FMO DATABASE

FMODB ID: G67R1

Calculation Name: 2DC0-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2DC0

Chain ID: A

ChEMBL ID:

UniProt ID: Q5SHD3

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	434
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7733540.525529
FMO2-HF: Nuclear repulsion	7573611.686363
FMO2-HF: Total energy	-159928.839167
FMO2-MP2: Total energy	-160407.122649

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:MET)

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

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.
-18.867	-8.327	8.103	-6.613	-12.029	-0.025

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.012 / q_NPA : 0.016

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	3	LEU	0	0.007	-0.007	3.519	-0.149	1.977	0.012	-1.166	-0.972	0.000
4	A	4	LEU	0	-0.008	-0.005	6.287	0.588	0.588	0.000	0.000	0.000	0.000
5	A	5	GLU	-1	-0.921	-0.952	2.245	-6.140	-2.551	3.709	-3.330	-3.968	-0.031
6	A	6	ALA	0	0.032	0.005	3.085	-0.214	0.482	1.531	-0.628	-1.599	0.001
7	A	7	LYS	1	0.840	0.915	4.333	-1.538	-1.548	0.025	0.179	-0.193	0.001
8	A	8	ARG	1	0.984	0.997	7.015	-0.611	-0.611	0.000	0.000	0.000	0.000
9	A	9	LEU	0	-0.023	-0.009	3.403	-0.982	-0.395	0.399	-0.186	-0.800	0.001
10	A	10	LEU	0	-0.012	0.003	7.422	-0.445	-0.445	0.000	0.000	0.000	0.000
11	A	11	GLU	-1	-0.849	-0.914	9.420	0.278	0.278	0.000	0.000	0.000	0.000
12	A	12	THR	0	-0.102	-0.058	10.523	-0.124	-0.124	0.000	0.000	0.000	0.000
13	A	13	GLY	0	0.011	0.009	12.035	-0.057	-0.057	0.000	0.000	0.000	0.000
14	A	14	ARG	1	0.882	0.941	8.485	-0.645	-0.645	0.000	0.000	0.000	0.000
15	A	15	THR	0	0.025	0.011	4.410	-0.235	-0.134	-0.001	-0.008	-0.092	0.000
16	A	16	THR	0	0.001	-0.004	7.080	-0.071	-0.071	0.000	0.000	0.000	0.000
17	A	17	PRO	0	0.030	0.021	7.145	-0.081	-0.081	0.000	0.000	0.000	0.000
18	A	18	LEU	0	0.013	0.016	8.377	-0.132	-0.132	0.000	0.000	0.000	0.000
19	A	19	ALA	0	-0.011	0.000	6.614	-0.108	-0.108	0.000	0.000	0.000	0.000
20	A	20	LEU	0	-0.025	-0.012	2.424	-1.028	-0.576	1.000	-0.213	-1.239	-0.001
21	A	21	LEU	0	-0.003	0.003	4.603	-0.416	-0.392	-0.001	-0.002	-0.020	0.000
22	A	22	GLU	-1	-0.761	-0.861	7.860	-0.519	-0.519	0.000	0.000	0.000	0.000
23	A	23	GLU	-1	-0.873	-0.925	2.897	-3.326	-2.802	0.159	-0.101	-0.582	-0.001
24	A	24	ALA	0	-0.017	-0.005	5.967	0.176	0.176	0.000	0.000	0.000	0.000
25	A	25	LEU	0	-0.034	-0.026	7.037	0.234	0.234	0.000	0.000	0.000	0.000
26	A	26	GLU	-1	-0.928	-0.960	9.238	-0.585	-0.585	0.000	0.000	0.000	0.000
27	A	27	ARG	1	0.814	0.907	6.776	1.291	1.291	0.000	0.000	0.000	0.000
28	A	28	ALA	0	-0.019	-0.024	9.930	0.154	0.154	0.000	0.000	0.000	0.000
29	A	29	LYS	1	0.845	0.906	12.436	0.475	0.475	0.000	0.000	0.000	0.000
30	A	30	ALA	0	-0.024	-0.005	12.445	0.062	0.062	0.000	0.000	0.000	0.000
31	A	31	PHE	0	-0.029	-0.018	11.249	0.081	0.081	0.000	0.000	0.000	0.000
32	A	32	GLN	0	0.016	0.031	15.249	0.031	0.031	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.884	-0.948	17.332	-0.167	-0.167	0.000	0.000	0.000	0.000
34	A	34	ARG	1	0.778	0.874	16.178	0.175	0.175	0.000	0.000	0.000	0.000
35	A	35	ASN	0	-0.060	-0.039	19.101	0.008	0.008	0.000	0.000	0.000	0.000
36	A	36	ALA	0	0.025	0.018	15.271	0.019	0.019	0.000	0.000	0.000	0.000
37	A	37	LEU	0	-0.012	-0.013	13.587	0.006	0.006	0.000	0.000	0.000	0.000
38	A	38	ALA	0	0.002	0.010	17.705	0.013	0.013	0.000	0.000	0.000	0.000
39	A	39	TYR	0	-0.059	-0.060	19.305	0.017	0.017	0.000	0.000	0.000	0.000
40	A	40	LEU	0	0.004	0.005	14.228	-0.018	-0.018	0.000	0.000	0.000	0.000
41	A	41	ASP	-1	-0.800	-0.880	17.098	-0.130	-0.130	0.000	0.000	0.000	0.000
42	A	42	GLU	-1	-0.732	-0.871	15.171	-0.361	-0.361	0.000	0.000	0.000	0.000
43	A	43	GLU	-1	-0.927	-0.949	16.236	-0.140	-0.140	0.000	0.000	0.000	0.000
44	A	44	ALA	0	-0.025	-0.013	18.686	0.015	0.015	0.000	0.000	0.000	0.000
45	A	45	ALA	0	-0.003	-0.002	13.492	0.015	0.015	0.000	0.000	0.000	0.000
46	A	46	ARG	1	0.802	0.845	13.232	0.362	0.362	0.000	0.000	0.000	0.000
47	A	47	LYS	1	0.941	0.978	15.070	0.086	0.086	0.000	0.000	0.000	0.000
48	A	48	GLU	-1	-0.815	-0.896	15.719	0.009	0.009	0.000	0.000	0.000	0.000
49	A	49	ALA	0	0.039	0.016	11.351	0.034	0.034	0.000	0.000	0.000	0.000
50	A	50	LEU	0	-0.017	0.007	13.243	0.050	0.050	0.000	0.000	0.000	0.000
51	A	51	ALA	0	-0.018	0.004	15.626	0.029	0.029	0.000	0.000	0.000	0.000
52	A	52	LEU	0	0.056	0.025	13.379	0.024	0.024	0.000	0.000	0.000	0.000
53	A	53	THR	0	-0.021	-0.034	12.233	0.065	0.065	0.000	0.000	0.000	0.000
54	A	54	GLU	-1	-0.842	-0.918	13.861	0.087	0.087	0.000	0.000	0.000	0.000
55	A	55	GLU	-1	-0.862	-0.909	17.202	0.066	0.066	0.000	0.000	0.000	0.000
56	A	56	LEU	0	-0.007	0.004	11.785	0.006	0.006	0.000	0.000	0.000	0.000
57	A	57	ARG	1	0.850	0.908	14.731	-0.054	-0.054	0.000	0.000	0.000	0.000
58	A	58	ARG	1	0.870	0.952	17.549	-0.073	-0.073	0.000	0.000	0.000	0.000
59	A	59	GLY	0	0.025	0.007	19.155	-0.013	-0.013	0.000	0.000	0.000	0.000
60	A	60	GLN	0	-0.083	-0.033	19.805	-0.007	-0.007	0.000	0.000	0.000	0.000
61	A	61	VAL	0	-0.004	-0.010	15.836	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	62	ARG	1	0.751	0.824	17.871	-0.058	-0.058	0.000	0.000	0.000	0.000
63	A	63	GLY	0	0.031	0.020	17.512	-0.021	-0.021	0.000	0.000	0.000	0.000
64	A	64	PRO	0	-0.016	-0.013	14.724	0.039	0.039	0.000	0.000	0.000	0.000
65	A	65	LEU	0	-0.001	-0.009	11.679	0.057	0.057	0.000	0.000	0.000	0.000
66	A	66	HIS	0	-0.052	-0.012	12.050	-0.016	-0.016	0.000	0.000	0.000	0.000
67	A	67	GLY	0	-0.015	-0.007	10.794	0.099	0.099	0.000	0.000	0.000	0.000
68	A	68	LEU	0	0.001	0.000	6.932	0.037	0.037	0.000	0.000	0.000	0.000
69	A	69	PRO	0	-0.024	0.008	5.437	-0.076	-0.076	0.000	0.000	0.000	0.000
70	A	70	LEU	0	-0.002	-0.006	7.655	-0.134	-0.134	0.000	0.000	0.000	0.000
71	A	71	THR	0	0.028	0.029	10.474	0.028	0.028	0.000	0.000	0.000	0.000
72	A	72	VAL	0	-0.007	-0.008	13.359	0.033	0.033	0.000	0.000	0.000	0.000
73	A	73	LYS	1	0.877	0.947	17.069	0.055	0.055	0.000	0.000	0.000	0.000
74	A	74	ASP	-1	-0.817	-0.934	19.867	-0.085	-0.085	0.000	0.000	0.000	0.000
75	A	75	LEU	0	0.020	0.007	22.629	0.006	0.006	0.000	0.000	0.000	0.000
76	A	76	PHE	0	-0.016	-0.012	21.016	0.011	0.011	0.000	0.000	0.000	0.000
77	A	77	PRO	0	0.026	0.031	22.712	-0.011	-0.011	0.000	0.000	0.000	0.000
78	A	78	VAL	0	0.016	-0.008	18.856	0.005	0.005	0.000	0.000	0.000	0.000
79	A	79	LYS	1	0.821	0.894	22.215	0.028	0.028	0.000	0.000	0.000	0.000
80	A	80	GLY	0	-0.007	0.002	22.031	-0.006	-0.006	0.000	0.000	0.000	0.000
81	A	81	MET	0	-0.030	0.006	16.885	-0.011	-0.011	0.000	0.000	0.000	0.000
82	A	82	PRO	0	0.005	0.018	22.952	0.011	0.011	0.000	0.000	0.000	0.000
83	A	83	THR	0	-0.040	-0.042	23.795	-0.005	-0.005	0.000	0.000	0.000	0.000
84	A	84	ARG	1	0.909	0.936	25.576	0.093	0.093	0.000	0.000	0.000	0.000
85	A	85	ALA	0	0.014	0.011	26.136	0.005	0.005	0.000	0.000	0.000	0.000
86	A	86	GLY	0	-0.016	-0.003	26.131	0.004	0.004	0.000	0.000	0.000	0.000
87	A	87	THR	0	-0.007	-0.030	27.048	0.004	0.004	0.000	0.000	0.000	0.000
88	A	88	LYN	0	0.003	0.023	30.279	-0.006	-0.006	0.000	0.000	0.000	0.000
89	A	89	ALA	0	-0.013	0.013	33.582	0.002	0.002	0.000	0.000	0.000	0.000
90	A	90	PRO	0	-0.065	-0.025	34.297	-0.002	-0.002	0.000	0.000	0.000	0.000
91	A	91	LEU	0	0.043	0.009	29.755	0.003	0.003	0.000	0.000	0.000	0.000
92	A	92	PRO	0	-0.004	-0.006	33.941	0.001	0.001	0.000	0.000	0.000	0.000
93	A	93	PRO	0	-0.027	0.001	33.901	-0.003	-0.003	0.000	0.000	0.000	0.000
94	A	94	LEU	0	-0.005	-0.002	28.902	0.002	0.002	0.000	0.000	0.000	0.000
95	A	95	PRO	0	-0.033	-0.001	29.063	0.000	0.000	0.000	0.000	0.000	0.000
96	A	96	GLU	-1	-0.776	-0.884	26.717	-0.040	-0.040	0.000	0.000	0.000	0.000
97	A	97	GLU	-1	-0.793	-0.880	23.112	-0.022	-0.022	0.000	0.000	0.000	0.000
98	A	98	ALA	0	0.024	0.025	23.914	0.006	0.006	0.000	0.000	0.000	0.000
99	A	99	ARG	1	0.770	0.853	24.046	-0.012	-0.012	0.000	0.000	0.000	0.000
100	A	100	ALA	0	0.062	0.029	21.081	0.006	0.006	0.000	0.000	0.000	0.000
101	A	101	VAL	0	0.025	0.004	19.427	0.001	0.001	0.000	0.000	0.000	0.000
102	A	102	ARG	1	0.784	0.891	19.844	0.013	0.013	0.000	0.000	0.000	0.000
103	A	103	ARG	1	0.858	0.941	20.448	-0.023	-0.023	0.000	0.000	0.000	0.000
104	A	104	LEU	0	0.019	0.017	14.916	0.014	0.014	0.000	0.000	0.000	0.000
105	A	105	ARG	1	0.866	0.908	16.759	0.024	0.024	0.000	0.000	0.000	0.000
106	A	106	GLU	-1	-0.854	-0.906	18.625	0.035	0.035	0.000	0.000	0.000	0.000
107	A	107	ALA	0	0.008	0.005	16.736	0.012	0.012	0.000	0.000	0.000	0.000
108	A	108	GLY	0	0.035	0.003	16.126	0.038	0.038	0.000	0.000	0.000	0.000
109	A	109	ALA	0	-0.013	0.004	12.637	0.018	0.018	0.000	0.000	0.000	0.000
110	A	110	LEU	0	-0.018	-0.003	9.688	-0.023	-0.023	0.000	0.000	0.000	0.000
111	A	111	LEU	0	-0.043	-0.029	11.520	-0.074	-0.074	0.000	0.000	0.000	0.000
112	A	112	PHE	0	0.030	0.009	9.174	0.009	0.009	0.000	0.000	0.000	0.000
113	A	113	ALA	0	0.005	0.001	13.665	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	114	LYS	1	0.817	0.929	15.413	0.117	0.117	0.000	0.000	0.000	0.000
115	A	115	THR	0	-0.022	-0.026	15.085	-0.016	-0.016	0.000	0.000	0.000	0.000
116	A	116	ASN	0	-0.018	-0.024	17.971	0.035	0.035	0.000	0.000	0.000	0.000
117	A	117	MET	0	-0.062	-0.016	20.476	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	118	HIS	0	0.017	0.018	23.224	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	119	GLU	-1	-0.663	-0.791	26.557	-0.046	-0.046	0.000	0.000	0.000	0.000
120	A	120	ILE	0	-0.020	-0.015	29.240	0.005	0.005	0.000	0.000	0.000	0.000
121	A	121	ALA	0	-0.032	-0.015	26.813	0.004	0.004	0.000	0.000	0.000	0.000
122	A	122	LEU	0	-0.010	-0.001	27.821	0.004	0.004	0.000	0.000	0.000	0.000
123	A	123	GLY	0	0.008	-0.012	28.955	0.001	0.001	0.000	0.000	0.000	0.000
124	A	124	ILE	0	-0.005	-0.015	26.246	-0.003	-0.003	0.000	0.000	0.000	0.000
125	A	125	THR	0	0.055	0.030	25.729	0.001	0.001	0.000	0.000	0.000	0.000
126	A	126	GLY	0	0.036	0.025	23.844	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	127	GLU	-1	-0.874	-0.927	24.816	-0.052	-0.052	0.000	0.000	0.000	0.000
128	A	128	ASN	0	-0.035	-0.041	26.732	0.008	0.008	0.000	0.000	0.000	0.000
129	A	129	PRO	0	-0.003	-0.005	28.816	-0.004	-0.004	0.000	0.000	0.000	0.000
130	A	130	TRP	0	-0.066	-0.031	29.775	-0.004	-0.004	0.000	0.000	0.000	0.000
131	A	131	THR	0	-0.023	-0.022	24.762	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	132	GLY	0	0.042	0.056	25.619	-0.010	-0.010	0.000	0.000	0.000	0.000
133	A	133	PRO	0	-0.026	-0.017	25.869	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	134	VAL	0	-0.015	0.008	19.826	-0.011	-0.011	0.000	0.000	0.000	0.000
135	A	135	ARG	1	0.874	0.936	20.485	0.115	0.115	0.000	0.000	0.000	0.000
136	A	136	ASN	0	-0.038	-0.040	17.799	-0.009	-0.009	0.000	0.000	0.000	0.000
137	A	137	ALA	0	0.049	0.021	13.197	-0.018	-0.018	0.000	0.000	0.000	0.000
138	A	138	VAL	0	-0.036	-0.011	14.631	-0.014	-0.014	0.000	0.000	0.000	0.000
139	A	139	ASP	-1	-0.769	-0.865	16.465	-0.050	-0.050	0.000	0.000	0.000	0.000
140	A	140	PRO	0	0.009	0.006	19.679	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	141	SER	0	-0.034	-0.037	21.458	-0.002	-0.002	0.000	0.000	0.000	0.000
142	A	142	ARG	1	0.759	0.857	21.901	0.013	0.013	0.000	0.000	0.000	0.000
143	A	143	GLN	0	0.036	0.009	22.751	-0.008	-0.008	0.000	0.000	0.000	0.000
144	A	144	ALA	0	0.013	0.014	19.466	0.009	0.009	0.000	0.000	0.000	0.000
145	A	145	GLY	0	0.048	0.033	19.994	0.009	0.009	0.000	0.000	0.000	0.000
146	A	146	GLY	0	-0.025	-0.022	22.350	-0.015	-0.015	0.000	0.000	0.000	0.000
147	A	147	SER	0	0.017	0.021	23.524	0.008	0.008	0.000	0.000	0.000	0.000
148	A	148	SER	0	-0.033	-0.048	19.026	-0.011	-0.011	0.000	0.000	0.000	0.000
149	A	149	GLY	0	0.074	0.036	18.534	-0.008	-0.008	0.000	0.000	0.000	0.000
150	A	150	GLY	0	0.016	0.014	17.837	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	151	SER	0	0.018	0.001	14.934	-0.031	-0.031	0.000	0.000	0.000	0.000
152	A	152	ALA	0	-0.004	0.015	13.487	-0.037	-0.037	0.000	0.000	0.000	0.000
153	A	153	VAL	0	0.002	0.003	13.070	0.009	0.009	0.000	0.000	0.000	0.000
154	A	154	ALA	0	0.014	0.000	11.635	-0.018	-0.018	0.000	0.000	0.000	0.000
155	A	155	VAL	0	-0.021	0.012	9.046	-0.134	-0.134	0.000	0.000	0.000	0.000
156	A	156	ALA	0	0.006	0.004	8.177	0.042	0.042	0.000	0.000	0.000	0.000
157	A	157	LEU	0	-0.050	-0.021	8.307	0.163	0.163	0.000	0.000	0.000	0.000
158	A	158	GLY	0	0.035	0.034	6.528	-0.141	-0.141	0.000	0.000	0.000	0.000
159	A	159	ILE	0	-0.043	-0.001	6.368	-0.336	-0.336	0.000	0.000	0.000	0.000
160	A	160	GLY	0	0.027	-0.007	6.742	0.264	0.264	0.000	0.000	0.000	0.000
161	A	161	LEU	0	-0.061	-0.025	2.431	-1.380	-0.446	1.242	-0.405	-1.771	-0.001
162	A	162	ALA	0	0.018	-0.004	5.940	0.136	0.136	0.000	0.000	0.000	0.000
163	A	163	SER	0	-0.026	-0.011	9.502	0.003	0.003	0.000	0.000	0.000	0.000
164	A	164	LEU	0	0.000	0.016	13.102	0.036	0.036	0.000	0.000	0.000	0.000
165	A	165	GLY	0	0.032	0.000	16.688	-0.012	-0.012	0.000	0.000	0.000	0.000
166	A	166	THR	0	0.023	-0.001	19.421	0.007	0.007	0.000	0.000	0.000	0.000
167	A	167	ASP	-1	-0.753	-0.873	22.840	-0.004	-0.004	0.000	0.000	0.000	0.000
168	A	168	THR	0	0.070	0.013	24.698	0.003	0.003	0.000	0.000	0.000	0.000
169	A	169	GLY	0	0.001	0.009	27.482	0.003	0.003	0.000	0.000	0.000	0.000
170	A	170	GLY	0	0.070	0.043	25.241	0.003	0.003	0.000	0.000	0.000	0.000
171	A	171	SER	0	-0.066	-0.013	23.638	0.002	0.002	0.000	0.000	0.000	0.000
172	A	172	ILE	0	-0.042	0.025	18.083	-0.012	-0.012	0.000	0.000	0.000	0.000
173	A	173	ARG	1	0.806	0.862	19.410	-0.012	-0.012	0.000	0.000	0.000	0.000
174	A	174	ILE	0	0.051	0.030	20.191	0.010	0.010	0.000	0.000	0.000	0.000
175	A	175	PRO	0	-0.050	-0.011	18.680	0.007	0.007	0.000	0.000	0.000	0.000
176	A	176	ALA	0	0.016	0.011	15.869	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	177	GLY	0	0.031	0.018	16.002	0.028	0.028	0.000	0.000	0.000	0.000
178	A	178	PHE	0	-0.029	-0.022	18.062	0.014	0.014	0.000	0.000	0.000	0.000
179	A	179	ASN	0	-0.043	-0.030	14.356	-0.019	-0.019	0.000	0.000	0.000	0.000
180	A	180	GLY	0	-0.032	-0.002	13.645	0.021	0.021	0.000	0.000	0.000	0.000
181	A	181	VAL	0	-0.048	-0.016	10.125	0.102	0.102	0.000	0.000	0.000	0.000
182	A	182	VAL	0	0.025	0.015	11.473	-0.019	-0.019	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.004	-0.006	13.591	-0.044	-0.044	0.000	0.000	0.000	0.000
184	A	184	PHE	0	-0.013	-0.005	16.254	0.014	0.014	0.000	0.000	0.000	0.000
185	A	185	LYS	1	0.773	0.881	18.741	-0.025	-0.025	0.000	0.000	0.000	0.000
186	A	186	PRO	0	0.040	0.009	21.216	0.005	0.005	0.000	0.000	0.000	0.000
187	A	187	SER	0	-0.008	-0.033	23.703	-0.003	-0.003	0.000	0.000	0.000	0.000
188	A	188	TYR	0	-0.052	-0.037	27.370	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	189	GLY	0	-0.015	-0.004	28.923	0.002	0.002	0.000	0.000	0.000	0.000
190	A	190	ARG	1	0.750	0.867	24.076	-0.033	-0.033	0.000	0.000	0.000	0.000
191	A	191	VAL	0	0.011	0.011	21.390	0.002	0.002	0.000	0.000	0.000	0.000
192	A	192	SER	0	0.014	0.002	24.528	-0.005	-0.005	0.000	0.000	0.000	0.000
193	A	193	LEU	0	0.031	0.002	25.566	-0.004	-0.004	0.000	0.000	0.000	0.000
194	A	194	GLU	-1	-0.880	-0.932	27.415	-0.008	-0.008	0.000	0.000	0.000	0.000
195	A	195	GLY	0	0.028	-0.010	27.885	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	196	ALA	0	-0.009	-0.002	26.047	-0.005	-0.005	0.000	0.000	0.000	0.000
197	A	197	LEU	0	-0.007	-0.002	27.566	0.004	0.004	0.000	0.000	0.000	0.000
198	A	198	PRO	0	-0.070	-0.025	28.766	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	199	LEU	0	-0.050	-0.033	30.048	-0.002	-0.002	0.000	0.000	0.000	0.000
200	A	200	SER	0	0.000	-0.037	31.937	0.002	0.002	0.000	0.000	0.000	0.000
201	A	201	ARG	1	1.004	1.001	32.735	0.010	0.010	0.000	0.000	0.000	0.000
202	A	202	SER	0	-0.063	-0.028	33.774	0.002	0.002	0.000	0.000	0.000	0.000
203	A	203	THR	0	0.042	0.014	31.721	0.003	0.003	0.000	0.000	0.000	0.000
204	A	204	ASP	-1	-0.778	-0.862	28.432	-0.019	-0.019	0.000	0.000	0.000	0.000
205	A	205	HIS	0	0.015	0.011	25.091	0.007	0.007	0.000	0.000	0.000	0.000
206	A	206	ALA	0	0.011	0.001	22.219	-0.006	-0.006	0.000	0.000	0.000	0.000
207	A	207	GLY	0	0.022	0.006	19.856	0.010	0.010	0.000	0.000	0.000	0.000
208	A	208	PRO	0	-0.017	0.003	14.352	-0.016	-0.016	0.000	0.000	0.000	0.000
209	A	209	LEU	0	-0.021	-0.015	13.615	0.019	0.019	0.000	0.000	0.000	0.000
210	A	210	THR	0	-0.018	-0.036	9.944	-0.063	-0.063	0.000	0.000	0.000	0.000
211	A	211	ARG	1	0.891	0.924	3.357	-4.228	-2.777	0.029	-0.750	-0.731	0.006
212	A	212	SER	0	0.007	-0.005	7.047	0.305	0.305	0.000	0.000	0.000	0.000
213	A	213	VAL	0	-0.014	-0.015	8.957	-0.076	-0.076	0.000	0.000	0.000	0.000
214	A	214	ARG	1	0.780	0.869	4.638	0.397	0.463	-0.001	-0.003	-0.062	0.000
215	A	215	ASP	-1	-0.745	-0.885	7.690	-0.396	-0.396	0.000	0.000	0.000	0.000
216	A	216	ALA	0	-0.021	0.000	10.459	0.013	0.013	0.000	0.000	0.000	0.000
217	A	217	HIS	0	-0.001	0.014	13.666	0.000	0.000	0.000	0.000	0.000	0.000
218	A	218	PHE	0	0.027	0.017	10.432	0.005	0.005	0.000	0.000	0.000	0.000
219	A	219	LEU	0	-0.004	-0.017	11.910	0.007	0.007	0.000	0.000	0.000	0.000
220	A	220	THR	0	-0.012	-0.035	14.578	-0.007	-0.007	0.000	0.000	0.000	0.000
221	A	221	GLU	-1	-0.809	-0.892	17.643	0.085	0.085	0.000	0.000	0.000	0.000
222	A	222	ILE	0	-0.050	-0.019	15.649	0.000	0.000	0.000	0.000	0.000	0.000
223	A	223	LEU	0	-0.043	-0.029	16.772	-0.008	-0.008	0.000	0.000	0.000	0.000
224	A	224	ALA	0	0.017	0.018	19.927	-0.005	-0.005	0.000	0.000	0.000	0.000
225	A	225	GLY	0	-0.060	-0.029	21.872	-0.003	-0.003	0.000	0.000	0.000	0.000
226	A	226	GLU	-1	-0.889	-0.933	22.572	0.035	0.035	0.000	0.000	0.000	0.000
227	A	227	SER	0	-0.023	-0.005	21.783	0.003	0.003	0.000	0.000	0.000	0.000
228	A	228	ILE	0	-0.041	-0.033	20.741	-0.007	-0.007	0.000	0.000	0.000	0.000
229	A	229	PRO	0	0.012	0.002	21.054	0.004	0.004	0.000	0.000	0.000	0.000
230	A	230	LEU	0	-0.029	-0.011	16.647	-0.003	-0.003	0.000	0.000	0.000	0.000
231	A	231	GLU	-1	-0.916	-0.957	21.140	0.065	0.065	0.000	0.000	0.000	0.000
232	A	232	GLY	0	-0.020	-0.008	22.870	0.003	0.003	0.000	0.000	0.000	0.000
233	A	233	VAL	0	-0.011	-0.009	22.018	-0.004	-0.004	0.000	0.000	0.000	0.000
234	A	234	GLN	0	-0.038	-0.031	24.122	0.003	0.003	0.000	0.000	0.000	0.000
235	A	235	ASN	0	-0.040	-0.019	26.936	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	236	PRO	0	0.022	0.042	24.548	-0.003	-0.003	0.000	0.000	0.000	0.000
237	A	237	VAL	0	-0.006	-0.007	27.737	0.000	0.000	0.000	0.000	0.000	0.000
238	A	238	PHE	0	0.033	0.001	23.441	0.001	0.001	0.000	0.000	0.000	0.000
239	A	239	GLY	0	0.024	0.014	29.112	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	240	VAL	0	0.014	-0.010	29.874	0.002	0.002	0.000	0.000	0.000	0.000
241	A	241	PRO	0	0.003	0.013	31.226	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	242	LEU	0	0.013	-0.011	33.665	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	243	ASP	-1	-0.730	-0.832	35.682	0.019	0.019	0.000	0.000	0.000	0.000
244	A	244	PHE	0	-0.054	-0.021	32.379	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	245	LEU	0	-0.023	-0.029	30.609	0.000	0.000	0.000	0.000	0.000	0.000
246	A	246	GLU	-1	-0.950	-0.946	34.516	0.016	0.016	0.000	0.000	0.000	0.000
247	A	247	GLY	0	0.000	0.001	37.425	-0.002	-0.002	0.000	0.000	0.000	0.000
248	A	248	ARG	1	0.837	0.916	33.747	-0.011	-0.011	0.000	0.000	0.000	0.000
249	A	249	LEU	0	-0.016	-0.008	29.056	0.001	0.001	0.000	0.000	0.000	0.000
250	A	250	GLY	0	0.059	0.031	30.546	-0.003	-0.003	0.000	0.000	0.000	0.000
251	A	251	VAL	0	0.015	-0.004	30.867	0.004	0.004	0.000	0.000	0.000	0.000
252	A	252	GLU	-1	-0.804	-0.889	28.158	0.033	0.033	0.000	0.000	0.000	0.000
253	A	253	VAL	0	0.013	0.020	25.615	0.006	0.006	0.000	0.000	0.000	0.000
254	A	254	ARG	1	0.865	0.911	27.555	-0.020	-0.020	0.000	0.000	0.000	0.000
255	A	255	LYS	1	0.807	0.898	30.017	-0.029	-0.029	0.000	0.000	0.000	0.000
256	A	256	ALA	0	-0.011	-0.003	24.558	0.003	0.003	0.000	0.000	0.000	0.000
257	A	257	PHE	0	0.014	-0.010	25.756	0.005	0.005	0.000	0.000	0.000	0.000
258	A	258	THR	0	0.005	-0.020	27.170	0.001	0.001	0.000	0.000	0.000	0.000
259	A	259	ARG	1	0.830	0.896	23.038	-0.082	-0.082	0.000	0.000	0.000	0.000
260	A	260	LEU	0	0.019	0.018	22.597	0.002	0.002	0.000	0.000	0.000	0.000
261	A	261	LEU	0	-0.023	-0.016	26.034	0.001	0.001	0.000	0.000	0.000	0.000
262	A	262	GLU	-1	-0.919	-0.958	29.214	0.039	0.039	0.000	0.000	0.000	0.000
263	A	263	ASP	-1	-0.852	-0.904	25.420	0.075	0.075	0.000	0.000	0.000	0.000
264	A	264	LEU	0	-0.030	-0.017	24.151	0.002	0.002	0.000	0.000	0.000	0.000
265	A	265	PRO	0	0.062	0.033	27.136	0.001	0.001	0.000	0.000	0.000	0.000
266	A	266	ALA	0	-0.011	0.006	28.112	0.000	0.000	0.000	0.000	0.000	0.000
267	A	267	LEU	0	-0.058	-0.031	22.279	0.001	0.001	0.000	0.000	0.000	0.000
268	A	268	ARG	1	0.818	0.905	25.179	-0.054	-0.054	0.000	0.000	0.000	0.000
269	A	269	ALA	0	0.023	0.014	26.083	0.001	0.001	0.000	0.000	0.000	0.000
270	A	270	GLU	-1	-0.827	-0.874	28.145	0.036	0.036	0.000	0.000	0.000	0.000
271	A	271	VAL	0	0.006	-0.003	29.332	0.002	0.002	0.000	0.000	0.000	0.000
272	A	272	ARG	1	0.762	0.844	31.831	-0.038	-0.038	0.000	0.000	0.000	0.000
273	A	273	GLU	-1	-0.890	-0.942	33.991	0.026	0.026	0.000	0.000	0.000	0.000
274	A	274	VAL	0	-0.075	-0.040	34.275	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	275	SER	0	-0.045	-0.042	37.080	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	276	LEU	0	-0.054	-0.049	33.743	0.001	0.001	0.000	0.000	0.000	0.000
277	A	277	PRO	0	0.027	0.015	37.664	0.000	0.000	0.000	0.000	0.000	0.000
278	A	278	LEU	0	-0.039	-0.024	35.415	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	279	GLU	-1	-0.897	-0.948	39.668	0.007	0.007	0.000	0.000	0.000	0.000
280	A	280	GLY	0	0.031	0.015	42.219	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	281	VAL	0	0.005	-0.001	36.339	-0.002	-0.002	0.000	0.000	0.000	0.000
282	A	282	TYR	0	0.037	0.016	35.482	-0.002	-0.002	0.000	0.000	0.000	0.000
283	A	283	GLU	-1	-0.830	-0.895	37.962	-0.004	-0.004	0.000	0.000	0.000	0.000
284	A	284	VAL	0	-0.005	0.014	39.841	-0.002	-0.002	0.000	0.000	0.000	0.000
285	A	285	TYR	0	0.010	-0.019	31.146	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	286	THR	0	-0.038	-0.034	37.062	-0.003	-0.003	0.000	0.000	0.000	0.000
287	A	287	ARG	1	0.821	0.895	38.025	0.002	0.002	0.000	0.000	0.000	0.000
288	A	288	LEU	0	0.023	0.024	36.923	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	289	VAL	0	0.008	-0.001	33.153	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	290	ARG	1	0.784	0.865	36.404	0.014	0.014	0.000	0.000	0.000	0.000
291	A	291	TYR	0	0.002	0.012	38.339	-0.002	-0.002	0.000	0.000	0.000	0.000
292	A	292	GLU	-1	-0.753	-0.817	36.460	-0.008	-0.008	0.000	0.000	0.000	0.000
293	A	293	ALA	0	0.026	0.020	35.091	-0.001	-0.001	0.000	0.000	0.000	0.000
294	A	294	ALA	0	-0.014	-0.019	36.547	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	295	ARG	1	0.790	0.902	39.861	0.012	0.012	0.000	0.000	0.000	0.000
296	A	296	ILE	0	-0.090	-0.026	34.282	0.000	0.000	0.000	0.000	0.000	0.000
297	A	297	HIS	0	0.022	0.001	33.270	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	298	GLU	-1	-0.873	-0.926	38.455	-0.015	-0.015	0.000	0.000	0.000	0.000
299	A	299	LYS	1	0.844	0.892	41.500	0.024	0.024	0.000	0.000	0.000	0.000
300	A	300	ALA	0	0.021	0.015	38.209	0.000	0.000	0.000	0.000	0.000	0.000
301	A	301	LEU	0	0.022	0.002	40.247	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	302	LYS	1	0.939	0.971	41.660	0.018	0.018	0.000	0.000	0.000	0.000
303	A	303	GLU	-1	-0.892	-0.935	43.051	-0.024	-0.024	0.000	0.000	0.000	0.000
304	A	304	HIS	1	0.855	0.937	40.300	0.031	0.031	0.000	0.000	0.000	0.000
305	A	305	PRO	0	0.043	0.042	40.323	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	306	GLU	-1	-0.869	-0.947	40.443	-0.034	-0.034	0.000	0.000	0.000	0.000
307	A	307	GLY	0	0.035	0.022	37.252	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	308	PHE	0	-0.001	-0.006	34.613	-0.003	-0.003	0.000	0.000	0.000	0.000
309	A	309	SER	0	-0.009	-0.024	33.747	0.002	0.002	0.000	0.000	0.000	0.000
310	A	310	PRO	0	-0.003	-0.025	35.848	0.003	0.003	0.000	0.000	0.000	0.000
311	A	311	GLN	0	0.052	0.034	32.632	0.000	0.000	0.000	0.000	0.000	0.000
312	A	312	VAL	0	0.031	0.019	32.772	0.003	0.003	0.000	0.000	0.000	0.000
313	A	313	ARG	1	0.874	0.924	35.894	0.034	0.034	0.000	0.000	0.000	0.000
314	A	314	GLU	-1	-0.800	-0.866	39.515	-0.016	-0.016	0.000	0.000	0.000	0.000
315	A	315	ALA	0	0.013	-0.003	36.674	0.002	0.002	0.000	0.000	0.000	0.000
316	A	316	LEU	0	-0.003	0.004	36.217	0.002	0.002	0.000	0.000	0.000	0.000
317	A	317	LEU	0	-0.001	-0.007	39.709	0.002	0.002	0.000	0.000	0.000	0.000
318	A	318	ALA	0	-0.007	-0.002	41.650	0.002	0.002	0.000	0.000	0.000	0.000
319	A	319	GLY	0	0.020	0.002	41.127	0.002	0.002	0.000	0.000	0.000	0.000
320	A	320	LEU	0	-0.053	-0.034	42.071	0.001	0.001	0.000	0.000	0.000	0.000
321	A	321	ALA	0	-0.053	-0.018	44.938	0.001	0.001	0.000	0.000	0.000	0.000
322	A	322	LEU	0	-0.060	0.007	42.507	0.001	0.001	0.000	0.000	0.000	0.000
323	A	323	THR	0	0.015	-0.021	46.388	0.000	0.000	0.000	0.000	0.000	0.000
324	A	324	GLU	-1	-0.777	-0.883	47.143	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	325	LYS	1	0.797	0.887	48.079	0.002	0.002	0.000	0.000	0.000	0.000
326	A	326	ASP	-1	-0.780	-0.871	45.965	-0.005	-0.005	0.000	0.000	0.000	0.000
327	A	327	TYR	0	-0.062	-0.044	39.790	0.001	0.001	0.000	0.000	0.000	0.000
328	A	328	ARG	1	0.824	0.866	44.359	0.003	0.003	0.000	0.000	0.000	0.000
329	A	329	ASP	-1	-0.795	-0.863	46.628	0.000	0.000	0.000	0.000	0.000	0.000
330	A	330	ALA	0	0.007	0.002	41.880	0.001	0.001	0.000	0.000	0.000	0.000
331	A	331	VAL	0	-0.020	-0.015	41.233	0.001	0.001	0.000	0.000	0.000	0.000
332	A	332	ALA	0	-0.022	-0.014	42.791	0.001	0.001	0.000	0.000	0.000	0.000
333	A	333	GLU	-1	-0.901	-0.959	43.492	0.005	0.005	0.000	0.000	0.000	0.000
334	A	334	ARG	1	0.805	0.898	35.596	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	335	GLU	-1	-0.840	-0.910	39.795	0.010	0.010	0.000	0.000	0.000	0.000
336	A	336	ALA	0	-0.027	0.000	41.929	0.001	0.001	0.000	0.000	0.000	0.000
337	A	337	LEU	0	0.014	0.006	39.107	0.001	0.001	0.000	0.000	0.000	0.000
338	A	338	ARG	1	0.794	0.861	35.276	-0.009	-0.009	0.000	0.000	0.000	0.000
339	A	339	LEU	0	-0.016	-0.013	38.234	0.002	0.002	0.000	0.000	0.000	0.000
340	A	340	GLU	-1	-0.823	-0.918	39.184	0.014	0.014	0.000	0.000	0.000	0.000
341	A	341	LEU	0	0.053	0.026	31.840	0.002	0.002	0.000	0.000	0.000	0.000
342	A	342	VAL	0	-0.030	-0.015	35.296	0.002	0.002	0.000	0.000	0.000	0.000
343	A	343	LYS	1	0.883	0.929	37.132	-0.015	-0.015	0.000	0.000	0.000	0.000
344	A	344	ALA	0	0.038	0.024	35.185	0.001	0.001	0.000	0.000	0.000	0.000
345	A	345	LEU	0	0.018	0.013	30.282	0.002	0.002	0.000	0.000	0.000	0.000
346	A	346	ARG	1	0.893	0.951	34.063	-0.021	-0.021	0.000	0.000	0.000	0.000
347	A	347	GLY	0	-0.007	-0.002	35.318	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	348	VAL	0	-0.047	-0.012	31.390	0.001	0.001	0.000	0.000	0.000	0.000
349	A	349	ASP	-1	-0.829	-0.892	27.356	0.048	0.048	0.000	0.000	0.000	0.000
350	A	350	ALA	0	0.001	-0.010	25.912	0.001	0.001	0.000	0.000	0.000	0.000
351	A	351	LEU	0	-0.052	-0.008	27.852	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	352	LEU	0	-0.003	0.000	23.661	0.004	0.004	0.000	0.000	0.000	0.000
353	A	353	LEU	0	0.011	0.004	25.784	-0.004	-0.004	0.000	0.000	0.000	0.000
354	A	354	PRO	0	0.024	0.022	24.569	0.005	0.005	0.000	0.000	0.000	0.000
355	A	355	VAL	0	-0.042	-0.010	20.725	-0.006	-0.006	0.000	0.000	0.000	0.000
356	A	356	GLN	0	-0.029	-0.023	21.239	0.000	0.000	0.000	0.000	0.000	0.000
357	A	357	PRO	0	0.035	0.031	25.657	0.006	0.006	0.000	0.000	0.000	0.000
358	A	358	LEU	0	0.015	0.001	26.897	0.002	0.002	0.000	0.000	0.000	0.000
359	A	359	PRO	0	0.043	0.027	23.059	0.003	0.003	0.000	0.000	0.000	0.000
360	A	360	ALA	0	0.013	0.015	21.291	-0.007	-0.007	0.000	0.000	0.000	0.000
361	A	361	PRO	0	0.007	0.024	23.304	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	362	PRO	0	0.036	-0.003	25.741	-0.006	-0.006	0.000	0.000	0.000	0.000
363	A	363	LEU	0	-0.034	-0.003	24.924	0.001	0.001	0.000	0.000	0.000	0.000
364	A	364	GLY	0	0.022	0.006	28.296	0.002	0.002	0.000	0.000	0.000	0.000
365	A	365	THR	0	-0.076	-0.047	29.879	0.004	0.004	0.000	0.000	0.000	0.000
366	A	366	GLU	-1	-0.925	-0.969	32.094	-0.021	-0.021	0.000	0.000	0.000	0.000
367	A	367	GLU	-1	-0.893	-0.924	34.849	-0.007	-0.007	0.000	0.000	0.000	0.000
368	A	368	VAL	0	-0.046	-0.029	30.704	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	369	GLU	-1	-0.835	-0.909	34.089	0.000	0.000	0.000	0.000	0.000	0.000
370	A	370	LEU	0	-0.042	-0.025	32.777	0.002	0.002	0.000	0.000	0.000	0.000
371	A	371	GLU	-1	-0.857	-0.921	35.190	0.020	0.020	0.000	0.000	0.000	0.000
372	A	372	SER	0	-0.033	-0.028	36.944	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	373	GLY	0	0.000	0.016	38.802	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	374	ARG	1	0.802	0.868	37.894	0.007	0.007	0.000	0.000	0.000	0.000
375	A	375	LYS	1	0.885	0.922	36.127	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	376	GLY	0	0.054	0.037	36.270	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	HIS	0	-0.026	-0.027	27.960	0.002	0.002	0.000	0.000	0.000	0.000
378	A	378	ARG	1	0.915	0.935	31.876	0.013	0.013	0.000	0.000	0.000	0.000
379	A	379	GLU	-1	-0.796	-0.863	32.480	0.004	0.004	0.000	0.000	0.000	0.000
380	A	380	ALA	0	0.034	0.041	32.198	0.003	0.003	0.000	0.000	0.000	0.000
381	A	381	PHE	0	-0.005	-0.023	25.884	0.003	0.003	0.000	0.000	0.000	0.000
382	A	382	ILE	0	-0.049	-0.014	28.479	0.001	0.001	0.000	0.000	0.000	0.000
383	A	383	THR	0	-0.009	-0.033	30.448	0.001	0.001	0.000	0.000	0.000	0.000
384	A	384	LEU	0	0.040	0.035	28.204	0.001	0.001	0.000	0.000	0.000	0.000
385	A	385	THR	0	-0.006	-0.012	25.375	0.003	0.003	0.000	0.000	0.000	0.000
386	A	386	LEU	0	-0.009	0.003	28.222	0.000	0.000	0.000	0.000	0.000	0.000
387	A	387	PRO	0	0.041	0.032	30.820	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	388	PHE	0	0.057	0.015	27.585	0.000	0.000	0.000	0.000	0.000	0.000
389	A	389	SER	0	-0.069	-0.030	27.837	0.001	0.001	0.000	0.000	0.000	0.000
390	A	390	LEU	0	-0.005	0.000	29.572	-0.001	-0.001	0.000	0.000	0.000	0.000
391	A	391	LEU	0	0.003	0.007	33.030	-0.001	-0.001	0.000	0.000	0.000	0.000
392	A	392	GLY	0	0.015	0.016	30.346	0.001	0.001	0.000	0.000	0.000	0.000
393	A	393	VAL	0	0.010	0.014	28.660	0.000	0.000	0.000	0.000	0.000	0.000
394	A	394	PRO	0	-0.017	0.032	24.363	-0.002	-0.002	0.000	0.000	0.000	0.000
395	A	395	THR	0	-0.046	-0.047	23.199	0.001	0.001	0.000	0.000	0.000	0.000
396	A	396	LEU	0	-0.020	0.013	15.978	-0.006	-0.006	0.000	0.000	0.000	0.000
397	A	397	ALA	0	0.012	0.000	18.494	-0.002	-0.002	0.000	0.000	0.000	0.000
398	A	398	LEU	0	0.018	0.013	15.126	0.000	0.000	0.000	0.000	0.000	0.000
399	A	399	PRO	0	-0.005	-0.004	12.860	-0.025	-0.025	0.000	0.000	0.000	0.000
400	A	400	PHE	0	-0.007	-0.004	16.172	0.005	0.005	0.000	0.000	0.000	0.000
401	A	401	ALA	0	-0.003	0.018	18.756	-0.003	-0.003	0.000	0.000	0.000	0.000
402	A	402	LYS	1	0.855	0.913	15.743	-0.130	-0.130	0.000	0.000	0.000	0.000
403	A	403	VAL	0	0.033	0.016	20.799	-0.008	-0.008	0.000	0.000	0.000	0.000
404	A	404	GLU	-1	-0.814	-0.900	23.162	0.008	0.008	0.000	0.000	0.000	0.000
405	A	405	GLY	0	0.012	0.020	20.870	-0.006	-0.006	0.000	0.000	0.000	0.000
406	A	406	MET	0	-0.008	0.011	19.046	0.018	0.018	0.000	0.000	0.000	0.000
407	A	407	PRO	0	-0.038	-0.031	15.886	0.016	0.016	0.000	0.000	0.000	0.000
408	A	408	VAL	0	0.019	0.017	18.225	-0.023	-0.023	0.000	0.000	0.000	0.000
409	A	409	GLY	0	0.031	0.013	19.107	0.021	0.021	0.000	0.000	0.000	0.000
410	A	410	LEU	0	-0.041	-0.015	19.750	-0.015	-0.015	0.000	0.000	0.000	0.000
411	A	411	GLN	0	-0.017	-0.039	20.323	0.000	0.000	0.000	0.000	0.000	0.000
412	A	412	VAL	0	0.032	0.013	20.521	0.002	0.002	0.000	0.000	0.000	0.000
413	A	413	VAL	0	-0.006	0.005	23.190	-0.003	-0.003	0.000	0.000	0.000	0.000
414	A	414	GLY	0	0.073	0.030	26.134	0.002	0.002	0.000	0.000	0.000	0.000
415	A	415	ALA	0	0.033	0.012	27.796	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	416	TYR	0	-0.021	-0.040	29.312	0.001	0.001	0.000	0.000	0.000	0.000
417	A	417	GLY	0	0.009	0.016	29.054	0.000	0.000	0.000	0.000	0.000	0.000
418	A	418	GLU	-1	-0.911	-0.957	27.256	0.043	0.043	0.000	0.000	0.000	0.000
419	A	419	ASP	-1	-0.759	-0.859	22.662	0.032	0.032	0.000	0.000	0.000	0.000
420	A	420	GLY	0	0.064	0.032	21.384	0.003	0.003	0.000	0.000	0.000	0.000
421	A	421	LYS	1	0.891	0.951	21.565	-0.043	-0.043	0.000	0.000	0.000	0.000
422	A	422	VAL	0	-0.030	-0.014	21.215	0.004	0.004	0.000	0.000	0.000	0.000
423	A	423	LEU	0	-0.019	-0.007	16.569	0.006	0.006	0.000	0.000	0.000	0.000
424	A	424	ALA	0	0.030	0.023	17.755	0.009	0.009	0.000	0.000	0.000	0.000
425	A	425	LEU	0	-0.025	-0.015	19.289	0.007	0.007	0.000	0.000	0.000	0.000
426	A	426	GLY	0	0.023	0.003	17.725	0.006	0.006	0.000	0.000	0.000	0.000
427	A	427	GLY	0	0.023	0.011	14.828	0.016	0.016	0.000	0.000	0.000	0.000
428	A	428	TRP	0	-0.032	-0.025	15.820	0.015	0.015	0.000	0.000	0.000	0.000
429	A	429	LEU	0	0.021	0.007	18.571	0.003	0.003	0.000	0.000	0.000	0.000
430	A	430	GLU	-1	-0.813	-0.905	10.771	0.225	0.225	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.065	-0.034	14.258	0.028	0.028	0.000	0.000	0.000	0.000
432	A	432	ARG	1	0.813	0.911	15.314	-0.111	-0.111	0.000	0.000	0.000	0.000
433	A	433	LEU	0	-0.004	0.013	16.393	-0.017	-0.017	0.000	0.000	0.000	0.000
434	A	434	GLY	0	-0.025	-0.006	13.788	0.010	0.010	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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