	-0.040	-0.039	57.714	0.001	0.001	0.000	0.000	0.000	0.000
438	B	456	ARG	1	0.967	0.978	60.939	0.045	0.045	0.000	0.000	0.000	0.000
439	B	457	GLY	0	0.045	0.028	63.595	0.001	0.001	0.000	0.000	0.000	0.000
440	B	458	PHE	0	0.054	0.002	59.116	0.001	0.001	0.000	0.000	0.000	0.000
441	B	459	GLN	0	-0.050	-0.007	63.960	0.001	0.001	0.000	0.000	0.000	0.000
442	B	460	LEU	0	0.002	0.000	66.272	0.001	0.001	0.000	0.000	0.000	0.000
443	B	461	ILE	0	-0.016	0.002	64.294	0.001	0.001	0.000	0.000	0.000	0.000
444	B	462	LEU	0	-0.086	-0.056	63.603	0.001	0.001	0.000	0.000	0.000	0.000
445	B	463	SER	0	-0.034	-0.037	67.979	0.000	0.000	0.000	0.000	0.000	0.000
446	B	464	GLY	0	-0.042	-0.040	71.183	0.001	0.001	0.000	0.000	0.000	0.000
447	B	465	GLU	-1	-0.902	-0.911	72.467	-0.038	-0.038	0.000	0.000	0.000	0.000
448	B	466	LEU	0	0.017	-0.007	69.298	0.000	0.000	0.000	0.000	0.000	0.000
449	B	467	ASP	-1	-0.822	-0.931	72.659	-0.040	-0.040	0.000	0.000	0.000	0.000
450	B	468	SER	0	-0.081	-0.033	74.347	0.000	0.000	0.000	0.000	0.000	0.000
451	B	469	LEU	0	0.016	0.021	71.136	0.000	0.000	0.000	0.000	0.000	0.000
452	B	470	PRO	0	0.022	0.007	71.614	-0.001	-0.001	0.000	0.000	0.000	0.000
453	B	471	GLU	-1	-0.745	-0.897	67.395	-0.048	-0.048	0.000	0.000	0.000	0.000
454	B	472	GLN	0	-0.041	-0.024	64.894	-0.001	-0.001	0.000	0.000	0.000	0.000
455	B	473	ALA	0	0.004	0.010	67.503	0.000	0.000	0.000	0.000	0.000	0.000
456	B	474	PHE	0	0.035	0.016	64.376	0.000	0.000	0.000	0.000	0.000	0.000
457	B	475	TYR	0	-0.060	-0.023	59.704	-0.001	-0.001	0.000	0.000	0.000	0.000
458	B	476	LEU	0	-0.040	-0.023	58.018	0.001	0.001	0.000	0.000	0.000	0.000
459	B	477	VAL	0	0.018	0.032	60.844	0.001	0.001	0.000	0.000	0.000	0.000
460	B	478	GLY	0	0.005	-0.015	60.060	-0.002	-0.002	0.000	0.000	0.000	0.000
461	B	479	ASN	0	0.036	0.003	60.677	-0.003	-0.003	0.000	0.000	0.000	0.000
462	B	480	ILE	0	0.062	0.021	63.118	0.000	0.000	0.000	0.000	0.000	0.000
463	B	481	ASP	-1	-0.876	-0.930	66.031	-0.041	-0.041	0.000	0.000	0.000	0.000
464	B	482	GLU	-1	-0.877	-0.935	63.219	-0.050	-0.050	0.000	0.000	0.000	0.000
465	B	483	ALA	0	-0.019	-0.013	65.892	0.000	0.000	0.000	0.000	0.000	0.000
466	B	484	THR	0	-0.058	-0.024	67.688	0.001	0.001	0.000	0.000	0.000	0.000
467	B	485	ALA	0	-0.057	-0.018	69.758	0.001	0.001	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(B:19:ASN)