FMO DATABASE

FMODB ID: 2L2LR

Calculation Name: 2ZVI-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2ZVI

Chain ID: A

ChEMBL ID:

UniProt ID: O31666

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	400
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6556964.966681
FMO2-HF: Nuclear repulsion	6405678.768017
FMO2-HF: Total energy	-151286.198664
FMO2-MP2: Total energy	-151733.039319

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:11:SER)

Summations of interaction energy for fragment #1(A:11: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.
-12.051	-5.468	4.194	-4.532	-6.244	-0.032

Interaction energy analysis for fragmet #1(A:11:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.036 / q_NPA : -0.027

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	13	LEU	0	0.010	0.031	3.861	-0.243	1.290	-0.019	-0.760	-0.755	0.000
4	A	14	LEU	0	-0.003	-0.010	6.808	0.359	0.359	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.019	0.008	9.689	-0.059	-0.059	0.000	0.000	0.000	0.000
6	A	16	THR	0	-0.007	-0.015	13.128	0.085	0.085	0.000	0.000	0.000	0.000
7	A	17	TYR	0	-0.040	-0.038	15.626	-0.048	-0.048	0.000	0.000	0.000	0.000
8	A	18	LEU	0	0.022	0.014	19.831	0.042	0.042	0.000	0.000	0.000	0.000
9	A	19	LEU	0	-0.010	0.001	22.509	-0.021	-0.021	0.000	0.000	0.000	0.000
10	A	20	THR	0	0.010	-0.011	25.702	0.020	0.020	0.000	0.000	0.000	0.000
11	A	21	GLU	-1	-0.760	-0.883	29.382	-0.087	-0.087	0.000	0.000	0.000	0.000
12	A	22	PRO	0	-0.045	-0.001	28.268	0.007	0.007	0.000	0.000	0.000	0.000
13	A	23	GLY	0	-0.007	-0.005	31.152	-0.002	-0.002	0.000	0.000	0.000	0.000
14	A	24	ALA	0	-0.030	-0.011	30.952	0.008	0.008	0.000	0.000	0.000	0.000
15	A	25	ASP	-1	-0.849	-0.923	28.919	-0.073	-0.073	0.000	0.000	0.000	0.000
16	A	26	THR	0	0.002	-0.011	25.356	-0.007	-0.007	0.000	0.000	0.000	0.000
17	A	27	GLU	-1	-0.815	-0.924	22.085	0.013	0.013	0.000	0.000	0.000	0.000
18	A	28	LYS	1	0.802	0.902	22.775	0.087	0.087	0.000	0.000	0.000	0.000
19	A	29	LYS	1	0.818	0.875	23.750	0.173	0.173	0.000	0.000	0.000	0.000
20	A	30	ALA	0	0.048	0.040	19.595	-0.036	-0.036	0.000	0.000	0.000	0.000
21	A	31	GLU	-1	-0.722	-0.871	16.825	-0.100	-0.100	0.000	0.000	0.000	0.000
22	A	32	GLN	0	-0.033	0.005	19.115	-0.022	-0.022	0.000	0.000	0.000	0.000
23	A	33	ILE	0	-0.016	0.000	16.883	-0.032	-0.032	0.000	0.000	0.000	0.000
24	A	34	ALA	0	0.011	0.008	14.899	-0.074	-0.074	0.000	0.000	0.000	0.000
25	A	35	THR	0	-0.038	-0.029	14.882	-0.029	-0.029	0.000	0.000	0.000	0.000
26	A	36	GLY	0	0.051	0.021	17.315	-0.059	-0.059	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.081	-0.036	17.111	0.006	0.006	0.000	0.000	0.000	0.000
28	A	38	THR	0	-0.006	-0.008	12.342	-0.175	-0.175	0.000	0.000	0.000	0.000
29	A	39	VAL	0	-0.085	-0.018	13.911	-0.063	-0.063	0.000	0.000	0.000	0.000
30	A	40	GLY	0	-0.015	-0.002	16.495	0.029	0.029	0.000	0.000	0.000	0.000
31	A	41	SER	0	-0.063	-0.071	20.137	0.017	0.017	0.000	0.000	0.000	0.000
32	A	42	TRP	0	0.040	0.006	15.166	-0.007	-0.007	0.000	0.000	0.000	0.000
33	A	43	THR	0	-0.011	-0.018	20.686	0.013	0.013	0.000	0.000	0.000	0.000
34	A	44	ASP	-1	-0.863	-0.892	24.019	-0.115	-0.115	0.000	0.000	0.000	0.000
35	A	45	LEU	0	-0.032	0.001	18.746	-0.007	-0.007	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.025	0.005	22.940	0.026	0.026	0.000	0.000	0.000	0.000
37	A	47	LEU	0	0.061	0.028	22.661	-0.014	-0.014	0.000	0.000	0.000	0.000
38	A	48	VAL	0	0.021	0.013	21.160	0.001	0.001	0.000	0.000	0.000	0.000
39	A	49	LYS	1	0.872	0.922	19.062	0.264	0.264	0.000	0.000	0.000	0.000
40	A	50	GLN	0	0.014	0.005	18.267	-0.016	-0.016	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.818	-0.908	16.764	0.073	0.073	0.000	0.000	0.000	0.000
42	A	52	GLN	0	-0.054	-0.019	15.252	-0.026	-0.026	0.000	0.000	0.000	0.000
43	A	53	MET	0	-0.024	-0.013	13.677	-0.064	-0.064	0.000	0.000	0.000	0.000
44	A	54	GLN	0	0.013	0.004	12.781	-0.096	-0.096	0.000	0.000	0.000	0.000
45	A	55	LYS	1	0.807	0.894	8.232	0.535	0.535	0.000	0.000	0.000	0.000
46	A	56	HIS	0	0.003	0.006	7.965	-0.035	-0.035	0.000	0.000	0.000	0.000
47	A	57	LYS	1	0.815	0.908	10.354	-0.018	-0.018	0.000	0.000	0.000	0.000
48	A	58	GLY	0	0.062	0.043	10.419	-0.040	-0.040	0.000	0.000	0.000	0.000
49	A	59	ARG	1	0.751	0.830	8.190	-0.748	-0.748	0.000	0.000	0.000	0.000
50	A	60	VAL	0	0.038	0.018	12.940	-0.052	-0.052	0.000	0.000	0.000	0.000
51	A	61	ILE	0	-0.074	-0.021	10.433	0.106	0.106	0.000	0.000	0.000	0.000
52	A	62	LYS	1	0.833	0.881	14.403	-0.081	-0.081	0.000	0.000	0.000	0.000
53	A	63	VAL	0	0.022	0.025	17.874	-0.059	-0.059	0.000	0.000	0.000	0.000
54	A	64	GLU	-1	-0.853	-0.912	21.165	0.104	0.104	0.000	0.000	0.000	0.000
55	A	65	GLU	-1	-0.798	-0.857	23.859	-0.048	-0.048	0.000	0.000	0.000	0.000
56	A	66	ARG	1	0.902	0.935	24.800	0.010	0.010	0.000	0.000	0.000	0.000
57	A	67	GLU	-1	-0.868	-0.951	23.073	-0.122	-0.122	0.000	0.000	0.000	0.000
58	A	68	GLY	0	0.056	0.045	26.196	0.011	0.011	0.000	0.000	0.000	0.000
59	A	69	THR	0	-0.038	-0.012	28.981	0.000	0.000	0.000	0.000	0.000	0.000
60	A	70	ALA	0	-0.069	-0.038	30.967	0.008	0.008	0.000	0.000	0.000	0.000
61	A	71	ALA	0	-0.028	0.001	33.165	0.002	0.002	0.000	0.000	0.000	0.000
62	A	72	SER	0	-0.026	-0.012	35.038	0.008	0.008	0.000	0.000	0.000	0.000
63	A	73	GLU	-1	-0.899	-0.958	33.052	-0.067	-0.067	0.000	0.000	0.000	0.000
64	A	74	LYS	1	0.812	0.891	30.138	0.037	0.037	0.000	0.000	0.000	0.000
65	A	75	GLN	0	-0.010	-0.009	28.012	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	76	ALA	0	-0.031	-0.024	25.134	0.016	0.016	0.000	0.000	0.000	0.000
67	A	77	VAL	0	0.005	0.014	20.017	-0.026	-0.026	0.000	0.000	0.000	0.000
68	A	78	ILE	0	-0.014	-0.013	18.000	0.029	0.029	0.000	0.000	0.000	0.000
69	A	79	THR	0	0.037	0.022	13.398	-0.062	-0.062	0.000	0.000	0.000	0.000
70	A	80	ILE	0	-0.009	0.001	12.850	0.101	0.101	0.000	0.000	0.000	0.000
71	A	81	ALA	0	0.001	0.020	7.995	-0.095	-0.095	0.000	0.000	0.000	0.000
72	A	82	TYR	0	0.005	-0.019	8.530	0.241	0.241	0.000	0.000	0.000	0.000
73	A	83	PRO	0	0.023	0.008	5.233	-0.890	-0.890	0.000	0.000	0.000	0.000
74	A	84	GLU	-1	-0.716	-0.850	2.372	-11.651	-9.257	2.570	-2.090	-2.874	-0.027
75	A	85	ILE	0	-0.087	-0.034	3.890	0.775	1.019	0.000	-0.026	-0.219	0.000
76	A	86	ASN	0	-0.036	-0.022	5.853	0.644	0.644	0.000	0.000	0.000	0.000
77	A	87	PHE	0	-0.016	-0.005	6.894	0.341	0.341	0.000	0.000	0.000	0.000
78	A	88	SER	0	-0.039	-0.035	8.483	-0.368	-0.368	0.000	0.000	0.000	0.000
79	A	89	GLN	0	-0.028	-0.018	5.327	-1.159	-1.159	0.000	0.000	0.000	0.000
80	A	90	ASP	-1	-0.752	-0.849	9.357	-0.923	-0.923	0.000	0.000	0.000	0.000
81	A	91	ILE	0	0.058	0.014	12.473	-0.080	-0.080	0.000	0.000	0.000	0.000
82	A	92	PRO	0	0.009	0.001	14.438	0.021	0.021	0.000	0.000	0.000	0.000
83	A	93	ALA	0	0.016	0.030	12.842	0.057	0.057	0.000	0.000	0.000	0.000
84	A	94	LEU	0	0.009	0.026	9.704	0.014	0.014	0.000	0.000	0.000	0.000
85	A	95	LEU	0	-0.001	-0.007	12.179	0.084	0.084	0.000	0.000	0.000	0.000
86	A	96	THR	0	-0.055	-0.055	15.618	0.111	0.111	0.000	0.000	0.000	0.000
87	A	97	THR	0	-0.061	-0.031	11.892	0.073	0.073	0.000	0.000	0.000	0.000
88	A	98	VAL	0	-0.006	0.002	11.359	0.101	0.101	0.000	0.000	0.000	0.000
89	A	99	PHE	0	0.003	-0.001	14.522	0.119	0.119	0.000	0.000	0.000	0.000
90	A	100	GLY	0	0.055	0.045	17.966	0.064	0.064	0.000	0.000	0.000	0.000
91	A	101	LYS	1	0.940	0.971	20.007	0.384	0.384	0.000	0.000	0.000	0.000
92	A	102	LEU	0	0.022	0.009	18.771	0.041	0.041	0.000	0.000	0.000	0.000
93	A	103	SER	0	-0.049	-0.011	21.738	0.049	0.049	0.000	0.000	0.000	0.000
94	A	104	LEU	0	-0.012	-0.010	23.636	0.028	0.028	0.000	0.000	0.000	0.000
95	A	105	ASP	-1	-0.880	-0.903	24.448	-0.200	-0.200	0.000	0.000	0.000	0.000
96	A	106	GLY	0	0.003	-0.007	26.568	0.013	0.013	0.000	0.000	0.000	0.000
97	A	107	LYS	1	0.768	0.867	28.011	0.096	0.096	0.000	0.000	0.000	0.000
98	A	108	ILE	0	0.012	0.009	22.252	0.013	0.013	0.000	0.000	0.000	0.000
99	A	109	LYS	1	0.839	0.929	23.693	0.173	0.173	0.000	0.000	0.000	0.000
100	A	110	LEU	0	0.007	0.014	15.930	0.009	0.009	0.000	0.000	0.000	0.000
101	A	111	ILE	0	-0.026	-0.029	19.225	0.005	0.005	0.000	0.000	0.000	0.000
102	A	112	ASP	-1	-0.760	-0.866	16.338	-0.255	-0.255	0.000	0.000	0.000	0.000
103	A	113	LEU	0	-0.031	-0.014	11.939	-0.054	-0.054	0.000	0.000	0.000	0.000
104	A	114	HIS	0	-0.027	-0.019	9.965	0.126	0.126	0.000	0.000	0.000	0.000
105	A	115	PHE	0	0.038	0.014	7.125	-0.145	-0.145	0.000	0.000	0.000	0.000
106	A	116	SER	0	-0.027	-0.046	2.344	1.141	2.613	0.834	-0.982	-1.323	-0.006
107	A	117	GLU	-1	-0.776	-0.899	4.961	-0.158	-0.121	-0.001	-0.004	-0.031	0.000
108	A	118	ALA	0	-0.121	-0.043	2.369	-0.980	-0.173	0.811	-0.639	-0.978	0.001
109	A	119	PHE	0	0.053	0.025	4.322	0.543	0.639	-0.001	-0.031	-0.064	0.000
110	A	120	LYS	1	0.824	0.888	6.249	0.556	0.556	0.000	0.000	0.000	0.000
111	A	121	ARG	1	0.859	0.919	5.443	0.382	0.382	0.000	0.000	0.000	0.000
112	A	122	ALA	0	-0.061	-0.019	9.448	0.072	0.072	0.000	0.000	0.000	0.000
113	A	123	LEU	0	-0.018	0.001	10.499	0.018	0.018	0.000	0.000	0.000	0.000
114	A	124	PRO	0	-0.045	-0.001	13.213	0.053	0.053	0.000	0.000	0.000	0.000
115	A	125	GLY	0	0.035	0.018	16.532	0.061	0.061	0.000	0.000	0.000	0.000
116	A	126	PRO	0	-0.065	-0.027	17.851	0.002	0.002	0.000	0.000	0.000	0.000
117	A	127	LYS	1	0.846	0.931	21.719	0.270	0.270	0.000	0.000	0.000	0.000
118	A	128	PHE	0	-0.110	-0.052	23.861	0.024	0.024	0.000	0.000	0.000	0.000
119	A	129	GLY	0	0.025	0.001	24.891	0.016	0.016	0.000	0.000	0.000	0.000
120	A	130	VAL	0	-0.023	-0.013	25.694	0.009	0.009	0.000	0.000	0.000	0.000
121	A	131	TYR	0	0.060	0.033	26.930	0.006	0.006	0.000	0.000	0.000	0.000
122	A	132	GLY	0	0.018	0.003	27.976	0.007	0.007	0.000	0.000	0.000	0.000
123	A	133	ILE	0	-0.021	-0.017	29.467	0.004	0.004	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.783	0.863	31.609	0.047	0.047	0.000	0.000	0.000	0.000
125	A	135	LYS	1	0.899	0.942	30.885	0.058	0.058	0.000	0.000	0.000	0.000
126	A	136	LEU	0	-0.070	-0.024	33.312	0.004	0.004	0.000	0.000	0.000	0.000
127	A	137	LEU	0	-0.038	-0.030	35.433	-0.001	-0.001	0.000	0.000	0.000	0.000
128	A	138	GLY	0	-0.017	0.010	37.296	0.004	0.004	0.000	0.000	0.000	0.000
129	A	139	GLU	-1	-0.820	-0.897	37.242	-0.027	-0.027	0.000	0.000	0.000	0.000
130	A	140	PHE	0	-0.022	-0.029	32.115	-0.006	-0.006	0.000	0.000	0.000	0.000
131	A	141	GLU	-1	-0.927	-0.944	35.808	0.001	0.001	0.000	0.000	0.000	0.000
132	A	142	ARG	1	0.787	0.866	37.961	0.045	0.045	0.000	0.000	0.000	0.000
133	A	143	PRO	0	-0.021	0.005	35.776	-0.005	-0.005	0.000	0.000	0.000	0.000
134	A	144	LEU	0	-0.013	0.000	33.886	0.000	0.000	0.000	0.000	0.000	0.000
135	A	145	LEU	0	-0.028	-0.014	37.242	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	146	MET	0	-0.022	-0.006	33.319	-0.004	-0.004	0.000	0.000	0.000	0.000
137	A	147	SER	0	-0.019	-0.041	38.643	0.004	0.004	0.000	0.000	0.000	0.000
138	A	148	ILE	0	-0.037	-0.015	37.777	-0.006	-0.006	0.000	0.000	0.000	0.000
139	A	149	PHE	0	0.019	0.009	41.353	0.006	0.006	0.000	0.000	0.000	0.000
140	A	150	LYS	1	0.836	0.920	44.218	0.064	0.064	0.000	0.000	0.000	0.000
141	A	151	GLY	0	0.033	0.023	45.027	0.000	0.000	0.000	0.000	0.000	0.000
142	A	152	VAL	0	-0.042	-0.027	43.315	0.004	0.004	0.000	0.000	0.000	0.000
143	A	153	ILE	0	-0.014	-0.010	43.755	0.002	0.002	0.000	0.000	0.000	0.000
144	A	154	GLY	0	-0.002	0.002	47.399	0.004	0.004	0.000	0.000	0.000	0.000
145	A	155	ARG	1	0.814	0.913	49.202	0.078	0.078	0.000	0.000	0.000	0.000
146	A	156	ASP	-1	-0.808	-0.901	50.041	-0.072	-0.072	0.000	0.000	0.000	0.000
147	A	157	LEU	0	0.054	-0.003	47.648	0.000	0.000	0.000	0.000	0.000	0.000
148	A	158	SER	0	-0.010	0.009	50.769	0.001	0.001	0.000	0.000	0.000	0.000
149	A	159	ASP	-1	-0.808	-0.878	51.726	-0.067	-0.067	0.000	0.000	0.000	0.000
150	A	160	ILE	0	0.007	0.003	45.943	0.000	0.000	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.867	0.914	48.098	0.067	0.067	0.000	0.000	0.000	0.000
152	A	162	GLU	-1	-0.791	-0.871	49.737	-0.053	-0.053	0.000	0.000	0.000	0.000
153	A	163	GLN	0	-0.040	-0.039	47.586	0.000	0.000	0.000	0.000	0.000	0.000
154	A	164	LEU	0	-0.047	0.001	43.853	0.000	0.000	0.000	0.000	0.000	0.000
155	A	165	ARG	1	0.844	0.893	47.034	0.057	0.057	0.000	0.000	0.000	0.000
156	A	166	GLN	0	-0.024	-0.025	49.572	0.003	0.003	0.000	0.000	0.000	0.000
157	A	167	GLN	0	0.024	0.007	44.134	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	168	ALA	0	0.039	0.032	45.604	0.002	0.002	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.023	-0.005	46.546	0.003	0.003	0.000	0.000	0.000	0.000
160	A	170	GLY	0	-0.043	-0.015	48.366	0.003	0.003	0.000	0.000	0.000	0.000
161	A	171	GLY	0	-0.022	-0.006	46.436	0.002	0.002	0.000	0.000	0.000	0.000
162	A	172	VAL	0	-0.005	-0.001	42.036	0.001	0.001	0.000	0.000	0.000	0.000
163	A	173	ASP	-1	-0.742	-0.823	38.403	-0.055	-0.055	0.000	0.000	0.000	0.000
164	A	174	LEU	0	-0.012	-0.005	34.354	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	175	ILE	0	-0.011	0.005	38.705	0.003	0.003	0.000	0.000	0.000	0.000
166	A	176	LYS	1	0.809	0.898	35.092	0.124	0.124	0.000	0.000	0.000	0.000
167	A	177	ASP	-1	-0.692	-0.825	37.810	-0.114	-0.114	0.000	0.000	0.000	0.000
168	A	178	ASP	-1	-0.842	-0.929	38.291	-0.113	-0.113	0.000	0.000	0.000	0.000
169	A	179	GLU	-1	-0.758	-0.869	35.179	-0.133	-0.133	0.000	0.000	0.000	0.000
170	A	180	ILE	0	-0.022	-0.006	36.888	-0.009	-0.009	0.000	0.000	0.000	0.000
171	A	181	PHE	0	-0.019	-0.002	39.515	0.006	0.006	0.000	0.000	0.000	0.000
172	A	182	PHE	0	0.009	-0.002	36.307	-0.006	-0.006	0.000	0.000	0.000	0.000
173	A	183	GLU	-1	-0.748	-0.865	39.362	-0.127	-0.127	0.000	0.000	0.000	0.000
174	A	184	THR	0	-0.038	-0.031	42.399	0.002	0.002	0.000	0.000	0.000	0.000
175	A	185	GLY	0	0.008	0.005	45.727	0.004	0.004	0.000	0.000	0.000	0.000
176	A	186	LEU	0	-0.035	-0.015	47.824	0.003	0.003	0.000	0.000	0.000	0.000
177	A	187	ALA	0	0.027	0.001	46.288	0.004	0.004	0.000	0.000	0.000	0.000
178	A	188	PRO	0	-0.004	0.015	44.111	-0.005	-0.005	0.000	0.000	0.000	0.000
179	A	189	PHE	0	0.065	0.020	35.148	0.004	0.004	0.000	0.000	0.000	0.000
180	A	190	GLU	-1	-0.794	-0.875	40.663	-0.117	-0.117	0.000	0.000	0.000	0.000
181	A	191	THR	0	-0.011	-0.003	42.279	0.003	0.003	0.000	0.000	0.000	0.000
182	A	192	ARG	1	0.779	0.876	39.284	0.126	0.126	0.000	0.000	0.000	0.000
183	A	193	ILE	0	0.033	0.023	37.857	0.004	0.004	0.000	0.000	0.000	0.000
184	A	194	ALA	0	-0.017	-0.002	41.699	0.004	0.004	0.000	0.000	0.000	0.000
185	A	195	GLU	-1	-0.803	-0.895	44.948	-0.067	-0.067	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.014	0.000	43.812	0.004	0.004	0.000	0.000	0.000	0.000
187	A	197	LYS	1	0.844	0.927	39.164	0.098	0.098	0.000	0.000	0.000	0.000
188	A	198	GLN	0	-0.091	-0.055	44.104	0.003	0.003	0.000	0.000	0.000	0.000
189	A	199	ILE	0	0.002	-0.001	47.309	0.004	0.004	0.000	0.000	0.000	0.000
190	A	200	LEU	0	0.010	-0.004	42.017	0.003	0.003	0.000	0.000	0.000	0.000
191	A	201	LYS	1	0.906	0.971	45.740	0.067	0.067	0.000	0.000	0.000	0.000
192	A	202	GLU	-1	-0.824	-0.883	47.636	-0.053	-0.053	0.000	0.000	0.000	0.000
193	A	203	THR	0	0.038	-0.002	47.367	0.002	0.002	0.000	0.000	0.000	0.000
194	A	204	TYR	0	-0.047	0.020	45.435	0.002	0.002	0.000	0.000	0.000	0.000
195	A	205	GLU	-1	-0.911	-0.966	48.248	-0.039	-0.039	0.000	0.000	0.000	0.000
196	A	206	GLN	0	-0.087	-0.031	51.478	0.001	0.001	0.000	0.000	0.000	0.000
197	A	207	THR	0	-0.075	-0.073	49.355	0.002	0.002	0.000	0.000	0.000	0.000
198	A	208	GLY	0	0.003	0.013	48.846	0.002	0.002	0.000	0.000	0.000	0.000
199	A	209	HIS	0	-0.043	-0.025	42.765	0.004	0.004	0.000	0.000	0.000	0.000
200	A	210	LYS	1	0.862	0.934	38.811	0.074	0.074	0.000	0.000	0.000	0.000
201	A	211	THR	0	-0.032	-0.023	40.999	0.001	0.001	0.000	0.000	0.000	0.000
202	A	212	LEU	0	-0.019	-0.015	34.766	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	213	TYR	0	-0.053	-0.074	38.057	0.003	0.003	0.000	0.000	0.000	0.000
204	A	214	ALA	0	0.004	0.009	33.927	-0.004	-0.004	0.000	0.000	0.000	0.000
205	A	215	VAL	0	-0.002	-0.002	35.743	0.002	0.002	0.000	0.000	0.000	0.000
206	A	216	ASN	0	-0.067	-0.062	34.854	-0.018	-0.018	0.000	0.000	0.000	0.000
207	A	217	LEU	0	-0.031	0.001	29.514	0.005	0.005	0.000	0.000	0.000	0.000
208	A	218	THR	0	-0.002	0.002	32.315	-0.012	-0.012	0.000	0.000	0.000	0.000
209	A	219	GLY	0	0.041	0.012	34.496	0.006	0.006	0.000	0.000	0.000	0.000
210	A	220	ARG	1	0.916	0.960	33.524	0.196	0.196	0.000	0.000	0.000	0.000
211	A	221	THR	0	0.047	-0.001	26.825	0.010	0.010	0.000	0.000	0.000	0.000
212	A	222	ALA	0	-0.011	0.009	28.845	-0.012	-0.012	0.000	0.000	0.000	0.000
213	A	223	ASP	-1	-0.804	-0.911	30.525	-0.198	-0.198	0.000	0.000	0.000	0.000
214	A	224	LEU	0	-0.062	-0.011	28.285	0.008	0.008	0.000	0.000	0.000	0.000
215	A	225	LYS	1	0.876	0.930	24.580	0.324	0.324	0.000	0.000	0.000	0.000
216	A	226	ASP	-1	-0.806	-0.923	29.515	-0.201	-0.201	0.000	0.000	0.000	0.000
217	A	227	LYS	1	0.777	0.899	32.888	0.174	0.174	0.000	0.000	0.000	0.000
218	A	228	ALA	0	0.020	-0.004	30.117	0.012	0.012	0.000	0.000	0.000	0.000
219	A	229	ARG	1	0.825	0.897	27.542	0.238	0.238	0.000	0.000	0.000	0.000
220	A	230	ARG	1	0.760	0.854	32.739	0.130	0.130	0.000	0.000	0.000	0.000
221	A	231	ALA	0	-0.008	-0.027	34.279	0.010	0.010	0.000	0.000	0.000	0.000
222	A	232	ALA	0	-0.001	0.010	32.467	0.009	0.009	0.000	0.000	0.000	0.000
223	A	233	GLU	-1	-0.867	-0.910	34.591	-0.115	-0.115	0.000	0.000	0.000	0.000
224	A	234	LEU	0	-0.082	-0.033	37.474	0.010	0.010	0.000	0.000	0.000	0.000
225	A	235	GLY	0	0.013	0.007	37.077	0.007	0.007	0.000	0.000	0.000	0.000
226	A	236	ALA	0	-0.041	-0.030	35.510	0.006	0.006	0.000	0.000	0.000	0.000
227	A	237	ASP	-1	-0.837	-0.921	35.122	-0.096	-0.096	0.000	0.000	0.000	0.000
228	A	238	ALA	0	0.005	0.006	32.456	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	239	LEU	0	-0.014	-0.003	30.577	0.004	0.004	0.000	0.000	0.000	0.000
230	A	240	LEU	0	-0.015	0.003	30.615	-0.009	-0.009	0.000	0.000	0.000	0.000
231	A	241	PHE	0	0.023	0.002	25.265	0.000	0.000	0.000	0.000	0.000	0.000
232	A	242	ASN	0	0.013	0.007	28.819	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	243	VAL	0	0.069	0.030	23.124	-0.004	-0.004	0.000	0.000	0.000	0.000
234	A	244	PHE	0	-0.007	-0.011	22.510	-0.018	-0.018	0.000	0.000	0.000	0.000
235	A	245	ALA	0	-0.045	-0.009	26.677	0.005	0.005	0.000	0.000	0.000	0.000
236	A	246	TYR	0	-0.095	-0.058	26.931	0.011	0.011	0.000	0.000	0.000	0.000
237	A	247	GLY	0	0.020	0.002	23.028	-0.019	-0.019	0.000	0.000	0.000	0.000
238	A	248	LEU	0	-0.001	-0.006	18.424	0.015	0.015	0.000	0.000	0.000	0.000
239	A	249	ASP	-1	-0.827	-0.925	16.907	-0.712	-0.712	0.000	0.000	0.000	0.000
240	A	250	VAL	0	-0.028	-0.006	19.307	0.013	0.013	0.000	0.000	0.000	0.000
241	A	251	MET	0	-0.056	-0.007	21.428	0.039	0.039	0.000	0.000	0.000	0.000
242	A	252	GLN	0	0.048	0.020	14.016	0.035	0.035	0.000	0.000	0.000	0.000
243	A	253	GLY	0	0.050	0.027	19.675	0.015	0.015	0.000	0.000	0.000	0.000
244	A	254	LEU	0	-0.053	-0.029	21.536	0.036	0.036	0.000	0.000	0.000	0.000
245	A	255	ALA	0	0.002	0.001	20.565	0.029	0.029	0.000	0.000	0.000	0.000
246	A	256	GLU	-1	-0.841	-0.926	16.562	-0.609	-0.609	0.000	0.000	0.000	0.000
247	A	257	ASP	-1	-0.804	-0.868	20.773	-0.247	-0.247	0.000	0.000	0.000	0.000
248	A	258	PRO	0	0.005	0.013	23.426	0.016	0.016	0.000	0.000	0.000	0.000
249	A	259	GLU	-1	-0.919	-0.962	25.817	-0.167	-0.167	0.000	0.000	0.000	0.000
250	A	260	ILE	0	-0.054	-0.024	26.858	0.010	0.010	0.000	0.000	0.000	0.000
251	A	261	PRO	0	-0.008	0.006	27.786	-0.010	-0.010	0.000	0.000	0.000	0.000
252	A	262	VAL	0	-0.007	-0.010	29.132	0.016	0.016	0.000	0.000	0.000	0.000
253	A	263	PRO	0	-0.033	-0.006	28.196	-0.016	-0.016	0.000	0.000	0.000	0.000
254	A	264	ILE	0	0.008	0.007	24.279	0.005	0.005	0.000	0.000	0.000	0.000
255	A	265	MET	0	-0.036	-0.023	27.184	0.004	0.004	0.000	0.000	0.000	0.000
256	A	266	ALA	0	0.051	0.027	25.206	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	267	HIS	0	0.003	-0.015	27.293	0.007	0.007	0.000	0.000	0.000	0.000
258	A	268	PRO	0	0.017	0.010	28.319	-0.016	-0.016	0.000	0.000	0.000	0.000
259	A	269	ALA	0	0.034	0.032	29.353	0.002	0.002	0.000	0.000	0.000	0.000
260	A	270	VAL	0	-0.004	-0.006	30.003	-0.014	-0.014	0.000	0.000	0.000	0.000
261	A	271	SER	0	-0.003	-0.021	26.616	0.004	0.004	0.000	0.000	0.000	0.000
262	A	272	GLY	0	0.026	0.035	28.212	-0.003	-0.003	0.000	0.000	0.000	0.000
263	A	273	ALA	0	-0.018	-0.006	30.505	0.007	0.007	0.000	0.000	0.000	0.000
264	A	274	PHE	0	0.000	0.001	23.885	0.001	0.001	0.000	0.000	0.000	0.000
265	A	275	THR	0	0.015	-0.008	24.898	-0.011	-0.011	0.000	0.000	0.000	0.000
266	A	276	SER	0	-0.042	-0.043	27.327	0.013	0.013	0.000	0.000	0.000	0.000
267	A	277	SER	0	-0.008	0.020	29.488	0.018	0.018	0.000	0.000	0.000	0.000
268	A	278	PRO	0	0.032	0.016	29.091	-0.011	-0.011	0.000	0.000	0.000	0.000
269	A	279	PHE	0	-0.010	-0.020	28.996	0.000	0.000	0.000	0.000	0.000	0.000
270	A	280	TYR	0	0.010	0.008	26.820	0.003	0.003	0.000	0.000	0.000	0.000
271	A	281	GLY	0	-0.002	0.008	24.719	0.008	0.008	0.000	0.000	0.000	0.000
272	A	282	PHE	0	0.022	0.003	18.521	-0.015	-0.015	0.000	0.000	0.000	0.000
273	A	283	SER	0	-0.001	-0.024	21.003	0.028	0.028	0.000	0.000	0.000	0.000
274	A	284	HIS	0	0.047	0.010	22.633	-0.027	-0.027	0.000	0.000	0.000	0.000
275	A	285	ALA	0	0.055	0.026	22.185	-0.010	-0.010	0.000	0.000	0.000	0.000
276	A	286	LEU	0	0.028	0.035	16.683	-0.014	-0.014	0.000	0.000	0.000	0.000
277	A	287	LEU	0	-0.037	-0.013	19.175	-0.032	-0.032	0.000	0.000	0.000	0.000
278	A	288	LEU	0	-0.013	-0.025	21.274	-0.008	-0.008	0.000	0.000	0.000	0.000
279	A	289	GLY	0	0.034	0.041	21.832	0.020	0.020	0.000	0.000	0.000	0.000
280	A	290	LYS	1	0.813	0.915	13.843	0.298	0.298	0.000	0.000	0.000	0.000
281	A	291	LEU	0	0.015	0.000	14.753	-0.034	-0.034	0.000	0.000	0.000	0.000
282	A	292	ASN	0	0.005	-0.020	17.501	-0.037	-0.037	0.000	0.000	0.000	0.000
283	A	293	ARG	1	0.780	0.877	18.360	0.146	0.146	0.000	0.000	0.000	0.000
284	A	294	TYR	0	-0.039	-0.049	11.944	-0.027	-0.027	0.000	0.000	0.000	0.000
285	A	295	CYS	0	-0.036	-0.015	16.161	-0.045	-0.045	0.000	0.000	0.000	0.000
286	A	296	GLY	0	0.051	0.013	18.000	0.018	0.018	0.000	0.000	0.000	0.000
287	A	297	ALA	0	-0.051	-0.026	20.852	0.034	0.034	0.000	0.000	0.000	0.000
288	A	298	ASP	-1	-0.705	-0.822	23.545	-0.185	-0.185	0.000	0.000	0.000	0.000
289	A	299	PHE	0	-0.011	-0.017	25.771	0.023	0.023	0.000	0.000	0.000	0.000
290	A	300	SER	0	-0.008	-0.018	24.834	-0.022	-0.022	0.000	0.000	0.000	0.000
291	A	301	LEU	0	-0.021	-0.005	26.990	0.017	0.017	0.000	0.000	0.000	0.000
292	A	302	PHE	0	0.039	0.011	28.506	-0.012	-0.012	0.000	0.000	0.000	0.000
293	A	303	PRO	0	-0.021	-0.013	30.737	0.011	0.011	0.000	0.000	0.000	0.000
294	A	304	SER	0	0.030	0.022	33.112	0.003	0.003	0.000	0.000	0.000	0.000
295	A	305	PRO	0	-0.001	-0.017	33.775	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	306	TYR	0	-0.067	-0.058	36.072	0.007	0.007	0.000	0.000	0.000	0.000
297	A	307	GLY	0	0.041	0.038	38.622	0.003	0.003	0.000	0.000	0.000	0.000
298	A	308	SER	0	-0.059	-0.036	40.095	0.001	0.001	0.000	0.000	0.000	0.000
299	A	309	VAL	0	-0.005	-0.002	36.908	-0.001	-0.001	0.000	0.000	0.000	0.000
300	A	310	ALA	0	-0.016	-0.010	36.152	0.000	0.000	0.000	0.000	0.000	0.000
301	A	311	LEU	0	0.022	0.017	29.045	-0.008	-0.008	0.000	0.000	0.000	0.000
302	A	312	PRO	0	0.024	0.010	31.532	0.011	0.011	0.000	0.000	0.000	0.000
303	A	313	ARG	1	0.847	0.878	31.855	0.025	0.025	0.000	0.000	0.000	0.000
304	A	314	ALA	0	-0.001	0.015	28.811	0.001	0.001	0.000	0.000	0.000	0.000
305	A	315	ASP	-1	-0.834	-0.924	27.043	-0.118	-0.118	0.000	0.000	0.000	0.000
306	A	316	ALA	0	0.007	-0.003	27.070	-0.010	-0.010	0.000	0.000	0.000	0.000
307	A	317	LEU	0	-0.046	-0.019	28.486	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	318	ALA	0	0.048	0.032	23.595	0.002	0.002	0.000	0.000	0.000	0.000
309	A	319	ILE	0	-0.027	-0.013	23.455	-0.013	-0.013	0.000	0.000	0.000	0.000
310	A	320	HIS	0	-0.042	-0.013	24.223	-0.008	-0.008	0.000	0.000	0.000	0.000
311	A	321	GLU	-1	-0.829	-0.905	21.415	-0.005	-0.005	0.000	0.000	0.000	0.000
312	A	322	GLU	-1	-0.812	-0.887	17.958	-0.167	-0.167	0.000	0.000	0.000	0.000
313	A	323	CYS	0	-0.120	-0.045	20.115	-0.029	-0.029	0.000	0.000	0.000	0.000
314	A	324	VAL	0	-0.005	-0.018	22.588	-0.004	-0.004	0.000	0.000	0.000	0.000
315	A	325	ARG	1	0.772	0.859	16.920	0.083	0.083	0.000	0.000	0.000	0.000
316	A	326	GLU	-1	-0.927	-0.961	19.131	0.082	0.082	0.000	0.000	0.000	0.000
317	A	327	ASP	-1	-0.776	-0.871	13.434	-0.164	-0.164	0.000	0.000	0.000	0.000
318	A	328	ALA	0	-0.060	-0.021	12.614	0.018	0.018	0.000	0.000	0.000	0.000
319	A	329	PHE	0	-0.005	-0.004	11.587	-0.056	-0.056	0.000	0.000	0.000	0.000
320	A	330	ASN	0	-0.011	0.000	17.184	0.065	0.065	0.000	0.000	0.000	0.000
321	A	331	GLN	0	0.033	0.034	20.668	-0.036	-0.036	0.000	0.000	0.000	0.000
322	A	332	THR	0	-0.011	-0.012	22.523	-0.006	-0.006	0.000	0.000	0.000	0.000
323	A	333	PHE	0	0.001	-0.008	24.259	0.017	0.017	0.000	0.000	0.000	0.000
324	A	334	ALA	0	0.034	0.018	27.268	-0.014	-0.014	0.000	0.000	0.000	0.000
325	A	335	VAL	0	-0.004	-0.010	28.386	0.013	0.013	0.000	0.000	0.000	0.000
326	A	336	PRO	0	0.026	0.046	31.521	-0.007	-0.007	0.000	0.000	0.000	0.000
327	A	337	SER	0	-0.003	-0.017	33.437	0.004	0.004	0.000	0.000	0.000	0.000
328	A	338	ALA	0	-0.009	-0.002	35.847	0.004	0.004	0.000	0.000	0.000	0.000
329	A	339	GLY	0	0.032	0.016	38.311	0.004	0.004	0.000	0.000	0.000	0.000
330	A	340	ILE	0	0.012	0.025	37.100	0.006	0.006	0.000	0.000	0.000	0.000
331	A	341	HIS	1	0.829	0.905	41.656	0.058	0.058	0.000	0.000	0.000	0.000
332	A	342	PRO	0	0.102	0.041	44.262	0.001	0.001	0.000	0.000	0.000	0.000
333	A	343	GLY	0	0.058	0.024	45.275	0.002	0.002	0.000	0.000	0.000	0.000
334	A	344	MET	0	-0.089	-0.029	41.487	0.003	0.003	0.000	0.000	0.000	0.000
335	A	345	VAL	0	0.028	0.026	40.872	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	346	PRO	0	0.060	0.022	40.480	0.000	0.000	0.000	0.000	0.000	0.000
337	A	347	LEU	0	-0.064	-0.020	40.039	0.003	0.003	0.000	0.000	0.000	0.000
338	A	348	LEU	0	0.008	0.002	36.041	0.000	0.000	0.000	0.000	0.000	0.000
339	A	349	MET	0	0.005	0.014	35.790	-0.002	-0.002	0.000	0.000	0.000	0.000
340	A	350	ARG	1	0.806	0.901	36.477	0.026	0.026	0.000	0.000	0.000	0.000
341	A	351	ASP	-1	-0.782	-0.829	33.603	-0.027	-0.027	0.000	0.000	0.000	0.000
342	A	352	PHE	0	0.041	0.001	30.537	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	353	GLY	0	0.027	0.028	32.246	-0.002	-0.002	0.000	0.000	0.000	0.000
344	A	354	ILE	0	0.040	-0.005	33.590	-0.005	-0.005	0.000	0.000	0.000	0.000
345	A	355	ASP	-1	-0.824	-0.891	29.377	-0.043	-0.043	0.000	0.000	0.000	0.000
346	A	356	HIS	0	-0.070	-0.043	29.849	-0.011	-0.011	0.000	0.000	0.000	0.000
347	A	357	ILE	0	-0.023	-0.007	31.963	0.004	0.004	0.000	0.000	0.000	0.000
348	A	358	ILE	0	0.038	0.012	34.368	-0.006	-0.006	0.000	0.000	0.000	0.000
349	A	359	ASN	0	0.008	-0.019	35.399	0.006	0.006	0.000	0.000	0.000	0.000
350	A	360	ALA	0	-0.002	0.002	37.659	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	361	GLY	0	0.006	0.004	40.369	0.001	0.001	0.000	0.000	0.000	0.000
352	A	362	GLY	0	0.048	0.020	41.267	0.004	0.004	0.000	0.000	0.000	0.000
353	A	363	GLY	0	-0.042	-0.024	44.218	0.004	0.004	0.000	0.000	0.000	0.000
354	A	364	VAL	0	-0.007	0.011	44.268	0.005	0.005	0.000	0.000	0.000	0.000
355	A	365	HIS	0	-0.024	-0.030	45.440	0.007	0.007	0.000	0.000	0.000	0.000
356	A	366	GLY	0	-0.016	0.011	49.373	0.002	0.002	0.000	0.000	0.000	0.000
357	A	367	HIS	0	-0.045	-0.011	50.835	0.002	0.002	0.000	0.000	0.000	0.000
358	A	368	PRO	0	-0.034	-0.034	52.589	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	369	ASN	0	-0.051	-0.034	55.116	0.000	0.000	0.000	0.000	0.000	0.000
360	A	370	GLY	0	0.046	0.031	53.563	0.000	0.000	0.000	0.000	0.000	0.000
361	A	371	ALA	0	0.004	-0.013	48.427	0.001	0.001	0.000	0.000	0.000	0.000
362	A	372	GLN	0	0.057	0.035	49.121	0.002	0.002	0.000	0.000	0.000	0.000
363	A	373	GLY	0	0.023	0.013	50.795	0.001	0.001	0.000	0.000	0.000	0.000
364	A	374	GLY	0	-0.030	-0.022	48.944	0.001	0.001	0.000	0.000	0.000	0.000
365	A	375	GLY	0	-0.007	-0.002	46.089	0.000	0.000	0.000	0.000	0.000	0.000
366	A	376	ARG	1	0.898	0.920	46.819	0.039	0.039	0.000	0.000	0.000	0.000
367	A	377	ALA	0	-0.067	-0.025	49.250	0.003	0.003	0.000	0.000	0.000	0.000
368	A	378	PHE	0	0.005	-0.018	42.183	0.001	0.001	0.000	0.000	0.000	0.000
369	A	379	ARG	1	0.844	0.929	43.554	0.041	0.041	0.000	0.000	0.000	0.000
370	A	380	ALA	0	0.059	0.025	45.827	0.003	0.003	0.000	0.000	0.000	0.000
371	A	381	ILE	0	-0.027	-0.020	45.017	0.003	0.003	0.000	0.000	0.000	0.000
372	A	382	ILE	0	-0.029	-0.024	40.780	0.002	0.002	0.000	0.000	0.000	0.000
373	A	383	ASP	-1	-0.803	-0.902	43.196	-0.026	-0.026	0.000	0.000	0.000	0.000
374	A	384	ALA	0	0.022	0.014	45.346	0.003	0.003	0.000	0.000	0.000	0.000
375	A	385	VAL	0	-0.055	-0.042	41.782	0.003	0.003	0.000	0.000	0.000	0.000
376	A	386	LEU	0	-0.045	-0.011	39.630	0.003	0.003	0.000	0.000	0.000	0.000
377	A	387	GLU	-1	-0.851	-0.911	43.458	-0.010	-0.010	0.000	0.000	0.000	0.000
378	A	388	ALA	0	-0.050	-0.017	46.070	0.003	0.003	0.000	0.000	0.000	0.000
379	A	389	GLN	0	-0.032	-0.016	47.338	0.000	0.000	0.000	0.000	0.000	0.000
380	A	390	PRO	0	-0.006	-0.011	49.928	-0.002	-0.002	0.000	0.000	0.000	0.000
381	A	391	ILE	0	0.037	0.009	47.272	-0.002	-0.002	0.000	0.000	0.000	0.000
382	A	392	ASP	-1	-0.905	-0.957	51.336	-0.015	-0.015	0.000	0.000	0.000	0.000
383	A	393	GLU	-1	-0.837	-0.913	55.018	-0.007	-0.007	0.000	0.000	0.000	0.000
384	A	394	LYS	1	0.817	0.894	50.211	0.015	0.015	0.000	0.000	0.000	0.000
385	A	395	ALA	0	-0.041	-0.026	53.837	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	396	GLU	-1	-0.859	-0.908	55.038	-0.018	-0.018	0.000	0.000	0.000	0.000
387	A	397	GLN	0	-0.069	-0.024	55.790	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	398	CYS	0	-0.026	0.008	52.063	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	399	LYS	1	1.022	1.006	55.034	0.025	0.025	0.000	0.000	0.000	0.000
390	A	400	ASP	-1	-0.728	-0.854	52.843	-0.036	-0.036	0.000	0.000	0.000	0.000
391	A	401	LEU	0	0.040	0.025	49.337	-0.002	-0.002	0.000	0.000	0.000	0.000
392	A	402	LYS	1	0.826	0.911	52.337	0.018	0.018	0.000	0.000	0.000	0.000
393	A	403	LEU	0	-0.045	-0.027	55.258	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	404	ALA	0	-0.037	-0.008	50.014	-0.002	-0.002	0.000	0.000	0.000	0.000
395	A	405	LEU	0	-0.021	-0.016	49.719	-0.002	-0.002	0.000	0.000	0.000	0.000
396	A	406	ASP	-1	-0.885	-0.954	52.519	-0.026	-0.026	0.000	0.000	0.000	0.000
397	A	407	LYS	1	0.823	0.921	52.803	0.045	0.045	0.000	0.000	0.000	0.000
398	A	408	TRP	0	-0.009	-0.016	48.840	-0.003	-0.003	0.000	0.000	0.000	0.000
399	A	409	GLY	0	0.042	0.039	49.804	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	410	LYS	1	0.879	0.935	46.700	0.036	0.036	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:11:SER)