FMO DATABASE

FMODB ID: 3M4ML

Calculation Name: 3EHS-A-Xray547

Preferred Name: Corticotropin releasing factor receptor 1

Target Type: SINGLE PROTEIN

Ligand Name: alpha-d-glucopyranose

Ligand 3-letter code: GLC

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 3EHS

Chain ID: A

ChEMBL ID: CHEMBL1800

UniProt ID: P34998

Base Structure: X-ray

Registration Date: 2025-10-05

Reference: Sci Data 11, 1164 (2024).

DOI: https://doi.org/10.1038/s41597-024-03999-2

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Homology Modeling
Water	No
Procedure	Manual calculation
Remarks	ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE.

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	454
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922

Total energy (hartree)

FMO2-HF: Electronic energy	-7883503.95758
FMO2-HF: Nuclear repulsion	7708180.801042
FMO2-HF: Total energy	-175323.156537
FMO2-MP2: Total energy	-175837.295317

3D Structure Molmil

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

Interactive mode: IFIE and PIEDA for fragment #1(A:-348:LYS)

Summations of interaction energy for fragment #1(A:-348:LYS)

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.
-510.499	-503.601	19.052	-14.757	-11.196	-0.167

Interaction energy analysis for fragmet #1(A:-348:LYS)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 2 / q_Mulliken : 1.705 / q_NPA : 1.843

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	-346	GLU	-1	-0.945	-0.960	2.996	-81.089	-78.485	0.168	-1.356	-1.416	-0.009
4	A	-345	GLU	-1	-0.928	-0.965	5.142	-53.251	-53.151	-0.001	-0.003	-0.097	0.000
54	A	-295	GLY	0	-0.030	-0.012	4.297	-10.927	-10.641	-0.001	-0.089	-0.197	0.000
55	A	-294	ASP	-1	-0.887	-0.961	1.751	-198.133	-194.192	18.869	-13.359	-9.451	-0.157
56	A	-293	GLY	0	0.010	0.024	3.366	8.493	8.460	0.017	0.050	-0.035	-0.001
5	A	-344	GLY	0	0.015	0.008	8.195	1.520	1.520	0.000	0.000	0.000	0.000
6	A	-343	LYS	1	0.781	0.887	7.612	67.921	67.921	0.000	0.000	0.000	0.000
7	A	-342	LEU	0	-0.001	0.004	11.433	-1.799	-1.799	0.000	0.000	0.000	0.000
8	A	-341	VAL	0	-0.028	-0.007	8.562	2.099	2.099	0.000	0.000	0.000	0.000
9	A	-340	ILE	0	0.009	0.003	11.145	-0.754	-0.754	0.000	0.000	0.000	0.000
10	A	-339	TRP	0	-0.064	-0.045	9.389	0.622	0.622	0.000	0.000	0.000	0.000
11	A	-338	ILE	0	0.041	0.014	14.551	0.837	0.837	0.000	0.000	0.000	0.000
12	A	-337	ASN	0	0.018	-0.006	18.290	-1.158	-1.158	0.000	0.000	0.000	0.000
13	A	-336	GLY	0	-0.018	-0.016	20.697	0.427	0.427	0.000	0.000	0.000	0.000
14	A	-335	ASP	-1	-0.819	-0.898	22.377	-22.508	-22.508	0.000	0.000	0.000	0.000
15	A	-334	LYS	1	0.843	0.937	23.364	23.445	23.445	0.000	0.000	0.000	0.000
16	A	-333	GLY	0	0.024	0.022	25.073	-0.204	-0.204	0.000	0.000	0.000	0.000
17	A	-332	TYR	0	0.016	-0.014	20.888	-0.713	-0.713	0.000	0.000	0.000	0.000
18	A	-331	ASN	0	-0.031	-0.018	22.275	-1.566	-1.566	0.000	0.000	0.000	0.000
19	A	-330	GLY	0	0.071	0.038	24.639	-0.179	-0.179	0.000	0.000	0.000	0.000
20	A	-329	LEU	0	-0.013	-0.011	19.200	-0.173	-0.173	0.000	0.000	0.000	0.000
21	A	-328	ALA	0	-0.013	-0.012	20.866	-0.907	-0.907	0.000	0.000	0.000	0.000
22	A	-327	GLU	-1	-0.983	-0.982	21.850	-21.714	-21.714	0.000	0.000	0.000	0.000
23	A	-326	VAL	0	0.008	0.009	22.965	0.059	0.059	0.000	0.000	0.000	0.000
24	A	-325	GLY	0	0.016	0.000	20.116	-0.409	-0.409	0.000	0.000	0.000	0.000
25	A	-324	LYS	1	0.954	0.969	20.792	22.805	22.805	0.000	0.000	0.000	0.000
26	A	-323	LYS	1	0.803	0.883	23.087	22.076	22.076	0.000	0.000	0.000	0.000
27	A	-322	PHE	0	0.074	0.040	17.611	0.287	0.287	0.000	0.000	0.000	0.000
28	A	-321	GLU	-1	-0.872	-0.926	19.178	-31.419	-31.419	0.000	0.000	0.000	0.000
29	A	-320	LYS	1	0.819	0.896	21.106	21.901	21.901	0.000	0.000	0.000	0.000
30	A	-319	ASP	-1	-0.773	-0.839	23.666	-21.391	-21.391	0.000	0.000	0.000	0.000
31	A	-318	THR	0	-0.011	-0.019	20.244	-0.261	-0.261	0.000	0.000	0.000	0.000
32	A	-317	GLY	0	-0.054	-0.015	20.359	-0.459	-0.459	0.000	0.000	0.000	0.000
33	A	-316	ILE	0	-0.056	-0.017	14.670	-1.711	-1.711	0.000	0.000	0.000	0.000
34	A	-315	LYS	1	0.939	0.966	14.706	35.866	35.866	0.000	0.000	0.000	0.000
35	A	-314	VAL	0	0.002	0.021	14.694	-2.747	-2.747	0.000	0.000	0.000	0.000
36	A	-313	THR	0	-0.032	-0.010	12.739	2.509	2.509	0.000	0.000	0.000	0.000
37	A	-312	VAL	0	0.011	0.004	14.295	-2.090	-2.090	0.000	0.000	0.000	0.000
38	A	-311	GLU	-1	-0.896	-0.940	11.466	-44.130	-44.130	0.000	0.000	0.000	0.000
39	A	-310	HIS	1	0.904	0.946	15.646	28.643	28.643	0.000	0.000	0.000	0.000
40	A	-309	PRO	0	-0.025	-0.011	12.999	1.397	1.397	0.000	0.000	0.000	0.000
41	A	-308	ASP	-1	-0.879	-0.937	15.854	-27.882	-27.882	0.000	0.000	0.000	0.000
42	A	-307	LYS	1	0.929	0.959	16.985	24.623	24.623	0.000	0.000	0.000	0.000
43	A	-306	LEU	0	0.035	0.037	14.572	-1.274	-1.274	0.000	0.000	0.000	0.000
44	A	-305	GLU	-1	-0.837	-0.929	15.533	-29.566	-29.566	0.000	0.000	0.000	0.000
45	A	-304	GLU	-1	-0.915	-0.947	17.484	-26.682	-26.682	0.000	0.000	0.000	0.000
46	A	-303	LYS	1	0.932	0.963	11.543	38.524	38.524	0.000	0.000	0.000	0.000
47	A	-302	PHE	0	0.026	0.011	10.173	-3.467	-3.467	0.000	0.000	0.000	0.000
48	A	-301	PRO	0	0.010	-0.006	10.617	-3.727	-3.727	0.000	0.000	0.000	0.000
49	A	-300	GLN	0	-0.047	-0.019	11.413	-2.760	-2.760	0.000	0.000	0.000	0.000
50	A	-299	VAL	0	0.018	0.019	6.704	-1.423	-1.423	0.000	0.000	0.000	0.000
51	A	-298	ALA	0	-0.007	0.003	6.383	-8.048	-8.048	0.000	0.000	0.000	0.000
52	A	-297	ALA	0	0.010	0.005	7.556	-3.311	-3.311	0.000	0.000	0.000	0.000
53	A	-296	THR	0	-0.051	-0.019	5.280	3.424	3.424	0.000	0.000	0.000	0.000
57	A	-292	PRO	0	0.006	0.012	5.789	-7.145	-7.145	0.000	0.000	0.000	0.000
58	A	-291	ASP	-1	-0.740	-0.843	8.525	-62.247	-62.247	0.000	0.000	0.000	0.000
59	A	-290	ILE	0	-0.017	-0.004	9.759	2.302	2.302	0.000	0.000	0.000	0.000
60	A	-289	ILE	0	-0.015	0.000	13.053	-0.878	-0.878	0.000	0.000	0.000	0.000
61	A	-288	PHE	0	0.015	0.001	14.663	1.359	1.359	0.000	0.000	0.000	0.000
62	A	-287	TRP	0	-0.021	-0.011	18.434	-0.540	-0.540	0.000	0.000	0.000	0.000
63	A	-286	ALA	0	0.069	0.044	20.671	0.382	0.382	0.000	0.000	0.000	0.000
64	A	-285	HIS	0	-0.010	-0.027	22.566	-1.315	-1.315	0.000	0.000	0.000	0.000
65	A	-284	ASP	-1	-0.818	-0.926	23.644	-24.034	-24.034	0.000	0.000	0.000	0.000
66	A	-283	ARG	1	0.932	0.971	19.578	26.005	26.005	0.000	0.000	0.000	0.000
67	A	-282	PHE	0	-0.015	0.006	17.350	-1.233	-1.233	0.000	0.000	0.000	0.000
68	A	-281	GLY	0	0.075	0.027	19.435	-1.080	-1.080	0.000	0.000	0.000	0.000
69	A	-280	GLY	0	0.012	0.009	20.438	-0.205	-0.205	0.000	0.000	0.000	0.000
70	A	-279	TYR	0	-0.033	-0.033	15.270	-1.091	-1.091	0.000	0.000	0.000	0.000
71	A	-278	ALA	0	0.003	0.010	15.984	-1.655	-1.655	0.000	0.000	0.000	0.000
72	A	-277	GLN	0	-0.049	-0.029	18.222	-0.158	-0.158	0.000	0.000	0.000	0.000
73	A	-276	SER	0	-0.054	-0.029	15.297	0.146	0.146	0.000	0.000	0.000	0.000
74	A	-275	GLY	0	-0.017	0.000	14.597	-2.009	-2.009	0.000	0.000	0.000	0.000
75	A	-274	LEU	0	-0.020	-0.014	10.642	-2.353	-2.353	0.000	0.000	0.000	0.000
76	A	-273	LEU	0	-0.036	-0.006	11.757	-2.266	-2.266	0.000	0.000	0.000	0.000
77	A	-272	ALA	0	-0.011	-0.006	13.751	0.223	0.223	0.000	0.000	0.000	0.000
78	A	-271	GLU	-1	-0.888	-0.925	15.322	-25.478	-25.478	0.000	0.000	0.000	0.000
79	A	-270	ILE	0	-0.041	-0.011	18.258	-0.875	-0.875	0.000	0.000	0.000	0.000
80	A	-269	THR	0	-0.010	-0.016	20.025	1.234	1.234	0.000	0.000	0.000	0.000
81	A	-268	PRO	0	0.022	0.043	22.349	0.360	0.360	0.000	0.000	0.000	0.000
82	A	-267	ASP	-1	-0.829	-0.920	25.032	-20.735	-20.735	0.000	0.000	0.000	0.000
83	A	-266	LYS	1	0.828	0.871	28.025	17.384	17.384	0.000	0.000	0.000	0.000
84	A	-265	ALA	0	-0.003	0.002	31.403	0.467	0.467	0.000	0.000	0.000	0.000
85	A	-264	PHE	0	0.013	0.001	26.668	0.321	0.321	0.000	0.000	0.000	0.000
86	A	-263	GLN	0	-0.026	-0.023	27.834	0.601	0.601	0.000	0.000	0.000	0.000
87	A	-262	ASP	-1	-0.811	-0.874	30.410	-17.194	-17.194	0.000	0.000	0.000	0.000
88	A	-261	LYS	1	0.905	0.974	29.664	20.925	20.925	0.000	0.000	0.000	0.000
89	A	-260	LEU	0	0.043	0.034	27.335	0.203	0.203	0.000	0.000	0.000	0.000
90	A	-259	TYR	0	0.004	0.006	32.084	0.733	0.733	0.000	0.000	0.000	0.000
91	A	-258	PRO	0	-0.017	-0.008	32.421	-0.501	-0.501	0.000	0.000	0.000	0.000
92	A	-257	PHE	0	0.059	0.027	32.289	-0.469	-0.469	0.000	0.000	0.000	0.000
93	A	-256	THR	0	-0.037	-0.026	29.124	-0.543	-0.543	0.000	0.000	0.000	0.000
94	A	-255	TRP	0	0.032	-0.015	24.820	-1.160	-1.160	0.000	0.000	0.000	0.000
95	A	-254	ASP	-1	-0.869	-0.927	28.056	-19.021	-19.021	0.000	0.000	0.000	0.000
96	A	-253	ALA	0	0.003	0.016	28.113	-0.353	-0.353	0.000	0.000	0.000	0.000
97	A	-252	VAL	0	-0.001	0.014	23.391	-0.565	-0.565	0.000	0.000	0.000	0.000
98	A	-251	ARG	1	0.833	0.912	23.987	19.293	19.293	0.000	0.000	0.000	0.000
99	A	-250	TYR	0	0.029	0.016	22.377	0.801	0.801	0.000	0.000	0.000	0.000
100	A	-249	ASN	0	-0.025	-0.023	24.868	0.173	0.173	0.000	0.000	0.000	0.000
101	A	-248	GLY	0	-0.005	0.004	26.784	-0.081	-0.081	0.000	0.000	0.000	0.000
102	A	-247	LYS	1	0.861	0.922	22.893	25.304	25.304	0.000	0.000	0.000	0.000
103	A	-246	LEU	0	0.020	0.018	23.737	0.232	0.232	0.000	0.000	0.000	0.000
104	A	-245	ILE	0	-0.010	-0.012	19.293	-1.045	-1.045	0.000	0.000	0.000	0.000
105	A	-244	ALA	0	-0.006	-0.006	18.706	-1.574	-1.574	0.000	0.000	0.000	0.000
106	A	-243	TYR	0	-0.024	-0.050	19.144	0.791	0.791	0.000	0.000	0.000	0.000
107	A	-242	PRO	0	-0.001	0.003	22.504	-0.452	-0.452	0.000	0.000	0.000	0.000
108	A	-241	ILE	0	-0.018	-0.005	22.252	0.047	0.047	0.000	0.000	0.000	0.000
109	A	-240	ALA	0	-0.005	0.003	26.126	0.753	0.753	0.000	0.000	0.000	0.000
110	A	-239	VAL	0	-0.034	-0.011	28.522	-0.453	-0.453	0.000	0.000	0.000	0.000
111	A	-238	GLU	-1	-0.870	-0.949	26.957	-21.613	-21.613	0.000	0.000	0.000	0.000
112	A	-237	ALA	0	0.019	-0.006	31.165	0.032	0.032	0.000	0.000	0.000	0.000
113	A	-236	LEU	0	-0.013	0.010	32.967	0.126	0.126	0.000	0.000	0.000	0.000
114	A	-235	SER	0	0.013	0.000	35.710	0.440	0.440	0.000	0.000	0.000	0.000
115	A	-234	LEU	0	-0.013	-0.007	39.111	-0.197	-0.197	0.000	0.000	0.000	0.000
116	A	-233	ILE	0	-0.029	-0.009	37.475	0.139	0.139	0.000	0.000	0.000	0.000
117	A	-232	TYR	0	-0.002	-0.001	41.990	-0.011	-0.011	0.000	0.000	0.000	0.000
118	A	-231	ASN	0	0.068	0.024	45.348	0.179	0.179	0.000	0.000	0.000	0.000
119	A	-230	LYS	1	0.901	0.938	47.052	13.118	13.118	0.000	0.000	0.000	0.000
120	A	-229	ASP	-1	-0.913	-0.960	49.592	-12.105	-12.105	0.000	0.000	0.000	0.000
121	A	-228	LEU	0	-0.086	-0.041	47.869	0.248	0.248	0.000	0.000	0.000	0.000
122	A	-227	LEU	0	-0.035	-0.014	48.852	0.181	0.181	0.000	0.000	0.000	0.000
123	A	-226	PRO	0	0.012	0.015	51.373	-0.154	-0.154	0.000	0.000	0.000	0.000
124	A	-225	ASN	0	-0.032	-0.025	52.859	-0.148	-0.148	0.000	0.000	0.000	0.000
125	A	-224	PRO	0	0.010	0.016	48.447	0.021	0.021	0.000	0.000	0.000	0.000
126	A	-223	PRO	0	0.003	0.010	48.516	0.176	0.176	0.000	0.000	0.000	0.000
127	A	-222	LYS	1	0.948	0.962	49.562	11.689	11.689	0.000	0.000	0.000	0.000
128	A	-221	THR	0	-0.082	-0.026	50.364	-0.088	-0.088	0.000	0.000	0.000	0.000
129	A	-220	TRP	0	0.068	0.008	41.681	-0.052	-0.052	0.000	0.000	0.000	0.000
130	A	-219	GLU	-1	-0.802	-0.916	48.747	-12.129	-12.129	0.000	0.000	0.000	0.000
131	A	-218	GLU	-1	-0.839	-0.899	52.122	-11.445	-11.445	0.000	0.000	0.000	0.000
132	A	-217	ILE	0	0.015	0.012	46.811	0.101	0.101	0.000	0.000	0.000	0.000
133	A	-216	PRO	0	0.001	-0.009	50.137	0.036	0.036	0.000	0.000	0.000	0.000
134	A	-215	ALA	0	-0.066	-0.024	52.023	0.157	0.157	0.000	0.000	0.000	0.000
135	A	-214	LEU	0	0.050	0.022	50.493	0.093	0.093	0.000	0.000	0.000	0.000
136	A	-213	ASP	-1	-0.739	-0.863	49.169	-12.437	-12.437	0.000	0.000	0.000	0.000
137	A	-212	LYS	1	0.899	0.943	51.721	11.180	11.180	0.000	0.000	0.000	0.000
138	A	-211	GLU	-1	-0.954	-0.960	55.140	-10.732	-10.732	0.000	0.000	0.000	0.000
139	A	-210	LEU	0	-0.039	-0.023	49.982	0.078	0.078	0.000	0.000	0.000	0.000
140	A	-209	LYS	1	0.896	0.946	50.506	12.050	12.050	0.000	0.000	0.000	0.000
141	A	-208	ALA	0	-0.032	-0.007	53.631	0.006	0.006	0.000	0.000	0.000	0.000
142	A	-207	LYS	1	0.912	0.956	54.333	11.189	11.189	0.000	0.000	0.000	0.000
143	A	-206	GLY	0	-0.003	0.010	52.092	-0.105	-0.105	0.000	0.000	0.000	0.000
144	A	-205	LYS	1	0.819	0.914	48.145	12.385	12.385	0.000	0.000	0.000	0.000
145	A	-204	SER	0	0.061	0.033	44.734	0.117	0.117	0.000	0.000	0.000	0.000
146	A	-203	ALA	0	-0.007	-0.018	47.478	-0.049	-0.049	0.000	0.000	0.000	0.000
147	A	-202	LEU	0	-0.035	-0.015	41.853	-0.092	-0.092	0.000	0.000	0.000	0.000
148	A	-201	MET	0	-0.005	0.015	39.795	0.125	0.125	0.000	0.000	0.000	0.000
149	A	-200	PHE	0	0.056	0.010	36.615	-0.060	-0.060	0.000	0.000	0.000	0.000
150	A	-199	ASN	0	0.027	0.011	29.850	0.264	0.264	0.000	0.000	0.000	0.000
151	A	-198	LEU	0	-0.006	-0.008	34.293	0.028	0.028	0.000	0.000	0.000	0.000
152	A	-197	GLN	0	-0.043	-0.022	30.422	-0.245	-0.245	0.000	0.000	0.000	0.000
153	A	-196	GLU	-1	-0.895	-0.953	26.676	-22.230	-22.230	0.000	0.000	0.000	0.000
154	A	-195	PRO	0	-0.026	-0.007	29.355	0.570	0.570	0.000	0.000	0.000	0.000
155	A	-194	TYR	0	-0.043	-0.021	29.572	0.503	0.503	0.000	0.000	0.000	0.000
156	A	-193	PHE	0	0.025	-0.008	29.902	0.317	0.317	0.000	0.000	0.000	0.000
157	A	-192	THR	0	-0.015	-0.004	34.579	0.433	0.433	0.000	0.000	0.000	0.000
158	A	-191	TRP	0	0.037	0.018	34.653	0.446	0.446	0.000	0.000	0.000	0.000
159	A	-190	PRO	0	-0.003	0.001	36.083	0.340	0.340	0.000	0.000	0.000	0.000
160	A	-189	LEU	0	-0.015	0.006	38.994	0.358	0.358	0.000	0.000	0.000	0.000
161	A	-188	ILE	0	-0.043	-0.013	37.509	0.318	0.318	0.000	0.000	0.000	0.000
162	A	-187	ALA	0	0.059	0.019	38.770	0.233	0.233	0.000	0.000	0.000	0.000
163	A	-186	ALA	0	-0.028	0.011	40.874	0.209	0.209	0.000	0.000	0.000	0.000
164	A	-185	ASP	-1	-0.860	-0.932	44.157	-12.300	-12.300	0.000	0.000	0.000	0.000
165	A	-184	GLY	0	0.019	0.008	44.561	0.210	0.210	0.000	0.000	0.000	0.000
166	A	-183	GLY	0	-0.015	0.025	40.923	-0.083	-0.083	0.000	0.000	0.000	0.000
167	A	-182	TYR	0	-0.089	-0.070	38.244	0.053	0.053	0.000	0.000	0.000	0.000
168	A	-181	ALA	0	0.012	0.008	32.948	-0.035	-0.035	0.000	0.000	0.000	0.000
169	A	-180	PHE	0	0.000	-0.014	30.116	-0.017	-0.017	0.000	0.000	0.000	0.000
170	A	-179	LYS	1	0.867	0.954	35.504	14.165	14.165	0.000	0.000	0.000	0.000
171	A	-178	TYR	0	-0.020	-0.021	35.038	-0.272	-0.272	0.000	0.000	0.000	0.000
172	A	-177	GLU	-1	-0.818	-0.906	38.487	-13.747	-13.747	0.000	0.000	0.000	0.000
173	A	-176	ASN	0	-0.052	-0.042	39.557	-0.217	-0.217	0.000	0.000	0.000	0.000
174	A	-175	GLY	0	0.020	0.018	38.506	-0.097	-0.097	0.000	0.000	0.000	0.000
175	A	-174	LYS	1	0.848	0.921	34.812	16.515	16.515	0.000	0.000	0.000	0.000
176	A	-173	TYR	0	0.094	0.042	31.940	0.166	0.166	0.000	0.000	0.000	0.000
177	A	-172	ASP	-1	-0.905	-0.950	34.953	-16.443	-16.443	0.000	0.000	0.000	0.000
178	A	-171	ILE	0	-0.039	-0.025	30.542	0.026	0.026	0.000	0.000	0.000	0.000
179	A	-170	LYS	1	0.915	0.956	33.025	17.788	17.788	0.000	0.000	0.000	0.000
180	A	-169	ASP	-1	-0.826	-0.872	36.819	-14.477	-14.477	0.000	0.000	0.000	0.000
181	A	-168	VAL	0	0.059	0.016	34.862	-0.280	-0.280	0.000	0.000	0.000	0.000
182	A	-167	GLY	0	-0.019	0.000	37.818	0.378	0.378	0.000	0.000	0.000	0.000
183	A	-166	VAL	0	-0.014	-0.021	35.371	0.138	0.138	0.000	0.000	0.000	0.000
184	A	-165	ASP	-1	-0.817	-0.913	38.831	-14.162	-14.162	0.000	0.000	0.000	0.000
185	A	-164	ASN	0	-0.028	-0.011	42.025	0.503	0.503	0.000	0.000	0.000	0.000
186	A	-163	ALA	0	0.015	-0.016	44.504	-0.049	-0.049	0.000	0.000	0.000	0.000
187	A	-162	GLY	0	0.039	0.032	45.614	0.113	0.113	0.000	0.000	0.000	0.000
188	A	-161	ALA	0	0.049	0.017	40.796	-0.026	-0.026	0.000	0.000	0.000	0.000
189	A	-160	LYS	1	0.833	0.919	42.680	13.477	13.477	0.000	0.000	0.000	0.000
190	A	-159	ALA	0	-0.034	0.001	44.939	0.092	0.092	0.000	0.000	0.000	0.000
191	A	-158	GLY	0	0.050	0.019	43.675	0.110	0.110	0.000	0.000	0.000	0.000
192	A	-157	LEU	0	0.005	-0.003	39.605	-0.065	-0.065	0.000	0.000	0.000	0.000
193	A	-156	THR	0	-0.020	-0.027	42.763	0.051	0.051	0.000	0.000	0.000	0.000
194	A	-155	PHE	0	-0.016	-0.003	46.240	0.141	0.141	0.000	0.000	0.000	0.000
195	A	-154	LEU	0	0.011	0.006	39.065	0.055	0.055	0.000	0.000	0.000	0.000
196	A	-153	VAL	0	0.026	0.008	42.601	0.023	0.023	0.000	0.000	0.000	0.000
197	A	-152	ASP	-1	-0.827	-0.915	44.457	-12.337	-12.337	0.000	0.000	0.000	0.000
198	A	-151	LEU	0	-0.014	-0.007	44.961	0.270	0.270	0.000	0.000	0.000	0.000
199	A	-150	ILE	0	0.003	0.017	40.897	0.070	0.070	0.000	0.000	0.000	0.000
200	A	-149	LYS	1	0.851	0.926	45.215	12.851	12.851	0.000	0.000	0.000	0.000
201	A	-148	ASN	0	-0.116	-0.067	48.283	0.409	0.409	0.000	0.000	0.000	0.000
202	A	-147	LYS	1	0.892	0.951	47.320	12.330	12.330	0.000	0.000	0.000	0.000
203	A	-146	HIS	0	-0.072	-0.048	47.509	0.304	0.304	0.000	0.000	0.000	0.000
204	A	-145	MET	0	-0.010	0.012	41.754	-0.210	-0.210	0.000	0.000	0.000	0.000
205	A	-144	ASN	0	-0.012	-0.007	39.741	-0.046	-0.046	0.000	0.000	0.000	0.000
206	A	-143	ALA	0	0.052	0.027	38.996	-0.251	-0.251	0.000	0.000	0.000	0.000
207	A	-142	ASP	-1	-0.884	-0.934	35.889	-16.183	-16.183	0.000	0.000	0.000	0.000
208	A	-141	THR	0	-0.064	-0.037	35.110	-0.288	-0.288	0.000	0.000	0.000	0.000
209	A	-140	ASP	-1	-0.764	-0.860	30.873	-18.741	-18.741	0.000	0.000	0.000	0.000
210	A	-139	TYR	0	-0.019	-0.015	29.945	0.435	0.435	0.000	0.000	0.000	0.000
211	A	-138	SER	0	-0.042	-0.030	30.447	0.357	0.357	0.000	0.000	0.000	0.000
212	A	-137	ILE	0	-0.009	-0.003	32.458	0.513	0.513	0.000	0.000	0.000	0.000
213	A	-136	ALA	0	-0.003	0.005	35.480	0.498	0.498	0.000	0.000	0.000	0.000
214	A	-135	GLU	-1	-0.877	-0.926	32.168	-18.133	-18.133	0.000	0.000	0.000	0.000
215	A	-134	ALA	0	-0.027	-0.017	35.901	0.369	0.369	0.000	0.000	0.000	0.000
216	A	-133	ALA	0	0.026	0.014	37.437	0.403	0.403	0.000	0.000	0.000	0.000
217	A	-132	PHE	0	-0.022	-0.006	39.402	0.465	0.465	0.000	0.000	0.000	0.000
218	A	-131	ASN	0	0.033	0.002	36.293	0.580	0.580	0.000	0.000	0.000	0.000
219	A	-130	LYS	1	0.857	0.939	39.891	14.740	14.740	0.000	0.000	0.000	0.000
220	A	-129	GLY	0	0.007	0.017	42.686	0.343	0.343	0.000	0.000	0.000	0.000
221	A	-128	GLU	-1	-0.940	-0.979	42.359	-13.789	-13.789	0.000	0.000	0.000	0.000
222	A	-127	THR	0	-0.013	-0.019	41.884	0.220	0.220	0.000	0.000	0.000	0.000
223	A	-126	ALA	0	0.000	0.000	45.071	-0.057	-0.057	0.000	0.000	0.000	0.000
224	A	-125	MET	0	-0.033	-0.023	44.139	0.061	0.061	0.000	0.000	0.000	0.000
225	A	-124	THR	0	-0.008	-0.019	38.361	-0.294	-0.294	0.000	0.000	0.000	0.000
226	A	-123	ILE	0	0.021	0.011	36.785	0.209	0.209	0.000	0.000	0.000	0.000
227	A	-122	ASN	0	0.027	-0.008	32.857	-0.764	-0.764	0.000	0.000	0.000	0.000
228	A	-121	GLY	0	0.049	0.025	32.309	0.404	0.404	0.000	0.000	0.000	0.000
229	A	-120	PRO	0	-0.004	-0.013	32.039	0.077	0.077	0.000	0.000	0.000	0.000
230	A	-119	TRP	0	0.064	0.034	29.171	0.175	0.175	0.000	0.000	0.000	0.000
231	A	-118	ALA	0	-0.007	-0.006	31.132	-0.005	-0.005	0.000	0.000	0.000	0.000
232	A	-117	TRP	0	0.021	0.005	33.430	0.228	0.228	0.000	0.000	0.000	0.000
233	A	-116	SER	0	0.054	0.042	32.527	0.446	0.446	0.000	0.000	0.000	0.000
234	A	-115	ASN	0	-0.027	-0.029	31.219	0.150	0.150	0.000	0.000	0.000	0.000
235	A	-114	ILE	0	-0.019	0.006	35.282	0.388	0.388	0.000	0.000	0.000	0.000
236	A	-113	ASP	-1	-0.785	-0.859	38.326	-15.186	-15.186	0.000	0.000	0.000	0.000
237	A	-112	THR	0	-0.078	-0.049	36.422	0.333	0.333	0.000	0.000	0.000	0.000
238	A	-111	SER	0	-0.085	-0.059	38.926	0.318	0.318	0.000	0.000	0.000	0.000
239	A	-110	LYS	1	0.890	0.943	40.904	14.268	14.268	0.000	0.000	0.000	0.000
240	A	-109	VAL	0	0.023	0.033	43.135	0.406	0.406	0.000	0.000	0.000	0.000
241	A	-108	ASN	0	-0.002	0.004	44.752	-0.311	-0.311	0.000	0.000	0.000	0.000
242	A	-107	TYR	0	-0.031	-0.043	40.331	0.166	0.166	0.000	0.000	0.000	0.000
243	A	-106	GLY	0	-0.050	-0.015	45.264	0.186	0.186	0.000	0.000	0.000	0.000
244	A	-105	VAL	0	0.014	0.003	39.873	-0.186	-0.186	0.000	0.000	0.000	0.000
245	A	-104	THR	0	-0.030	-0.021	43.009	0.265	0.265	0.000	0.000	0.000	0.000
246	A	-103	VAL	0	0.007	0.016	42.843	-0.371	-0.371	0.000	0.000	0.000	0.000
247	A	-102	LEU	0	0.004	-0.010	38.774	0.184	0.184	0.000	0.000	0.000	0.000
248	A	-101	PRO	0	-0.022	0.002	43.458	0.168	0.168	0.000	0.000	0.000	0.000
249	A	-100	THR	0	-0.033	-0.019	45.807	-0.151	-0.151	0.000	0.000	0.000	0.000
250	A	-99	PHE	0	0.006	-0.006	46.586	0.073	0.073	0.000	0.000	0.000	0.000
251	A	-98	LYS	1	0.824	0.889	48.663	12.204	12.204	0.000	0.000	0.000	0.000
252	A	-97	GLY	0	-0.033	-0.008	51.672	0.136	0.136	0.000	0.000	0.000	0.000
253	A	-96	GLN	0	-0.022	0.006	47.415	0.207	0.207	0.000	0.000	0.000	0.000
254	A	-95	PRO	0	-0.026	-0.019	44.974	-0.017	-0.017	0.000	0.000	0.000	0.000
255	A	-94	SER	0	0.017	-0.012	41.568	-0.178	-0.178	0.000	0.000	0.000	0.000
256	A	-93	LYS	1	0.857	0.926	39.923	14.768	14.768	0.000	0.000	0.000	0.000
257	A	-92	PRO	0	-0.009	-0.001	35.841	-0.298	-0.298	0.000	0.000	0.000	0.000
258	A	-91	PHE	0	0.015	0.001	31.729	-0.011	-0.011	0.000	0.000	0.000	0.000
259	A	-90	VAL	0	-0.023	-0.009	32.445	-0.278	-0.278	0.000	0.000	0.000	0.000
260	A	-89	GLY	0	0.026	0.002	28.372	-0.325	-0.325	0.000	0.000	0.000	0.000
261	A	-88	VAL	0	-0.010	-0.010	26.626	0.560	0.560	0.000	0.000	0.000	0.000
262	A	-87	LEU	0	-0.001	0.026	22.800	-1.050	-1.050	0.000	0.000	0.000	0.000
263	A	-86	SER	0	-0.001	-0.034	22.096	0.626	0.626	0.000	0.000	0.000	0.000
264	A	-85	ALA	0	0.016	0.007	18.401	-0.884	-0.884	0.000	0.000	0.000	0.000
265	A	-84	GLY	0	0.013	0.012	16.370	0.707	0.707	0.000	0.000	0.000	0.000
266	A	-83	ILE	0	0.003	0.000	12.826	-1.647	-1.647	0.000	0.000	0.000	0.000
267	A	-82	ASN	0	-0.008	-0.011	6.603	2.034	2.034	0.000	0.000	0.000	0.000
268	A	-81	ALA	0	0.022	0.006	10.321	-1.393	-1.393	0.000	0.000	0.000	0.000
269	A	-80	ALA	0	-0.019	-0.015	5.276	-0.446	-0.446	0.000	0.000	0.000	0.000
270	A	-79	SER	0	-0.048	-0.036	5.552	-7.411	-7.411	0.000	0.000	0.000	0.000
271	A	-78	PRO	0	0.008	0.014	5.549	5.441	5.441	0.000	0.000	0.000	0.000
272	A	-77	ASN	0	0.013	-0.011	8.459	7.386	7.386	0.000	0.000	0.000	0.000
273	A	-76	LYS	1	0.817	0.892	10.065	53.668	53.668	0.000	0.000	0.000	0.000
274	A	-75	GLU	-1	-0.854	-0.929	13.290	-28.779	-28.779	0.000	0.000	0.000	0.000
275	A	-74	LEU	0	0.013	0.006	13.013	1.537	1.537	0.000	0.000	0.000	0.000
276	A	-73	ALA	0	0.014	-0.003	13.712	1.381	1.381	0.000	0.000	0.000	0.000
277	A	-72	LYS	1	0.889	0.950	15.754	28.441	28.441	0.000	0.000	0.000	0.000
278	A	-71	GLU	-1	-0.896	-0.931	18.860	-26.198	-26.198	0.000	0.000	0.000	0.000
279	A	-70	PHE	0	-0.002	-0.017	18.148	1.254	1.254	0.000	0.000	0.000	0.000
280	A	-69	LEU	0	-0.024	-0.018	17.635	1.319	1.319	0.000	0.000	0.000	0.000
281	A	-68	GLU	-1	-0.820	-0.904	21.269	-24.348	-24.348	0.000	0.000	0.000	0.000
282	A	-67	ASN	0	-0.061	-0.040	23.555	1.704	1.704	0.000	0.000	0.000	0.000
283	A	-66	TYR	0	-0.067	-0.050	23.052	0.488	0.488	0.000	0.000	0.000	0.000
284	A	-65	LEU	0	-0.031	-0.006	21.385	0.733	0.733	0.000	0.000	0.000	0.000
285	A	-64	LEU	0	-0.046	-0.022	24.415	0.878	0.878	0.000	0.000	0.000	0.000
286	A	-63	THR	0	-0.001	-0.013	26.827	0.727	0.727	0.000	0.000	0.000	0.000
287	A	-62	ASP	-1	-0.798	-0.877	29.751	-18.018	-18.018	0.000	0.000	0.000	0.000
288	A	-61	GLU	-1	-0.896	-0.955	30.753	-18.865	-18.865	0.000	0.000	0.000	0.000
289	A	-60	GLY	0	-0.029	-0.005	27.245	-0.285	-0.285	0.000	0.000	0.000	0.000
290	A	-59	LEU	0	-0.011	-0.023	26.688	-0.510	-0.510	0.000	0.000	0.000	0.000
291	A	-58	GLU	-1	-0.872	-0.927	28.893	-17.512	-17.512	0.000	0.000	0.000	0.000
292	A	-57	ALA	0	0.000	-0.006	27.657	0.192	0.192	0.000	0.000	0.000	0.000
293	A	-56	VAL	0	-0.051	-0.028	24.767	-0.074	-0.074	0.000	0.000	0.000	0.000
294	A	-55	ASN	0	0.023	0.009	27.463	0.051	0.051	0.000	0.000	0.000	0.000
295	A	-54	LYS	1	0.825	0.917	30.904	18.191	18.191	0.000	0.000	0.000	0.000
296	A	-53	ASP	-1	-0.852	-0.897	26.728	-21.770	-21.770	0.000	0.000	0.000	0.000
297	A	-52	LYS	1	0.814	0.900	27.916	20.176	20.176	0.000	0.000	0.000	0.000
298	A	-51	PRO	0	-0.020	0.003	29.812	-0.368	-0.368	0.000	0.000	0.000	0.000
299	A	-50	LEU	0	0.024	-0.004	26.981	-0.331	-0.331	0.000	0.000	0.000	0.000
300	A	-49	GLY	0	-0.023	-0.002	30.455	-0.185	-0.185	0.000	0.000	0.000	0.000
301	A	-48	ALA	0	0.005	0.011	33.314	0.050	0.050	0.000	0.000	0.000	0.000
302	A	-47	VAL	0	-0.006	-0.010	30.832	-0.718	-0.718	0.000	0.000	0.000	0.000
303	A	-46	ALA	0	-0.008	-0.018	28.803	0.464	0.464	0.000	0.000	0.000	0.000
304	A	-45	LEU	0	-0.026	-0.010	30.306	0.222	0.222	0.000	0.000	0.000	0.000
305	A	-44	LYS	1	0.846	0.910	32.045	17.437	17.437	0.000	0.000	0.000	0.000
306	A	-43	SER	0	0.014	-0.017	34.788	0.205	0.205	0.000	0.000	0.000	0.000
307	A	-42	TYR	0	0.076	0.035	32.405	0.120	0.120	0.000	0.000	0.000	0.000
308	A	-41	GLU	-1	-0.854	-0.934	35.388	-16.431	-16.431	0.000	0.000	0.000	0.000
309	A	-40	GLU	-1	-1.003	-1.009	36.841	-14.887	-14.887	0.000	0.000	0.000	0.000
310	A	-39	GLU	-1	-0.998	-0.987	38.322	-15.666	-15.666	0.000	0.000	0.000	0.000
311	A	-38	LEU	0	-0.005	-0.010	34.297	0.361	0.361	0.000	0.000	0.000	0.000
312	A	-37	ALA	0	-0.013	0.002	38.898	0.255	0.255	0.000	0.000	0.000	0.000
313	A	-36	LYS	1	0.896	0.950	41.027	14.281	14.281	0.000	0.000	0.000	0.000
314	A	-35	ASP	-1	-0.795	-0.869	39.800	-14.965	-14.965	0.000	0.000	0.000	0.000
315	A	-34	PRO	0	-0.004	-0.013	42.095	-0.095	-0.095	0.000	0.000	0.000	0.000
316	A	-33	ARG	1	0.818	0.890	38.602	15.646	15.646	0.000	0.000	0.000	0.000
317	A	-32	ILE	0	0.020	0.036	36.030	-0.243	-0.243	0.000	0.000	0.000	0.000
318	A	-31	ALA	0	0.026	0.010	39.177	-0.070	-0.070	0.000	0.000	0.000	0.000
319	A	-30	ALA	0	0.010	0.005	41.806	0.031	0.031	0.000	0.000	0.000	0.000
320	A	-29	THR	0	-0.018	-0.017	35.237	-0.188	-0.188	0.000	0.000	0.000	0.000
321	A	-28	MET	0	-0.018	-0.013	35.388	-0.233	-0.233	0.000	0.000	0.000	0.000
322	A	-27	GLU	-1	-0.949	-0.972	39.673	-13.117	-13.117	0.000	0.000	0.000	0.000
323	A	-26	ASN	0	-0.016	-0.030	39.107	0.275	0.275	0.000	0.000	0.000	0.000
324	A	-25	ALA	0	-0.018	-0.019	36.705	-0.090	-0.090	0.000	0.000	0.000	0.000
325	A	-24	GLN	0	-0.048	-0.011	38.123	-0.122	-0.122	0.000	0.000	0.000	0.000
326	A	-23	LYS	1	0.894	0.954	41.350	13.547	13.547	0.000	0.000	0.000	0.000
327	A	-22	GLY	0	0.017	0.009	37.932	0.115	0.115	0.000	0.000	0.000	0.000
328	A	-21	GLU	-1	-0.873	-0.918	36.065	-15.598	-15.598	0.000	0.000	0.000	0.000
329	A	-20	ILE	0	-0.026	-0.007	31.090	-0.403	-0.403	0.000	0.000	0.000	0.000
330	A	-19	MET	0	-0.040	0.009	27.308	0.123	0.123	0.000	0.000	0.000	0.000
331	A	-18	PRO	0	0.045	0.025	29.393	-0.224	-0.224	0.000	0.000	0.000	0.000
332	A	-17	ASN	0	-0.029	-0.022	24.651	-0.145	-0.145	0.000	0.000	0.000	0.000
333	A	-16	ILE	0	-0.021	0.000	24.501	-0.912	-0.912	0.000	0.000	0.000	0.000
334	A	-15	PRO	0	0.004	-0.008	22.838	-0.038	-0.038	0.000	0.000	0.000	0.000
335	A	-14	GLN	0	0.037	0.011	24.070	-0.436	-0.436	0.000	0.000	0.000	0.000
336	A	-13	MET	0	0.032	0.032	25.490	0.826	0.826	0.000	0.000	0.000	0.000
337	A	-12	SER	0	-0.037	-0.008	22.284	0.570	0.570	0.000	0.000	0.000	0.000
338	A	-11	ALA	0	0.031	0.022	24.502	0.182	0.182	0.000	0.000	0.000	0.000
339	A	-10	PHE	0	0.054	0.019	27.084	0.622	0.622	0.000	0.000	0.000	0.000
340	A	-9	TRP	0	-0.011	-0.021	25.926	0.862	0.862	0.000	0.000	0.000	0.000
341	A	-8	TYR	0	-0.007	0.002	26.011	0.393	0.393	0.000	0.000	0.000	0.000
342	A	-7	ALA	0	0.006	0.025	27.949	0.478	0.478	0.000	0.000	0.000	0.000
343	A	-6	VAL	0	0.028	0.006	31.506	0.537	0.537	0.000	0.000	0.000	0.000
344	A	-5	ARG	1	0.858	0.925	23.960	23.032	23.032	0.000	0.000	0.000	0.000
345	A	-4	THR	0	-0.045	-0.030	30.482	0.240	0.240	0.000	0.000	0.000	0.000
346	A	-3	ALA	0	0.018	0.011	32.579	0.442	0.442	0.000	0.000	0.000	0.000
347	A	-2	VAL	0	-0.008	-0.008	34.670	0.516	0.516	0.000	0.000	0.000	0.000
348	A	-1	ILE	0	0.028	0.022	31.078	0.405	0.405	0.000	0.000	0.000	0.000
349	A	0	ASN	0	-0.015	0.002	35.254	0.222	0.222	0.000	0.000	0.000	0.000
350	A	1	ALA	0	0.015	0.016	37.464	0.410	0.410	0.000	0.000	0.000	0.000
351	A	2	ALA	0	-0.043	-0.025	38.062	0.404	0.404	0.000	0.000	0.000	0.000
352	A	3	SER	0	-0.068	-0.060	37.719	0.274	0.274	0.000	0.000	0.000	0.000
353	A	4	GLY	0	-0.021	-0.008	39.996	0.195	0.195	0.000	0.000	0.000	0.000
354	A	5	ARG	1	0.871	0.938	34.184	16.984	16.984	0.000	0.000	0.000	0.000
355	A	6	GLN	0	-0.044	-0.018	38.130	-0.235	-0.235	0.000	0.000	0.000	0.000
356	A	7	THR	0	-0.033	-0.042	42.057	0.102	0.102	0.000	0.000	0.000	0.000
357	A	8	VAL	0	0.012	-0.005	42.906	-0.320	-0.320	0.000	0.000	0.000	0.000
358	A	9	ASP	-1	-0.874	-0.950	42.631	-13.407	-13.407	0.000	0.000	0.000	0.000
359	A	10	GLU	-1	-0.874	-0.910	42.029	-14.014	-14.014	0.000	0.000	0.000	0.000
360	A	11	ALA	0	0.014	0.022	38.839	-0.342	-0.342	0.000	0.000	0.000	0.000
361	A	12	LEU	0	-0.010	-0.012	37.963	-0.452	-0.452	0.000	0.000	0.000	0.000
362	A	13	LYS	1	0.981	0.996	38.957	14.234	14.234	0.000	0.000	0.000	0.000
363	A	14	ASP	-1	-0.850	-0.910	36.105	-16.306	-16.306	0.000	0.000	0.000	0.000
364	A	15	ALA	0	-0.028	-0.019	34.501	-0.520	-0.520	0.000	0.000	0.000	0.000
365	A	16	GLN	0	-0.024	-0.025	34.700	-0.663	-0.663	0.000	0.000	0.000	0.000
366	A	17	THR	0	-0.011	-0.011	34.996	-0.243	-0.243	0.000	0.000	0.000	0.000
367	A	18	ASN	0	-0.044	-0.032	31.051	-0.441	-0.441	0.000	0.000	0.000	0.000
368	A	19	ALA	0	-0.029	-0.010	30.638	-0.713	-0.713	0.000	0.000	0.000	0.000
369	A	20	ALA	0	0.013	0.007	31.601	-0.414	-0.414	0.000	0.000	0.000	0.000
370	A	21	ALA	0	-0.105	-0.051	29.812	-0.131	-0.131	0.000	0.000	0.000	0.000
371	A	22	GLU	-1	-0.947	-0.965	31.718	-15.912	-15.912	0.000	0.000	0.000	0.000
372	A	23	PHE	0	-0.076	-0.026	33.281	-0.354	-0.354	0.000	0.000	0.000	0.000
373	A	24	SER	0	0.026	0.010	35.238	0.678	0.678	0.000	0.000	0.000	0.000
374	A	25	LEU	0	0.005	-0.011	37.030	0.097	0.097	0.000	0.000	0.000	0.000
375	A	26	GLN	0	-0.009	-0.014	35.675	0.284	0.284	0.000	0.000	0.000	0.000
376	A	27	ASP	-1	-0.825	-0.902	33.947	-18.118	-18.118	0.000	0.000	0.000	0.000
377	A	28	GLN	0	0.043	0.012	36.221	0.375	0.375	0.000	0.000	0.000	0.000
378	A	29	HIS	0	-0.004	0.010	39.329	0.311	0.311	0.000	0.000	0.000	0.000
379	A	30	CYS	0	-0.085	-0.002	34.646	-0.442	-0.442	0.000	0.000	0.000	0.000
380	A	31	GLU	-1	-0.910	-0.979	34.353	-17.775	-17.775	0.000	0.000	0.000	0.000
381	A	32	SER	0	-0.083	-0.053	37.984	0.243	0.243	0.000	0.000	0.000	0.000
382	A	33	LEU	0	-0.053	-0.030	39.929	0.254	0.254	0.000	0.000	0.000	0.000
383	A	34	SER	0	0.005	-0.021	38.204	0.240	0.240	0.000	0.000	0.000	0.000
384	A	35	LEU	0	-0.042	-0.001	40.156	0.043	0.043	0.000	0.000	0.000	0.000
385	A	36	ALA	0	-0.008	0.001	41.606	0.171	0.171	0.000	0.000	0.000	0.000
386	A	37	SER	0	-0.055	-0.029	42.271	0.334	0.334	0.000	0.000	0.000	0.000
387	A	38	ASN	0	0.013	0.005	39.919	-0.638	-0.638	0.000	0.000	0.000	0.000
388	A	39	ILE	0	0.015	0.014	36.352	0.159	0.159	0.000	0.000	0.000	0.000
389	A	40	SER	0	-0.025	-0.011	37.581	-0.095	-0.095	0.000	0.000	0.000	0.000
390	A	41	GLY	0	0.007	0.001	33.921	-0.072	-0.072	0.000	0.000	0.000	0.000
391	A	42	LEU	0	0.012	0.003	27.337	0.043	0.043	0.000	0.000	0.000	0.000
392	A	43	GLN	0	0.016	0.007	30.167	0.597	0.597	0.000	0.000	0.000	0.000
393	A	44	CYS	0	-0.050	0.037	29.002	-1.603	-1.603	0.000	0.000	0.000	0.000
394	A	45	ASN	0	0.025	-0.007	28.961	0.662	0.662	0.000	0.000	0.000	0.000
395	A	46	ALA	0	0.033	0.024	30.837	-0.045	-0.045	0.000	0.000	0.000	0.000
396	A	47	SER	0	-0.023	-0.011	29.458	-0.717	-0.717	0.000	0.000	0.000	0.000
397	A	48	VAL	0	0.037	0.011	31.464	0.555	0.555	0.000	0.000	0.000	0.000
398	A	49	ASP	-1	-0.755	-0.842	30.322	-18.892	-18.892	0.000	0.000	0.000	0.000
399	A	50	LEU	0	0.008	-0.014	27.092	0.367	0.367	0.000	0.000	0.000	0.000
400	A	51	ILE	0	0.011	0.026	31.493	0.267	0.267	0.000	0.000	0.000	0.000
401	A	52	GLY	0	0.050	0.036	34.479	0.611	0.611	0.000	0.000	0.000	0.000
402	A	53	THR	0	-0.044	-0.028	35.274	0.663	0.663	0.000	0.000	0.000	0.000
403	A	55	TRP	0	-0.003	-0.016	32.402	0.353	0.353	0.000	0.000	0.000	0.000
404	A	56	PRO	0	0.072	0.030	33.710	-0.457	-0.457	0.000	0.000	0.000	0.000
405	A	57	ARG	1	0.910	0.961	31.257	18.461	18.461	0.000	0.000	0.000	0.000
406	A	58	SER	0	0.006	0.007	33.647	0.758	0.758	0.000	0.000	0.000	0.000
407	A	59	PRO	0	0.000	-0.005	33.249	-0.619	-0.619	0.000	0.000	0.000	0.000
408	A	60	ALA	0	0.011	-0.005	29.525	-0.197	-0.197	0.000	0.000	0.000	0.000
409	A	61	GLY	0	-0.075	-0.030	30.576	0.343	0.343	0.000	0.000	0.000	0.000
410	A	62	GLN	0	-0.010	-0.005	31.790	0.704	0.704	0.000	0.000	0.000	0.000
411	A	63	LEU	0	-0.002	0.012	33.378	-0.489	-0.489	0.000	0.000	0.000	0.000
412	A	64	VAL	0	-0.022	-0.010	34.330	0.515	0.515	0.000	0.000	0.000	0.000
413	A	65	VAL	0	0.021	0.008	36.210	-0.232	-0.232	0.000	0.000	0.000	0.000
414	A	66	ARG	1	0.854	0.919	36.939	15.904	15.904	0.000	0.000	0.000	0.000
415	A	67	PRO	0	0.035	0.021	39.692	-0.107	-0.107	0.000	0.000	0.000	0.000
416	A	68	CYS	0	-0.086	-0.012	39.588	-0.053	-0.053	0.000	0.000	0.000	0.000
417	A	69	PRO	0	-0.025	-0.015	37.821	0.382	0.382	0.000	0.000	0.000	0.000
418	A	70	ALA	0	0.013	0.018	41.139	0.009	0.009	0.000	0.000	0.000	0.000
419	A	71	PHE	0	-0.029	-0.032	38.462	-0.103	-0.103	0.000	0.000	0.000	0.000
420	A	72	PHE	0	0.021	0.021	44.065	0.219	0.219	0.000	0.000	0.000	0.000
421	A	73	TYR	0	-0.017	-0.019	45.771	0.163	0.163	0.000	0.000	0.000	0.000
422	A	74	GLY	0	0.012	0.007	43.572	-0.285	-0.285	0.000	0.000	0.000	0.000
423	A	75	VAL	0	-0.054	-0.028	44.031	-0.173	-0.173	0.000	0.000	0.000	0.000
424	A	76	ARG	1	0.860	0.928	38.130	15.667	15.667	0.000	0.000	0.000	0.000
425	A	77	TYR	0	-0.058	-0.030	43.655	0.307	0.307	0.000	0.000	0.000	0.000
426	A	78	ASN	0	-0.004	-0.003	42.968	-0.626	-0.626	0.000	0.000	0.000	0.000
427	A	79	THR	0	-0.001	-0.002	44.300	0.366	0.366	0.000	0.000	0.000	0.000
428	A	80	THR	0	-0.018	-0.024	45.862	-0.111	-0.111	0.000	0.000	0.000	0.000
429	A	81	ASN	0	-0.015	0.011	43.886	0.215	0.215	0.000	0.000	0.000	0.000
430	A	82	ASN	0	-0.007	-0.018	40.810	-0.122	-0.122	0.000	0.000	0.000	0.000
431	A	83	GLY	0	0.058	0.029	37.172	-0.126	-0.126	0.000	0.000	0.000	0.000
432	A	84	TYR	0	-0.112	-0.076	35.916	0.014	0.014	0.000	0.000	0.000	0.000
433	A	85	ARG	1	0.857	0.940	27.067	20.537	20.537	0.000	0.000	0.000	0.000
434	A	86	GLU	-1	-0.804	-0.896	29.333	-19.417	-19.417	0.000	0.000	0.000	0.000
435	A	88	LEU	0	0.020	-0.002	24.034	0.275	0.275	0.000	0.000	0.000	0.000
436	A	89	ALA	0	0.029	-0.005	26.823	0.219	0.219	0.000	0.000	0.000	0.000
437	A	90	ASN	0	-0.015	-0.014	21.396	1.063	1.063	0.000	0.000	0.000	0.000
438	A	91	GLY	0	0.027	0.019	25.024	-0.334	-0.334	0.000	0.000	0.000	0.000
439	A	92	SER	0	-0.014	0.002	22.782	-0.488	-0.488	0.000	0.000	0.000	0.000
440	A	93	TRP	0	0.018	-0.019	25.079	0.398	0.398	0.000	0.000	0.000	0.000
441	A	94	ALA	0	-0.016	-0.001	24.860	-1.104	-1.104	0.000	0.000	0.000	0.000
442	A	95	ALA	0	0.027	0.006	22.795	0.526	0.526	0.000	0.000	0.000	0.000
443	A	96	ARG	1	0.835	0.908	24.944	21.950	21.950	0.000	0.000	0.000	0.000
444	A	97	VAL	0	0.023	0.020	27.645	0.256	0.256	0.000	0.000	0.000	0.000
445	A	98	ASN	0	-0.011	0.015	30.947	0.063	0.063	0.000	0.000	0.000	0.000
446	A	99	TYR	0	0.077	-0.015	33.379	0.509	0.509	0.000	0.000	0.000	0.000
447	A	100	SER	0	-0.028	-0.027	36.498	0.442	0.442	0.000	0.000	0.000	0.000
448	A	101	GLU	-1	-0.820	-0.891	38.422	-14.524	-14.524	0.000	0.000	0.000	0.000
449	A	103	GLN	0	0.035	0.001	41.541	-0.107	-0.107	0.000	0.000	0.000	0.000
450	A	104	GLU	-1	-0.924	-0.946	44.168	-13.136	-13.136	0.000	0.000	0.000	0.000
451	A	105	ILE	0	0.018	0.008	37.957	-0.107	-0.107	0.000	0.000	0.000	0.000
452	A	106	LEU	0	-0.076	-0.035	37.746	-0.364	-0.364	0.000	0.000	0.000	0.000
453	A	107	ASN	0	-0.146	-0.093	40.826	0.185	0.185	0.000	0.000	0.000	0.000
454	A	108	GLU	-2	-1.745	-1.846	40.385	-29.283	-29.283	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:-348:LYS)