FMO DATABASE

FMODB ID: QN8LY

Calculation Name: 1L0Q-A-Xray372

Preferred Name:

Target Type:

Ligand Name: s-(2-amino-2-oxoethyl)-l-cysteine

ligand 3-letter code: YCM

PDB ID: 1L0Q

Chain ID: A

ChEMBL ID:

UniProt ID: Q50245

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	391
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5698827.239276
FMO2-HF: Nuclear repulsion	5557303.086914
FMO2-HF: Total energy	-141524.152361
FMO2-MP2: Total energy	-141941.134889

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:SER)

Summations of interaction energy for fragment #1(A:1: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.
-8.665	-2.462	5.297	-4.343	-7.158	-0.014

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

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 : 0.002

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	PHE	0	0.037	0.011	2.111	-0.410	1.242	1.481	-1.165	-1.968	0.000
4	A	4	ALA	0	-0.007	0.004	6.528	-0.013	-0.013	0.000	0.000	0.000	0.000
5	A	5	TYR	0	0.011	0.001	7.202	-0.118	-0.118	0.000	0.000	0.000	0.000
6	A	6	ILE	0	-0.012	-0.018	12.453	0.048	0.048	0.000	0.000	0.000	0.000
7	A	7	ALA	0	0.055	0.036	15.930	-0.011	-0.011	0.000	0.000	0.000	0.000
8	A	8	ASN	0	-0.022	-0.029	18.060	0.058	0.058	0.000	0.000	0.000	0.000
9	A	9	SER	0	-0.006	-0.024	21.361	-0.002	-0.002	0.000	0.000	0.000	0.000
10	A	10	GLU	-1	-0.815	-0.915	24.494	-0.075	-0.075	0.000	0.000	0.000	0.000
11	A	11	SER	0	-0.117	-0.063	22.369	0.018	0.018	0.000	0.000	0.000	0.000
12	A	12	ASP	-1	-0.773	-0.873	23.627	-0.149	-0.149	0.000	0.000	0.000	0.000
13	A	13	ASN	0	-0.017	-0.007	19.109	-0.016	-0.016	0.000	0.000	0.000	0.000
14	A	14	ILE	0	0.014	0.012	13.854	0.010	0.010	0.000	0.000	0.000	0.000
15	A	15	SER	0	0.002	0.012	14.902	-0.001	-0.001	0.000	0.000	0.000	0.000
16	A	16	VAL	0	-0.002	0.006	8.386	-0.027	-0.027	0.000	0.000	0.000	0.000
17	A	17	ILE	0	-0.028	-0.024	9.950	0.143	0.143	0.000	0.000	0.000	0.000
18	A	18	ASP	-1	-0.687	-0.792	5.309	2.282	2.282	0.000	0.000	0.000	0.000
19	A	19	VAL	0	-0.019	-0.014	6.196	0.140	0.140	0.000	0.000	0.000	0.000
20	A	20	THR	0	-0.069	-0.044	4.952	0.422	0.422	0.000	0.000	0.000	0.000
21	A	21	SER	0	-0.067	-0.068	7.671	-0.366	-0.366	0.000	0.000	0.000	0.000
22	A	22	ASN	0	-0.016	0.004	9.812	-0.112	-0.112	0.000	0.000	0.000	0.000
23	A	23	LYS	1	0.963	0.972	10.405	-0.740	-0.740	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.032	-0.014	10.548	-0.005	-0.005	0.000	0.000	0.000	0.000
25	A	25	THR	0	0.008	0.000	8.181	0.059	0.059	0.000	0.000	0.000	0.000
26	A	26	ALA	0	0.029	0.005	11.288	-0.050	-0.050	0.000	0.000	0.000	0.000
27	A	27	THR	0	-0.041	-0.012	12.952	0.010	0.010	0.000	0.000	0.000	0.000
28	A	28	ILE	0	-0.018	-0.001	11.888	-0.004	-0.004	0.000	0.000	0.000	0.000
29	A	29	PRO	0	-0.005	0.008	16.440	0.013	0.013	0.000	0.000	0.000	0.000
30	A	30	VAL	0	-0.050	-0.037	18.207	-0.047	-0.047	0.000	0.000	0.000	0.000
31	A	31	GLY	0	0.026	0.022	21.022	0.017	0.017	0.000	0.000	0.000	0.000
32	A	32	SER	0	-0.019	-0.018	24.341	0.010	0.010	0.000	0.000	0.000	0.000
33	A	33	ASN	0	-0.073	-0.044	26.140	-0.005	-0.005	0.000	0.000	0.000	0.000
34	A	34	PRO	0	-0.044	0.004	20.834	-0.004	-0.004	0.000	0.000	0.000	0.000
35	A	35	MET	0	-0.025	-0.018	22.961	0.024	0.024	0.000	0.000	0.000	0.000
36	A	36	GLY	0	-0.043	-0.025	20.136	0.020	0.020	0.000	0.000	0.000	0.000
37	A	37	ALA	0	0.001	0.014	15.134	-0.021	-0.021	0.000	0.000	0.000	0.000
38	A	38	VAL	0	-0.044	-0.027	15.077	0.039	0.039	0.000	0.000	0.000	0.000
39	A	39	ILE	0	-0.008	0.022	8.000	-0.056	-0.056	0.000	0.000	0.000	0.000
40	A	40	SER	0	-0.052	-0.047	12.209	0.104	0.104	0.000	0.000	0.000	0.000
41	A	41	PRO	0	0.013	0.000	11.336	-0.182	-0.182	0.000	0.000	0.000	0.000
42	A	42	ASP	-1	-0.799	-0.851	10.557	-1.404	-1.404	0.000	0.000	0.000	0.000
43	A	43	GLY	0	0.030	0.021	7.557	-0.442	-0.442	0.000	0.000	0.000	0.000
44	A	44	THR	0	-0.063	-0.056	7.670	-0.443	-0.443	0.000	0.000	0.000	0.000
45	A	45	LYS	1	0.818	0.907	9.929	1.297	1.297	0.000	0.000	0.000	0.000
46	A	46	VAL	0	0.026	0.016	10.646	-0.029	-0.029	0.000	0.000	0.000	0.000
47	A	47	TYR	0	-0.029	-0.023	13.328	0.077	0.077	0.000	0.000	0.000	0.000
48	A	48	VAL	0	0.026	-0.003	16.686	0.018	0.018	0.000	0.000	0.000	0.000
49	A	49	ALA	0	-0.013	0.007	19.068	0.012	0.012	0.000	0.000	0.000	0.000
50	A	50	ASN	0	-0.026	-0.025	22.446	0.014	0.014	0.000	0.000	0.000	0.000
51	A	51	ALA	0	0.017	0.016	24.790	0.006	0.006	0.000	0.000	0.000	0.000
52	A	52	HIS	0	0.037	-0.009	27.923	0.002	0.002	0.000	0.000	0.000	0.000
53	A	53	SER	0	-0.027	-0.024	26.849	0.010	0.010	0.000	0.000	0.000	0.000
54	A	54	ASN	0	-0.038	-0.005	29.489	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	55	ASP	-1	-0.785	-0.878	25.908	-0.239	-0.239	0.000	0.000	0.000	0.000
56	A	56	VAL	0	-0.007	-0.008	20.856	-0.001	-0.001	0.000	0.000	0.000	0.000
57	A	57	SER	0	0.013	0.030	19.469	0.008	0.008	0.000	0.000	0.000	0.000
58	A	58	ILE	0	-0.019	-0.009	16.623	-0.028	-0.028	0.000	0.000	0.000	0.000
59	A	59	ILE	0	0.013	0.003	11.856	0.027	0.027	0.000	0.000	0.000	0.000
60	A	60	ASP	-1	-0.796	-0.895	11.718	-1.400	-1.400	0.000	0.000	0.000	0.000
61	A	61	THR	0	-0.033	-0.054	6.822	0.122	0.122	0.000	0.000	0.000	0.000
62	A	62	ALA	0	0.018	0.021	7.072	-0.277	-0.277	0.000	0.000	0.000	0.000
63	A	63	THR	0	-0.064	-0.052	8.417	0.250	0.250	0.000	0.000	0.000	0.000
64	A	64	ASN	0	-0.054	-0.027	9.045	-0.015	-0.015	0.000	0.000	0.000	0.000
65	A	65	ASN	0	0.020	0.011	11.706	0.193	0.193	0.000	0.000	0.000	0.000
66	A	66	VAL	0	0.015	-0.002	15.117	-0.085	-0.085	0.000	0.000	0.000	0.000
67	A	67	ILE	0	-0.037	-0.013	16.192	0.034	0.034	0.000	0.000	0.000	0.000
68	A	68	ALA	0	-0.025	-0.016	18.878	0.036	0.036	0.000	0.000	0.000	0.000
69	A	69	THR	0	0.016	0.000	20.924	-0.032	-0.032	0.000	0.000	0.000	0.000
70	A	70	VAL	0	-0.037	-0.003	23.117	0.020	0.020	0.000	0.000	0.000	0.000
71	A	71	PRO	0	0.016	0.019	25.517	0.003	0.003	0.000	0.000	0.000	0.000
72	A	72	ALA	0	-0.004	-0.023	26.920	-0.008	-0.008	0.000	0.000	0.000	0.000
73	A	73	GLY	0	-0.033	-0.011	29.039	0.013	0.013	0.000	0.000	0.000	0.000
74	A	74	SER	0	-0.024	-0.032	31.306	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	75	SER	0	0.005	0.002	30.502	0.008	0.008	0.000	0.000	0.000	0.000
76	A	76	PRO	0	-0.046	-0.008	25.773	0.005	0.005	0.000	0.000	0.000	0.000
77	A	77	GLN	0	-0.007	-0.020	26.086	0.005	0.005	0.000	0.000	0.000	0.000
78	A	78	GLY	0	0.032	0.013	23.036	-0.005	-0.005	0.000	0.000	0.000	0.000
79	A	79	VAL	0	0.007	-0.015	19.748	0.000	0.000	0.000	0.000	0.000	0.000
80	A	80	ALA	0	-0.021	-0.004	19.687	0.002	0.002	0.000	0.000	0.000	0.000
81	A	81	VAL	0	0.001	-0.004	16.278	-0.005	-0.005	0.000	0.000	0.000	0.000
82	A	82	SER	0	0.000	-0.005	18.803	0.001	0.001	0.000	0.000	0.000	0.000
83	A	83	PRO	0	0.044	0.008	18.055	-0.060	-0.060	0.000	0.000	0.000	0.000
84	A	84	ASP	-1	-0.812	-0.891	17.353	-0.473	-0.473	0.000	0.000	0.000	0.000
85	A	85	GLY	0	0.007	0.009	16.933	-0.056	-0.056	0.000	0.000	0.000	0.000
86	A	86	LYS	1	0.858	0.937	17.810	0.450	0.450	0.000	0.000	0.000	0.000
87	A	87	GLN	0	0.004	0.013	21.236	0.043	0.043	0.000	0.000	0.000	0.000
88	A	88	VAL	0	-0.007	0.007	19.371	-0.019	-0.019	0.000	0.000	0.000	0.000
89	A	89	TYR	0	-0.029	-0.030	22.070	0.036	0.036	0.000	0.000	0.000	0.000
90	A	90	VAL	0	0.065	0.027	23.507	-0.012	-0.012	0.000	0.000	0.000	0.000
91	A	91	THR	0	-0.021	-0.007	25.660	0.012	0.012	0.000	0.000	0.000	0.000
92	A	92	ASN	0	0.005	0.006	28.115	-0.011	-0.011	0.000	0.000	0.000	0.000
93	A	93	MET	0	0.020	0.015	30.787	0.012	0.012	0.000	0.000	0.000	0.000
94	A	94	ALA	0	0.037	-0.004	32.625	0.010	0.010	0.000	0.000	0.000	0.000
95	A	95	SER	0	-0.026	-0.017	34.493	0.005	0.005	0.000	0.000	0.000	0.000
96	A	96	SER	0	-0.050	-0.025	35.038	0.004	0.004	0.000	0.000	0.000	0.000
97	A	97	THR	0	-0.002	0.007	33.803	0.002	0.002	0.000	0.000	0.000	0.000
98	A	98	LEU	0	-0.006	0.008	27.539	-0.003	-0.003	0.000	0.000	0.000	0.000
99	A	99	SER	0	0.013	0.011	27.840	0.009	0.009	0.000	0.000	0.000	0.000
100	A	100	VAL	0	-0.025	-0.015	26.949	-0.011	-0.011	0.000	0.000	0.000	0.000
101	A	101	ILE	0	-0.003	-0.012	23.422	0.013	0.013	0.000	0.000	0.000	0.000
102	A	102	ASP	-1	-0.794	-0.856	24.104	-0.364	-0.364	0.000	0.000	0.000	0.000
103	A	103	THR	0	0.007	-0.038	19.334	0.012	0.012	0.000	0.000	0.000	0.000
104	A	104	THR	0	-0.112	-0.051	21.363	-0.026	-0.026	0.000	0.000	0.000	0.000
105	A	105	SER	0	-0.049	-0.041	23.395	0.011	0.011	0.000	0.000	0.000	0.000
106	A	106	ASN	0	-0.018	-0.013	20.857	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	107	THR	0	0.017	0.009	24.188	0.028	0.028	0.000	0.000	0.000	0.000
108	A	108	VAL	0	0.003	0.004	27.360	-0.010	-0.010	0.000	0.000	0.000	0.000
109	A	109	ALA	0	0.029	0.021	29.011	0.013	0.013	0.000	0.000	0.000	0.000
110	A	110	GLY	0	-0.012	-0.017	30.680	0.013	0.013	0.000	0.000	0.000	0.000
111	A	111	THR	0	-0.044	-0.021	31.374	-0.007	-0.007	0.000	0.000	0.000	0.000
112	A	112	VAL	0	-0.002	0.011	32.391	0.009	0.009	0.000	0.000	0.000	0.000
113	A	113	LYS	1	0.962	0.983	34.473	0.098	0.098	0.000	0.000	0.000	0.000
114	A	114	THR	0	-0.014	-0.002	32.421	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	115	GLY	0	0.013	0.011	35.808	0.006	0.006	0.000	0.000	0.000	0.000
116	A	116	LYS	1	0.849	0.888	36.834	0.056	0.056	0.000	0.000	0.000	0.000
117	A	117	SER	0	-0.021	-0.018	34.433	0.004	0.004	0.000	0.000	0.000	0.000
118	A	118	PRO	0	-0.048	0.014	31.098	0.006	0.006	0.000	0.000	0.000	0.000
119	A	119	LEU	0	0.010	-0.008	27.792	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	120	GLY	0	0.045	0.043	26.175	-0.017	-0.017	0.000	0.000	0.000	0.000
121	A	121	LEU	0	-0.043	-0.031	23.334	0.007	0.007	0.000	0.000	0.000	0.000
122	A	122	ALA	0	-0.004	0.006	23.214	-0.012	-0.012	0.000	0.000	0.000	0.000
123	A	123	LEU	0	-0.007	0.004	21.365	0.014	0.014	0.000	0.000	0.000	0.000
124	A	124	SER	0	-0.019	-0.024	22.952	0.004	0.004	0.000	0.000	0.000	0.000
125	A	125	PRO	0	0.070	0.028	21.363	-0.028	-0.028	0.000	0.000	0.000	0.000
126	A	126	ASP	-1	-0.807	-0.872	21.756	-0.193	-0.193	0.000	0.000	0.000	0.000
127	A	127	GLY	0	-0.001	0.001	23.873	-0.017	-0.017	0.000	0.000	0.000	0.000
128	A	128	LYS	1	0.856	0.925	24.390	0.162	0.162	0.000	0.000	0.000	0.000
129	A	129	LYS	1	0.854	0.933	27.628	0.112	0.112	0.000	0.000	0.000	0.000
130	A	130	LEU	0	0.010	0.020	25.035	-0.010	-0.010	0.000	0.000	0.000	0.000
131	A	131	TYR	0	-0.008	-0.008	27.273	0.019	0.019	0.000	0.000	0.000	0.000
132	A	132	VAL	0	0.042	0.014	27.986	-0.009	-0.009	0.000	0.000	0.000	0.000
133	A	133	THR	0	-0.018	-0.008	29.529	0.008	0.008	0.000	0.000	0.000	0.000
134	A	134	ASN	0	0.013	-0.014	31.711	-0.014	-0.014	0.000	0.000	0.000	0.000
135	A	135	ASN	0	0.086	0.044	32.829	0.015	0.015	0.000	0.000	0.000	0.000
136	A	136	GLY	0	0.005	0.003	34.792	0.008	0.008	0.000	0.000	0.000	0.000
137	A	137	ASP	-1	-0.839	-0.931	37.889	-0.062	-0.062	0.000	0.000	0.000	0.000
138	A	138	LYS	1	0.885	0.965	38.221	0.035	0.035	0.000	0.000	0.000	0.000
139	A	139	THR	0	0.020	0.014	37.373	0.000	0.000	0.000	0.000	0.000	0.000
140	A	140	VAL	0	0.035	0.017	31.860	-0.004	-0.004	0.000	0.000	0.000	0.000
141	A	141	SER	0	-0.022	0.001	33.564	0.005	0.005	0.000	0.000	0.000	0.000
142	A	142	VAL	0	-0.012	0.001	32.336	-0.009	-0.009	0.000	0.000	0.000	0.000
143	A	143	ILE	0	-0.014	-0.017	30.998	0.005	0.005	0.000	0.000	0.000	0.000
144	A	144	ASN	0	0.007	0.019	30.942	-0.017	-0.017	0.000	0.000	0.000	0.000
145	A	145	THR	0	0.026	-0.017	26.615	0.008	0.008	0.000	0.000	0.000	0.000
146	A	146	VAL	0	-0.007	0.009	29.743	-0.010	-0.010	0.000	0.000	0.000	0.000
147	A	147	THR	0	-0.032	-0.030	31.636	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	148	LYS	1	0.865	0.935	30.630	0.209	0.209	0.000	0.000	0.000	0.000
149	A	149	ALA	0	0.032	0.021	33.585	0.006	0.006	0.000	0.000	0.000	0.000
150	A	150	VAL	0	0.000	-0.003	35.224	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	151	ILE	0	-0.028	-0.019	34.755	0.006	0.006	0.000	0.000	0.000	0.000
152	A	152	ASN	0	-0.014	-0.020	37.024	0.008	0.008	0.000	0.000	0.000	0.000
153	A	153	THR	0	0.012	0.006	36.991	-0.008	-0.008	0.000	0.000	0.000	0.000
154	A	154	VAL	0	0.035	0.038	35.519	0.006	0.006	0.000	0.000	0.000	0.000
155	A	155	SER	0	0.009	0.003	37.905	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	156	VAL	0	-0.028	-0.011	34.847	0.003	0.003	0.000	0.000	0.000	0.000
157	A	157	GLY	0	0.007	0.012	36.918	0.003	0.003	0.000	0.000	0.000	0.000
158	A	158	ARG	1	0.831	0.873	38.190	0.008	0.008	0.000	0.000	0.000	0.000
159	A	159	SER	0	-0.035	-0.017	35.221	0.005	0.005	0.000	0.000	0.000	0.000
160	A	160	PRO	0	-0.029	0.001	32.909	0.004	0.004	0.000	0.000	0.000	0.000
161	A	161	LYS	1	0.911	0.955	29.215	0.028	0.028	0.000	0.000	0.000	0.000
162	A	162	GLY	0	0.037	0.047	26.167	-0.015	-0.015	0.000	0.000	0.000	0.000
163	A	163	ILE	0	-0.044	-0.029	25.365	0.010	0.010	0.000	0.000	0.000	0.000
164	A	164	ALA	0	0.000	0.008	22.486	-0.018	-0.018	0.000	0.000	0.000	0.000
165	A	165	VAL	0	-0.013	-0.006	23.114	0.014	0.014	0.000	0.000	0.000	0.000
166	A	166	THR	0	-0.028	-0.031	22.396	-0.005	-0.005	0.000	0.000	0.000	0.000
167	A	167	PRO	0	0.057	0.023	19.357	-0.023	-0.023	0.000	0.000	0.000	0.000
168	A	168	ASP	-1	-0.804	-0.862	21.190	-0.043	-0.043	0.000	0.000	0.000	0.000
169	A	169	GLY	0	-0.039	-0.018	24.290	-0.008	-0.008	0.000	0.000	0.000	0.000
170	A	170	THR	0	-0.036	-0.013	25.918	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	171	LYS	1	0.935	0.973	27.778	-0.015	-0.015	0.000	0.000	0.000	0.000
172	A	172	VAL	0	-0.011	-0.001	27.108	-0.008	-0.008	0.000	0.000	0.000	0.000
173	A	173	TYR	0	-0.037	-0.021	26.614	0.009	0.009	0.000	0.000	0.000	0.000
174	A	174	VAL	0	0.015	-0.012	28.141	-0.012	-0.012	0.000	0.000	0.000	0.000
175	A	175	ALA	0	0.030	0.034	29.033	0.011	0.011	0.000	0.000	0.000	0.000
176	A	176	ASN	0	-0.033	-0.036	30.841	-0.017	-0.017	0.000	0.000	0.000	0.000
177	A	177	PHE	0	0.072	0.026	31.472	0.006	0.006	0.000	0.000	0.000	0.000
178	A	178	ASP	-1	-0.792	-0.903	34.252	-0.011	-0.011	0.000	0.000	0.000	0.000
179	A	179	SER	0	-0.078	-0.035	37.469	0.001	0.001	0.000	0.000	0.000	0.000
180	A	180	MET	0	-0.042	0.011	36.181	0.002	0.002	0.000	0.000	0.000	0.000
181	A	181	SER	0	-0.002	-0.005	35.895	0.003	0.003	0.000	0.000	0.000	0.000
182	A	182	ILE	0	0.025	0.011	30.105	-0.004	-0.004	0.000	0.000	0.000	0.000
183	A	183	SER	0	-0.008	0.017	33.422	0.003	0.003	0.000	0.000	0.000	0.000
184	A	184	VAL	0	0.004	0.009	31.208	-0.003	-0.003	0.000	0.000	0.000	0.000
185	A	185	ILE	0	-0.030	-0.021	31.929	0.000	0.000	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.756	-0.848	31.847	-0.042	-0.042	0.000	0.000	0.000	0.000
187	A	187	THR	0	-0.047	-0.069	28.789	-0.003	-0.003	0.000	0.000	0.000	0.000
188	A	188	VAL	0	-0.050	-0.017	32.278	-0.009	-0.009	0.000	0.000	0.000	0.000
189	A	189	THR	0	-0.052	-0.055	34.804	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	190	ASN	0	-0.047	-0.027	34.492	-0.009	-0.009	0.000	0.000	0.000	0.000
191	A	191	SER	0	0.035	0.031	36.130	0.001	0.001	0.000	0.000	0.000	0.000
192	A	192	VAL	0	-0.023	-0.014	36.574	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	ILE	0	-0.007	-0.008	33.906	0.003	0.003	0.000	0.000	0.000	0.000
194	A	194	ASP	-1	-0.829	-0.919	35.627	0.024	0.024	0.000	0.000	0.000	0.000
195	A	195	THR	0	-0.057	-0.032	36.170	-0.007	-0.007	0.000	0.000	0.000	0.000
196	A	196	VAL	0	0.018	0.015	33.267	0.004	0.004	0.000	0.000	0.000	0.000
197	A	197	LYS	1	0.946	0.974	35.906	-0.027	-0.027	0.000	0.000	0.000	0.000
198	A	198	VAL	0	-0.025	-0.025	32.711	0.007	0.007	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.814	-0.894	35.347	0.066	0.066	0.000	0.000	0.000	0.000
200	A	200	ALA	0	0.019	0.017	33.646	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	201	ALA	0	0.029	0.019	33.912	-0.004	-0.004	0.000	0.000	0.000	0.000
202	A	202	PRO	0	-0.072	-0.006	30.447	0.004	0.004	0.000	0.000	0.000	0.000
203	A	203	SER	0	-0.011	-0.015	27.762	-0.015	-0.015	0.000	0.000	0.000	0.000
204	A	204	GLY	0	0.053	0.023	24.305	-0.018	-0.018	0.000	0.000	0.000	0.000
205	A	205	ILE	0	-0.033	-0.040	23.796	0.018	0.018	0.000	0.000	0.000	0.000
206	A	206	ALA	0	-0.010	0.011	18.867	-0.027	-0.027	0.000	0.000	0.000	0.000
207	A	207	VAL	0	-0.015	-0.005	20.534	0.031	0.031	0.000	0.000	0.000	0.000
208	A	208	ASN	0	-0.010	-0.010	17.711	-0.044	-0.044	0.000	0.000	0.000	0.000
209	A	209	PRO	0	0.062	0.010	14.040	-0.040	-0.040	0.000	0.000	0.000	0.000
210	A	210	GLU	-1	-0.885	-0.919	16.640	0.231	0.231	0.000	0.000	0.000	0.000
211	A	211	GLY	0	-0.011	-0.004	19.580	-0.024	-0.024	0.000	0.000	0.000	0.000
212	A	212	THR	0	-0.033	0.013	22.132	-0.017	-0.017	0.000	0.000	0.000	0.000
213	A	213	LYS	1	0.959	0.976	22.376	-0.245	-0.245	0.000	0.000	0.000	0.000
214	A	214	ALA	0	0.004	0.004	22.337	-0.004	-0.004	0.000	0.000	0.000	0.000
215	A	215	TYR	0	0.010	-0.005	20.320	0.014	0.014	0.000	0.000	0.000	0.000
216	A	216	VAL	0	-0.019	-0.023	23.527	-0.025	-0.025	0.000	0.000	0.000	0.000
217	A	217	THR	0	0.001	0.008	23.592	0.016	0.016	0.000	0.000	0.000	0.000
218	A	218	ASN	0	-0.038	-0.016	26.303	-0.007	-0.007	0.000	0.000	0.000	0.000
219	A	219	VAL	0	0.050	0.015	29.689	0.008	0.008	0.000	0.000	0.000	0.000
220	A	220	ASP	-1	-0.811	-0.939	31.783	0.039	0.039	0.000	0.000	0.000	0.000
221	A	221	LYS	1	0.906	0.968	34.041	-0.029	-0.029	0.000	0.000	0.000	0.000
222	A	222	TYR	0	-0.010	-0.017	34.606	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	223	PHE	0	-0.017	0.008	33.856	0.010	0.010	0.000	0.000	0.000	0.000
224	A	224	ASN	0	0.008	0.019	29.257	-0.012	-0.012	0.000	0.000	0.000	0.000
225	A	225	THR	0	-0.038	-0.032	28.225	0.013	0.013	0.000	0.000	0.000	0.000
226	A	226	VAL	0	0.030	0.012	22.511	-0.015	-0.015	0.000	0.000	0.000	0.000
227	A	227	SER	0	-0.022	-0.018	25.944	0.016	0.016	0.000	0.000	0.000	0.000
228	A	228	MET	0	0.027	0.034	24.372	0.011	0.011	0.000	0.000	0.000	0.000
229	A	229	ILE	0	-0.037	-0.027	26.597	-0.004	-0.004	0.000	0.000	0.000	0.000
230	A	230	ASP	-1	-0.781	-0.860	27.018	0.095	0.095	0.000	0.000	0.000	0.000
231	A	231	THR	0	-0.023	-0.053	25.340	-0.011	-0.011	0.000	0.000	0.000	0.000
232	A	232	GLY	0	0.002	0.009	28.454	-0.013	-0.013	0.000	0.000	0.000	0.000
233	A	233	THR	0	-0.061	-0.048	31.142	-0.007	-0.007	0.000	0.000	0.000	0.000
234	A	234	ASN	0	-0.052	-0.022	31.741	-0.005	-0.005	0.000	0.000	0.000	0.000
235	A	235	LYS	1	0.888	0.922	32.416	-0.044	-0.044	0.000	0.000	0.000	0.000
236	A	236	ILE	0	-0.021	-0.001	30.863	0.008	0.008	0.000	0.000	0.000	0.000
237	A	237	THR	0	-0.017	-0.011	29.221	0.004	0.004	0.000	0.000	0.000	0.000
238	A	238	ALA	0	-0.021	-0.007	27.939	0.009	0.009	0.000	0.000	0.000	0.000
239	A	239	ARG	1	0.826	0.874	29.013	-0.093	-0.093	0.000	0.000	0.000	0.000
240	A	240	ILE	0	0.020	0.027	23.650	0.006	0.006	0.000	0.000	0.000	0.000
241	A	241	PRO	0	0.014	0.013	27.199	-0.011	-0.011	0.000	0.000	0.000	0.000
242	A	242	VAL	0	-0.013	0.003	23.826	0.019	0.019	0.000	0.000	0.000	0.000
243	A	243	GLY	0	0.006	0.007	25.728	-0.010	-0.010	0.000	0.000	0.000	0.000
244	A	244	PRO	0	-0.033	-0.046	27.462	-0.005	-0.005	0.000	0.000	0.000	0.000
245	A	245	ASP	-1	-0.900	-0.947	27.893	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	246	PRO	0	-0.005	0.024	25.192	-0.006	-0.006	0.000	0.000	0.000	0.000
247	A	247	ALA	0	0.033	0.001	24.176	-0.009	-0.009	0.000	0.000	0.000	0.000
248	A	248	GLY	0	-0.013	0.022	21.386	0.004	0.004	0.000	0.000	0.000	0.000
249	A	249	ILE	0	-0.002	-0.018	19.255	0.028	0.028	0.000	0.000	0.000	0.000
250	A	250	ALA	0	0.000	0.012	14.963	-0.037	-0.037	0.000	0.000	0.000	0.000
251	A	251	VAL	0	-0.005	0.002	15.159	0.060	0.060	0.000	0.000	0.000	0.000
252	A	252	THR	0	0.008	-0.010	10.126	-0.144	-0.144	0.000	0.000	0.000	0.000
253	A	253	PRO	0	0.063	0.026	7.932	0.028	0.028	0.000	0.000	0.000	0.000
254	A	254	ASP	-1	-0.816	-0.876	9.510	1.330	1.330	0.000	0.000	0.000	0.000
255	A	255	GLY	0	-0.028	-0.021	11.323	-0.043	-0.043	0.000	0.000	0.000	0.000
256	A	256	LYS	1	0.869	0.939	11.387	-1.434	-1.434	0.000	0.000	0.000	0.000
257	A	257	LYS	1	0.854	0.921	10.570	-1.213	-1.213	0.000	0.000	0.000	0.000
258	A	258	VAL	0	-0.012	0.003	14.624	-0.058	-0.058	0.000	0.000	0.000	0.000
259	A	259	TYR	0	0.002	-0.005	11.483	-0.004	-0.004	0.000	0.000	0.000	0.000
260	A	260	VAL	0	0.028	-0.004	16.228	-0.053	-0.053	0.000	0.000	0.000	0.000
261	A	261	ALA	0	0.018	0.021	19.170	0.019	0.019	0.000	0.000	0.000	0.000
262	A	262	LEU	0	-0.026	-0.011	20.501	-0.007	-0.007	0.000	0.000	0.000	0.000
263	A	263	SER	0	0.019	0.011	23.839	0.001	0.001	0.000	0.000	0.000	0.000
264	A	264	PHE	0	0.038	-0.005	25.456	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	265	YCM	0	-0.049	-0.028	25.184	0.001	0.001	0.000	0.000	0.000	0.000
266	A	266	ASN	0	0.015	0.028	23.626	-0.006	-0.006	0.000	0.000	0.000	0.000
267	A	267	THR	0	0.001	-0.002	20.627	0.007	0.007	0.000	0.000	0.000	0.000
268	A	268	VAL	0	0.027	0.015	15.675	-0.025	-0.025	0.000	0.000	0.000	0.000
269	A	269	SER	0	-0.017	-0.008	18.273	0.042	0.042	0.000	0.000	0.000	0.000
270	A	270	VAL	0	-0.018	-0.012	14.069	-0.010	-0.010	0.000	0.000	0.000	0.000
271	A	271	ILE	0	-0.022	-0.020	17.006	0.001	0.001	0.000	0.000	0.000	0.000
272	A	272	ASP	-1	-0.781	-0.856	17.248	0.556	0.556	0.000	0.000	0.000	0.000
273	A	273	THR	0	-0.057	-0.061	17.417	-0.049	-0.049	0.000	0.000	0.000	0.000
274	A	274	ALA	0	-0.052	-0.016	19.394	-0.044	-0.044	0.000	0.000	0.000	0.000
275	A	275	THR	0	-0.057	-0.058	21.024	-0.051	-0.051	0.000	0.000	0.000	0.000
276	A	276	ASN	0	-0.032	-0.026	22.496	-0.017	-0.017	0.000	0.000	0.000	0.000
277	A	277	THR	0	0.013	0.004	22.342	-0.025	-0.025	0.000	0.000	0.000	0.000
278	A	278	ILE	0	-0.010	-0.011	20.923	0.031	0.031	0.000	0.000	0.000	0.000
279	A	279	THR	0	-0.033	-0.017	17.638	0.017	0.017	0.000	0.000	0.000	0.000
280	A	280	ALA	0	-0.014	-0.009	16.686	0.028	0.028	0.000	0.000	0.000	0.000
281	A	281	THR	0	0.005	-0.001	18.839	-0.013	-0.013	0.000	0.000	0.000	0.000
282	A	282	MET	0	-0.046	-0.006	15.559	0.005	0.005	0.000	0.000	0.000	0.000
283	A	283	ALA	0	0.003	-0.001	18.433	-0.032	-0.032	0.000	0.000	0.000	0.000
284	A	284	VAL	0	-0.031	-0.014	16.505	0.013	0.013	0.000	0.000	0.000	0.000
285	A	285	GLY	0	0.023	0.016	19.127	0.002	0.002	0.000	0.000	0.000	0.000
286	A	286	LYS	1	0.947	0.960	21.422	0.049	0.049	0.000	0.000	0.000	0.000
287	A	287	ASN	0	0.008	0.006	24.479	-0.015	-0.015	0.000	0.000	0.000	0.000
288	A	288	PRO	0	-0.065	0.007	20.319	-0.022	-0.022	0.000	0.000	0.000	0.000
289	A	289	TYR	0	0.010	-0.005	21.312	0.024	0.024	0.000	0.000	0.000	0.000
290	A	290	ALA	0	0.027	0.006	17.055	-0.029	-0.029	0.000	0.000	0.000	0.000
291	A	291	SER	0	0.008	0.002	19.124	0.046	0.046	0.000	0.000	0.000	0.000
292	A	292	GLY	0	0.016	0.010	18.792	-0.038	-0.038	0.000	0.000	0.000	0.000
293	A	293	GLN	0	0.024	0.004	14.640	0.025	0.025	0.000	0.000	0.000	0.000
294	A	294	PHE	0	0.024	0.025	13.403	-0.093	-0.093	0.000	0.000	0.000	0.000
295	A	295	ILE	0	0.002	-0.011	9.007	-0.015	-0.015	0.000	0.000	0.000	0.000
296	A	296	GLY	0	0.012	0.006	8.152	0.210	0.210	0.000	0.000	0.000	0.000
297	A	297	SER	0	-0.057	-0.045	3.409	-0.480	-0.144	0.005	-0.126	-0.216	0.000
298	A	298	ILE	0	0.002	0.014	2.411	-0.111	1.049	1.025	-0.699	-1.487	-0.002
299	A	299	PRO	0	-0.042	-0.019	2.352	-6.290	-5.301	2.153	-1.352	-1.789	-0.019
300	A	300	VAL	0	0.000	-0.009	4.564	-0.494	-0.345	-0.001	-0.013	-0.134	0.000
301	A	301	GLN	0	-0.031	-0.018	2.407	-0.148	1.705	0.634	-0.961	-1.527	0.007
302	A	302	PRO	0	0.017	0.028	4.271	0.708	0.772	0.000	-0.027	-0.037	0.000
303	A	303	VAL	0	-0.007	-0.007	7.463	0.375	0.375	0.000	0.000	0.000	0.000
304	A	304	TYR	0	0.025	0.029	6.007	-0.058	-0.058	0.000	0.000	0.000	0.000
305	A	305	PRO	0	-0.026	0.015	10.922	0.076	0.076	0.000	0.000	0.000	0.000
306	A	306	SER	0	-0.067	-0.039	13.671	0.099	0.099	0.000	0.000	0.000	0.000
307	A	307	ALA	0	-0.002	-0.016	15.301	-0.047	-0.047	0.000	0.000	0.000	0.000
308	A	308	ASP	-1	-0.850	-0.932	18.393	0.336	0.336	0.000	0.000	0.000	0.000
309	A	309	PHE	0	-0.061	-0.024	21.047	-0.039	-0.039	0.000	0.000	0.000	0.000
310	A	310	LYS	1	0.986	1.010	24.832	-0.120	-0.120	0.000	0.000	0.000	0.000
311	A	311	SER	0	0.035	0.005	28.143	-0.012	-0.012	0.000	0.000	0.000	0.000
312	A	312	ASN	0	-0.029	-0.008	31.731	0.008	0.008	0.000	0.000	0.000	0.000
313	A	313	ILE	0	0.009	0.009	33.809	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	314	THR	0	-0.008	-0.006	34.449	0.008	0.008	0.000	0.000	0.000	0.000
315	A	315	SER	0	-0.010	-0.003	36.452	0.008	0.008	0.000	0.000	0.000	0.000
316	A	316	GLY	0	0.043	0.036	34.974	0.002	0.002	0.000	0.000	0.000	0.000
317	A	317	TYR	0	-0.038	-0.037	35.952	0.003	0.003	0.000	0.000	0.000	0.000
318	A	318	ILE	0	-0.008	0.001	37.890	0.000	0.000	0.000	0.000	0.000	0.000
319	A	319	PHE	0	-0.017	-0.008	40.042	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	320	LEU	0	0.019	0.011	42.741	0.000	0.000	0.000	0.000	0.000	0.000
321	A	321	SER	0	-0.039	-0.021	43.621	-0.003	-0.003	0.000	0.000	0.000	0.000
322	A	322	GLU	-1	-0.839	-0.907	42.325	0.065	0.065	0.000	0.000	0.000	0.000
323	A	323	PRO	0	-0.035	-0.025	40.262	0.003	0.003	0.000	0.000	0.000	0.000
324	A	324	VAL	0	-0.003	0.007	34.214	0.004	0.004	0.000	0.000	0.000	0.000
325	A	325	GLN	0	-0.048	-0.023	33.058	-0.010	-0.010	0.000	0.000	0.000	0.000
326	A	326	PHE	0	-0.004	-0.010	29.681	0.009	0.009	0.000	0.000	0.000	0.000
327	A	327	THR	0	-0.053	-0.033	28.211	-0.013	-0.013	0.000	0.000	0.000	0.000
328	A	328	ASP	-1	-0.739	-0.859	23.370	0.134	0.134	0.000	0.000	0.000	0.000
329	A	329	LEU	0	-0.084	-0.043	23.179	-0.013	-0.013	0.000	0.000	0.000	0.000
330	A	330	SER	0	0.008	-0.021	19.321	0.039	0.039	0.000	0.000	0.000	0.000
331	A	331	LYS	1	0.884	0.956	15.879	-0.417	-0.417	0.000	0.000	0.000	0.000
332	A	332	ASP	-1	-0.866	-0.932	14.453	0.083	0.083	0.000	0.000	0.000	0.000
333	A	333	ALA	0	0.008	0.012	16.606	-0.027	-0.027	0.000	0.000	0.000	0.000
334	A	334	THR	0	-0.017	-0.018	19.146	-0.016	-0.016	0.000	0.000	0.000	0.000
335	A	335	GLU	-1	-0.895	-0.925	21.048	-0.055	-0.055	0.000	0.000	0.000	0.000
336	A	336	TRP	0	0.030	-0.009	21.911	0.009	0.009	0.000	0.000	0.000	0.000
337	A	337	LYS	1	0.928	0.960	24.181	-0.039	-0.039	0.000	0.000	0.000	0.000
338	A	338	TRP	0	-0.007	-0.002	25.467	0.018	0.018	0.000	0.000	0.000	0.000
339	A	339	ASP	-1	-0.853	-0.927	27.507	0.075	0.075	0.000	0.000	0.000	0.000
340	A	340	PHE	0	-0.016	-0.015	29.299	0.012	0.012	0.000	0.000	0.000	0.000
341	A	341	GLY	0	0.085	0.052	31.612	0.005	0.005	0.000	0.000	0.000	0.000
342	A	342	ASP	-1	-0.787	-0.868	32.559	0.060	0.060	0.000	0.000	0.000	0.000
343	A	343	GLY	0	0.007	0.015	34.537	-0.006	-0.006	0.000	0.000	0.000	0.000
344	A	344	SER	0	-0.086	-0.053	35.495	-0.008	-0.008	0.000	0.000	0.000	0.000
345	A	345	SER	0	-0.022	-0.035	30.698	0.003	0.003	0.000	0.000	0.000	0.000
346	A	346	SER	0	-0.003	-0.013	30.689	-0.008	-0.008	0.000	0.000	0.000	0.000
347	A	347	LYS	1	0.914	0.947	26.416	0.038	0.038	0.000	0.000	0.000	0.000
348	A	348	LYS	1	0.926	0.976	28.549	-0.019	-0.019	0.000	0.000	0.000	0.000
349	A	349	GLN	0	0.054	0.036	25.653	0.011	0.011	0.000	0.000	0.000	0.000
350	A	350	ASN	0	0.016	0.007	27.994	0.024	0.024	0.000	0.000	0.000	0.000
351	A	351	PRO	0	-0.073	-0.014	29.897	-0.008	-0.008	0.000	0.000	0.000	0.000
352	A	352	THR	0	0.035	-0.002	32.949	0.008	0.008	0.000	0.000	0.000	0.000
353	A	353	HIS	1	0.791	0.896	35.275	-0.065	-0.065	0.000	0.000	0.000	0.000
354	A	354	THR	0	0.048	0.033	37.173	0.003	0.003	0.000	0.000	0.000	0.000
355	A	355	TYR	0	-0.020	-0.022	33.742	-0.002	-0.002	0.000	0.000	0.000	0.000
356	A	356	SER	0	0.036	0.003	40.473	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	357	GLU	-1	-0.932	-0.963	42.395	0.049	0.049	0.000	0.000	0.000	0.000
358	A	358	THR	0	-0.034	-0.001	41.799	0.003	0.003	0.000	0.000	0.000	0.000
359	A	359	GLY	0	0.009	0.003	40.090	-0.002	-0.002	0.000	0.000	0.000	0.000
360	A	360	ILE	0	-0.026	-0.002	34.140	0.003	0.003	0.000	0.000	0.000	0.000
361	A	361	TYR	0	-0.012	-0.023	34.080	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	362	THR	0	-0.033	-0.022	27.722	0.013	0.013	0.000	0.000	0.000	0.000
363	A	363	VAL	0	-0.025	-0.014	28.140	-0.011	-0.011	0.000	0.000	0.000	0.000
364	A	364	ARG	1	0.938	0.954	23.192	-0.119	-0.119	0.000	0.000	0.000	0.000
365	A	365	LEU	0	-0.061	-0.014	22.329	-0.023	-0.023	0.000	0.000	0.000	0.000
366	A	366	THR	0	-0.026	-0.033	19.920	0.022	0.022	0.000	0.000	0.000	0.000
367	A	367	VAL	0	-0.016	-0.007	17.800	-0.028	-0.028	0.000	0.000	0.000	0.000
368	A	368	SER	0	-0.009	-0.019	17.111	0.006	0.006	0.000	0.000	0.000	0.000
369	A	369	ASN	0	0.037	-0.003	13.531	-0.042	-0.042	0.000	0.000	0.000	0.000
370	A	370	SER	0	0.002	-0.010	15.015	0.012	0.012	0.000	0.000	0.000	0.000
371	A	371	ASN	0	-0.029	-0.009	10.803	-0.130	-0.130	0.000	0.000	0.000	0.000
372	A	372	GLY	0	0.035	0.014	11.980	-0.054	-0.054	0.000	0.000	0.000	0.000
373	A	373	THR	0	-0.089	-0.052	13.480	0.007	0.007	0.000	0.000	0.000	0.000
374	A	374	ASP	-1	-0.730	-0.837	14.089	0.496	0.496	0.000	0.000	0.000	0.000
375	A	375	SER	0	-0.071	-0.040	15.895	-0.067	-0.067	0.000	0.000	0.000	0.000
376	A	376	GLN	0	0.008	0.020	18.289	0.055	0.055	0.000	0.000	0.000	0.000
377	A	377	ILE	0	-0.049	-0.020	20.956	-0.040	-0.040	0.000	0.000	0.000	0.000
378	A	378	SER	0	0.024	0.015	24.065	0.009	0.009	0.000	0.000	0.000	0.000
379	A	379	THR	0	0.001	0.011	27.285	-0.010	-0.010	0.000	0.000	0.000	0.000
380	A	380	VAL	0	0.000	0.006	30.660	0.001	0.001	0.000	0.000	0.000	0.000
381	A	381	ASN	0	-0.016	-0.013	33.837	-0.007	-0.007	0.000	0.000	0.000	0.000
382	A	382	VAL	0	0.024	0.020	37.216	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	383	VAL	0	0.031	0.005	40.131	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	384	LEU	0	0.053	0.020	43.473	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	385	LYS	1	0.860	0.921	46.983	-0.057	-0.057	0.000	0.000	0.000	0.000
386	A	386	GLY	0	0.004	0.005	48.659	-0.003	-0.003	0.000	0.000	0.000	0.000
387	A	387	SER	0	-0.045	-0.012	46.450	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	388	PRO	0	-0.004	-0.012	45.135	0.002	0.002	0.000	0.000	0.000	0.000
389	A	389	THR	0	0.026	0.024	42.007	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	390	PRO	0	-0.031	-0.011	37.254	0.000	0.000	0.000	0.000	0.000	0.000
391	A	391	SER	0	-0.005	0.007	36.318	0.003	0.003	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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