FMO DATABASE

FMODB ID: VQ391

Calculation Name: 1IYJ-B-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1IYJ

Chain ID: B

ChEMBL ID:

UniProt ID: O35923

Base Structure: X-ray

Registration Date: 2023-09-24

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	591
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-11384990.281739
FMO2-HF: Nuclear repulsion	11153632.28251
FMO2-HF: Total energy	-231357.999229
FMO2-MP2: Total energy	-232039.364543

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(B:2403:PHE)

Summations of interaction energy for fragment #1(B:2403:PHE)

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.
-56.813	-63.027	60.014	-17.246	-36.553	0.026

Interaction energy analysis for fragmet #1(B:2403:PHE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.079 / q_NPA : 0.033

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	B	2405	GLN	0	0.043	0.027	3.674	-2.837	-1.296	0.016	-0.676	-0.881	0.002
4	B	2406	PHE	0	-0.007	-0.001	5.860	0.265	0.265	0.000	0.000	0.000	0.000
5	B	2407	ASN	0	0.052	0.022	6.735	-0.435	-0.435	0.000	0.000	0.000	0.000
6	B	2408	LYS	1	0.903	0.937	8.798	0.942	0.942	0.000	0.000	0.000	0.000
7	B	2409	ASP	-1	-0.795	-0.894	8.408	-0.192	-0.192	0.000	0.000	0.000	0.000
8	B	2410	LEU	0	0.007	0.028	2.666	-2.028	-0.981	2.841	-0.894	-2.995	0.009
9	B	2411	MET	0	-0.004	-0.001	4.219	-0.800	-0.435	0.005	-0.049	-0.321	0.000
10	B	2412	SER	0	-0.050	-0.016	6.018	0.139	0.139	0.000	0.000	0.000	0.000
11	B	2413	SER	0	0.012	-0.017	7.420	0.099	0.099	0.000	0.000	0.000	0.000
12	B	2414	LEU	0	-0.036	-0.008	2.166	-0.660	-1.069	3.717	-0.718	-2.590	0.001
13	B	2415	GLN	0	-0.016	-0.007	5.978	0.058	0.058	0.000	0.000	0.000	0.000
14	B	2416	ASN	0	0.034	0.020	9.120	0.144	0.144	0.000	0.000	0.000	0.000
15	B	2417	ALA	0	-0.030	-0.015	8.130	0.106	0.106	0.000	0.000	0.000	0.000
16	B	2418	ARG	1	0.736	0.842	5.073	1.993	1.993	0.000	0.000	0.000	0.000
17	B	2419	ASP	-1	-0.785	-0.888	10.723	-0.399	-0.399	0.000	0.000	0.000	0.000
18	B	2420	LEU	0	0.011	0.011	13.621	0.069	0.069	0.000	0.000	0.000	0.000
19	B	2421	GLN	0	-0.086	-0.075	12.133	0.000	0.000	0.000	0.000	0.000	0.000
20	B	2422	ASP	-1	-0.834	-0.917	14.486	-0.349	-0.349	0.000	0.000	0.000	0.000
21	B	2423	ILE	0	-0.020	-0.006	16.581	0.037	0.037	0.000	0.000	0.000	0.000
22	B	2424	ARG	1	0.816	0.911	13.206	0.150	0.150	0.000	0.000	0.000	0.000
23	B	2425	ILE	0	-0.013	-0.009	15.780	0.022	0.022	0.000	0.000	0.000	0.000
24	B	2426	LYS	1	0.881	0.932	19.758	0.183	0.183	0.000	0.000	0.000	0.000
25	B	2427	ASN	0	-0.023	-0.004	22.079	0.021	0.021	0.000	0.000	0.000	0.000
26	B	2428	LYS	1	0.829	0.896	21.200	0.087	0.087	0.000	0.000	0.000	0.000
27	B	2429	GLU	-1	-0.791	-0.872	24.795	-0.142	-0.142	0.000	0.000	0.000	0.000
28	B	2430	ARG	1	0.820	0.890	25.253	0.103	0.103	0.000	0.000	0.000	0.000
29	B	2431	HIS	1	0.842	0.915	26.989	0.062	0.062	0.000	0.000	0.000	0.000
30	B	2432	HIS	0	0.061	0.044	30.402	-0.007	-0.007	0.000	0.000	0.000	0.000
31	B	2433	LEU	0	-0.013	-0.002	25.968	0.006	0.006	0.000	0.000	0.000	0.000
32	B	2434	CYS	0	-0.015	-0.006	30.057	0.000	0.000	0.000	0.000	0.000	0.000
33	B	2435	PRO	0	0.032	0.022	29.756	0.001	0.001	0.000	0.000	0.000	0.000
34	B	2436	GLN	0	0.021	0.013	24.466	0.002	0.002	0.000	0.000	0.000	0.000
35	B	2437	PRO	0	0.001	0.015	26.889	-0.002	-0.002	0.000	0.000	0.000	0.000
36	B	2438	GLY	0	0.013	0.004	24.386	0.007	0.007	0.000	0.000	0.000	0.000
37	B	2439	SER	0	-0.009	-0.019	23.138	0.003	0.003	0.000	0.000	0.000	0.000
38	B	2440	LEU	0	-0.034	-0.018	23.135	0.000	0.000	0.000	0.000	0.000	0.000
39	B	2441	TYR	0	-0.001	-0.010	26.138	-0.001	-0.001	0.000	0.000	0.000	0.000
40	B	2442	LEU	0	0.046	0.043	27.896	-0.001	-0.001	0.000	0.000	0.000	0.000
41	B	2443	THR	0	0.002	-0.011	27.801	0.003	0.003	0.000	0.000	0.000	0.000
42	B	2444	LYS	1	0.828	0.927	27.321	-0.045	-0.045	0.000	0.000	0.000	0.000
43	B	2445	SER	0	-0.007	-0.012	31.822	-0.003	-0.003	0.000	0.000	0.000	0.000
44	B	2446	SER	0	0.001	0.004	33.639	0.000	0.000	0.000	0.000	0.000	0.000
45	B	2447	THR	0	0.011	-0.012	35.528	-0.001	-0.001	0.000	0.000	0.000	0.000
46	B	2448	LEU	0	-0.008	0.014	33.041	0.000	0.000	0.000	0.000	0.000	0.000
47	B	2449	PRO	0	0.016	-0.001	36.488	-0.004	-0.004	0.000	0.000	0.000	0.000
48	B	2450	ARG	1	0.864	0.935	33.619	-0.037	-0.037	0.000	0.000	0.000	0.000
49	B	2451	ILE	0	0.038	0.023	33.232	-0.002	-0.002	0.000	0.000	0.000	0.000
50	B	2452	SER	0	-0.036	-0.015	34.405	-0.002	-0.002	0.000	0.000	0.000	0.000
51	B	2453	LEU	0	0.032	-0.002	29.987	0.004	0.004	0.000	0.000	0.000	0.000
52	B	2454	GLN	0	-0.030	-0.026	33.825	-0.001	-0.001	0.000	0.000	0.000	0.000
53	B	2455	ALA	0	0.011	0.008	36.633	0.003	0.003	0.000	0.000	0.000	0.000
54	B	2456	ALA	0	-0.026	-0.019	31.465	0.005	0.005	0.000	0.000	0.000	0.000
55	B	2457	VAL	0	-0.046	-0.014	31.288	0.007	0.007	0.000	0.000	0.000	0.000
56	B	2458	GLY	0	0.039	0.039	33.499	0.001	0.001	0.000	0.000	0.000	0.000
57	B	2459	ASP	-1	-0.903	-0.950	36.920	0.039	0.039	0.000	0.000	0.000	0.000
58	B	2460	SER	0	-0.011	0.007	34.632	-0.008	-0.008	0.000	0.000	0.000	0.000
59	B	2461	VAL	0	-0.033	-0.039	35.591	-0.004	-0.004	0.000	0.000	0.000	0.000
60	B	2462	PRO	0	-0.059	-0.034	31.535	0.003	0.003	0.000	0.000	0.000	0.000
61	B	2463	SER	0	0.007	0.017	30.988	-0.005	-0.005	0.000	0.000	0.000	0.000
62	B	2464	ALA	0	-0.010	-0.005	28.946	0.000	0.000	0.000	0.000	0.000	0.000
63	B	2465	CYS	0	-0.002	0.011	23.972	0.006	0.006	0.000	0.000	0.000	0.000
64	B	2466	SER	0	0.039	0.011	26.546	0.013	0.013	0.000	0.000	0.000	0.000
65	B	2467	PRO	0	0.000	-0.008	25.311	0.004	0.004	0.000	0.000	0.000	0.000
66	B	2468	LYS	1	0.956	0.986	24.321	-0.045	-0.045	0.000	0.000	0.000	0.000
67	B	2469	GLN	0	0.069	0.025	25.998	-0.006	-0.006	0.000	0.000	0.000	0.000
68	B	2470	LEU	0	0.023	0.013	20.668	0.015	0.015	0.000	0.000	0.000	0.000
69	B	2471	TYR	0	-0.008	-0.018	19.152	0.005	0.005	0.000	0.000	0.000	0.000
70	B	2472	MET	0	-0.042	-0.007	21.225	0.028	0.028	0.000	0.000	0.000	0.000
71	B	2473	TYR	0	0.024	0.006	22.730	0.008	0.008	0.000	0.000	0.000	0.000
72	B	2474	GLY	0	0.024	0.019	18.547	0.008	0.008	0.000	0.000	0.000	0.000
73	B	2475	VAL	0	-0.016	-0.003	17.547	0.006	0.006	0.000	0.000	0.000	0.000
74	B	2476	SER	0	0.076	0.029	13.123	-0.039	-0.039	0.000	0.000	0.000	0.000
75	B	2477	LYS	1	0.983	0.970	15.104	-0.053	-0.053	0.000	0.000	0.000	0.000
76	B	2478	ALA	0	0.050	0.054	12.808	-0.038	-0.038	0.000	0.000	0.000	0.000
77	B	2479	CYS	0	-0.056	-0.024	14.970	-0.016	-0.016	0.000	0.000	0.000	0.000
78	B	2480	ILE	0	-0.009	-0.015	17.732	-0.004	-0.004	0.000	0.000	0.000	0.000
79	B	2481	SER	0	-0.061	-0.020	17.181	-0.006	-0.006	0.000	0.000	0.000	0.000
80	B	2482	VAL	0	-0.032	-0.008	18.381	-0.041	-0.041	0.000	0.000	0.000	0.000
81	B	2483	ASN	0	0.008	0.007	20.347	0.042	0.042	0.000	0.000	0.000	0.000
82	B	2484	SER	0	0.025	-0.005	23.134	-0.017	-0.017	0.000	0.000	0.000	0.000
83	B	2485	LYS	1	0.799	0.871	24.833	0.157	0.157	0.000	0.000	0.000	0.000
84	B	2486	ASN	0	0.042	0.026	18.317	0.014	0.014	0.000	0.000	0.000	0.000
85	B	2487	ALA	0	-0.008	-0.005	18.983	-0.029	-0.029	0.000	0.000	0.000	0.000
86	B	2488	GLU	-1	-0.834	-0.888	19.298	-0.270	-0.270	0.000	0.000	0.000	0.000
87	B	2489	TYR	0	-0.035	-0.034	16.611	-0.023	-0.023	0.000	0.000	0.000	0.000
88	B	2490	PHE	0	-0.037	-0.021	13.141	-0.006	-0.006	0.000	0.000	0.000	0.000
89	B	2491	GLN	0	-0.001	-0.005	10.377	0.000	0.000	0.000	0.000	0.000	0.000
90	B	2492	PHE	0	-0.004	0.005	9.830	-0.065	-0.065	0.000	0.000	0.000	0.000
91	B	2493	ALA	0	0.085	0.048	6.097	0.045	0.045	0.000	0.000	0.000	0.000
92	B	2494	ILE	0	-0.032	-0.027	2.796	-0.722	-0.370	2.816	-0.516	-2.651	0.008
93	B	2495	GLU	-1	-0.882	-0.938	1.614	-13.357	-18.769	19.624	-7.734	-6.478	-0.045
94	B	2496	ASP	-1	-0.898	-0.953	3.494	0.507	1.193	0.012	-0.390	-0.309	-0.003
95	B	2497	HIS	0	-0.067	-0.046	6.855	0.118	0.118	0.000	0.000	0.000	0.000
96	B	2498	PHE	0	-0.040	-0.016	6.123	-0.246	-0.246	0.000	0.000	0.000	0.000
97	B	2499	GLY	0	0.066	0.055	6.614	-0.079	-0.079	0.000	0.000	0.000	0.000
98	B	2500	LYS	1	0.832	0.899	1.930	-29.925	-36.047	16.151	-5.220	-4.809	0.060
99	B	2501	GLU	-1	-0.874	-0.941	6.491	0.936	0.936	0.000	0.000	0.000	0.000
100	B	2502	ALA	0	0.001	0.002	7.917	-0.125	-0.125	0.000	0.000	0.000	0.000
101	B	2503	LEU	0	-0.019	-0.012	2.304	-0.969	-0.856	5.576	-1.698	-3.992	-0.002
102	B	2504	CYS	0	-0.071	-0.035	3.228	0.229	1.309	0.183	-0.431	-0.831	-0.003
103	B	2505	ALA	0	0.014	0.010	5.628	-0.532	-0.532	0.000	0.000	0.000	0.000
104	B	2506	GLY	0	0.052	0.009	4.611	-0.277	-0.169	-0.001	-0.005	-0.102	0.000
105	B	2507	LYS	1	0.876	0.939	5.685	-0.765	-0.765	0.000	0.000	0.000	0.000
106	B	2508	GLY	0	0.036	0.029	5.097	-0.095	-0.095	0.000	0.000	0.000	0.000
107	B	2509	PHE	0	0.011	-0.001	3.733	0.032	0.244	0.000	-0.027	-0.185	0.000
108	B	2510	ARG	1	0.843	0.929	8.611	-0.175	-0.175	0.000	0.000	0.000	0.000
109	B	2511	LEU	0	-0.018	0.000	10.658	0.067	0.067	0.000	0.000	0.000	0.000
110	B	2512	ALA	0	0.028	-0.007	13.851	-0.028	-0.028	0.000	0.000	0.000	0.000
111	B	2513	ASP	-1	-0.825	-0.910	17.596	0.036	0.036	0.000	0.000	0.000	0.000
112	B	2514	GLY	0	-0.025	-0.008	17.593	-0.008	-0.008	0.000	0.000	0.000	0.000
113	B	2515	GLY	0	0.033	0.041	15.882	-0.011	-0.011	0.000	0.000	0.000	0.000
114	B	2516	TRP	0	-0.044	-0.034	10.510	0.067	0.067	0.000	0.000	0.000	0.000
115	B	2517	LEU	0	0.007	0.014	8.623	-0.072	-0.072	0.000	0.000	0.000	0.000
116	B	2518	ILE	0	-0.019	-0.011	6.087	0.101	0.101	0.000	0.000	0.000	0.000
117	B	2519	PRO	0	-0.020	-0.006	2.384	-1.216	-0.158	1.391	-0.612	-1.836	0.003
118	B	2520	SER	0	0.044	0.007	4.540	-0.582	-0.422	-0.001	-0.017	-0.142	0.000
119	B	2521	ASP	-1	-0.814	-0.903	3.227	-3.995	-2.780	0.158	-0.455	-0.917	-0.003
120	B	2522	ASP	-1	-0.863	-0.903	2.846	-6.902	-4.985	0.332	-1.055	-1.194	-0.012
121	B	2523	GLY	0	0.019	0.003	2.689	-1.849	-0.463	6.941	-3.802	-4.525	0.010
122	B	2524	LYS	1	0.762	0.871	3.247	6.387	0.876	0.253	7.053	-1.795	0.001
123	B	2525	ALA	0	0.046	0.018	6.425	0.204	0.204	0.000	0.000	0.000	0.000
124	B	2526	GLY	0	0.016	0.006	9.156	0.020	0.020	0.000	0.000	0.000	0.000
125	B	2527	LYS	1	0.871	0.930	12.668	0.354	0.354	0.000	0.000	0.000	0.000
126	B	2528	GLU	-1	-0.866	-0.910	13.904	-0.370	-0.370	0.000	0.000	0.000	0.000
127	B	2529	GLU	-1	-0.763	-0.890	8.583	-0.558	-0.558	0.000	0.000	0.000	0.000
128	B	2530	PHE	0	-0.010	-0.027	11.450	0.075	0.075	0.000	0.000	0.000	0.000
129	B	2531	TYR	0	-0.031	-0.018	13.909	0.031	0.031	0.000	0.000	0.000	0.000
130	B	2532	ARG	1	0.905	0.950	12.636	0.343	0.343	0.000	0.000	0.000	0.000
131	B	2533	ALA	0	0.046	0.022	12.431	0.035	0.035	0.000	0.000	0.000	0.000
132	B	2534	LEU	0	-0.020	-0.013	14.223	0.041	0.041	0.000	0.000	0.000	0.000
133	B	2535	CYS	0	-0.039	-0.010	17.623	0.018	0.018	0.000	0.000	0.000	0.000
134	B	2536	ASP	-1	-0.739	-0.860	14.903	-0.089	-0.089	0.000	0.000	0.000	0.000
135	B	2537	THR	0	-0.044	-0.030	17.594	0.035	0.035	0.000	0.000	0.000	0.000
136	B	2538	PRO	0	-0.054	-0.014	19.249	-0.013	-0.013	0.000	0.000	0.000	0.000
137	B	2539	GLY	0	0.025	0.019	22.595	0.000	0.000	0.000	0.000	0.000	0.000
138	B	2540	VAL	0	-0.033	-0.008	21.813	-0.004	-0.004	0.000	0.000	0.000	0.000
139	B	2541	ASP	-1	-0.757	-0.880	24.054	-0.096	-0.096	0.000	0.000	0.000	0.000
140	B	2542	PRO	0	-0.038	-0.036	21.418	-0.006	-0.006	0.000	0.000	0.000	0.000
141	B	2543	LYS	1	0.798	0.906	23.430	0.124	0.124	0.000	0.000	0.000	0.000
142	B	2544	LEU	0	-0.007	0.011	26.559	-0.001	-0.001	0.000	0.000	0.000	0.000
143	B	2545	ILE	0	-0.019	0.003	21.371	0.003	0.003	0.000	0.000	0.000	0.000
144	B	2546	SER	0	0.057	0.036	23.494	-0.016	-0.016	0.000	0.000	0.000	0.000
145	B	2547	SER	0	0.030	-0.009	18.774	0.015	0.015	0.000	0.000	0.000	0.000
146	B	2548	VAL	0	0.017	0.025	20.965	-0.002	-0.002	0.000	0.000	0.000	0.000
147	B	2549	TRP	0	0.014	-0.010	23.079	0.002	0.002	0.000	0.000	0.000	0.000
148	B	2550	VAL	0	0.024	0.008	18.151	0.014	0.014	0.000	0.000	0.000	0.000
149	B	2551	SER	0	-0.044	-0.038	20.088	-0.007	-0.007	0.000	0.000	0.000	0.000
150	B	2552	ASN	0	-0.001	-0.012	21.071	0.004	0.004	0.000	0.000	0.000	0.000
151	B	2553	HIS	0	0.024	-0.003	23.369	0.014	0.014	0.000	0.000	0.000	0.000
152	B	2554	TYR	0	-0.043	-0.023	15.047	0.035	0.035	0.000	0.000	0.000	0.000
153	B	2555	ARG	1	0.838	0.907	20.407	0.157	0.157	0.000	0.000	0.000	0.000
154	B	2556	TRP	0	-0.053	-0.031	22.505	0.012	0.012	0.000	0.000	0.000	0.000
155	B	2557	ILE	0	-0.047	-0.022	19.994	0.019	0.019	0.000	0.000	0.000	0.000
156	B	2558	VAL	0	0.049	0.024	17.578	0.027	0.027	0.000	0.000	0.000	0.000
157	B	2559	TRP	0	0.034	0.017	20.214	0.015	0.015	0.000	0.000	0.000	0.000
158	B	2560	LYS	1	0.868	0.939	23.003	0.004	0.004	0.000	0.000	0.000	0.000
159	B	2561	LEU	0	-0.067	-0.043	19.702	0.017	0.017	0.000	0.000	0.000	0.000
160	B	2562	ALA	0	0.051	0.026	19.984	0.021	0.021	0.000	0.000	0.000	0.000
161	B	2563	ALA	0	-0.010	0.003	21.270	0.012	0.012	0.000	0.000	0.000	0.000
162	B	2564	MET	0	-0.086	-0.045	24.216	0.008	0.008	0.000	0.000	0.000	0.000
163	B	2565	GLU	-1	-0.712	-0.840	18.635	0.127	0.127	0.000	0.000	0.000	0.000
164	B	2566	PHE	0	-0.005	-0.015	22.948	0.008	0.008	0.000	0.000	0.000	0.000
165	B	2567	ALA	0	-0.011	0.000	24.239	0.002	0.002	0.000	0.000	0.000	0.000
166	B	2568	PHE	0	0.027	0.001	26.636	0.000	0.000	0.000	0.000	0.000	0.000
167	B	2569	PRO	0	0.031	0.013	24.434	0.015	0.015	0.000	0.000	0.000	0.000
168	B	2570	LYS	1	0.876	0.958	24.748	-0.107	-0.107	0.000	0.000	0.000	0.000
169	B	2571	GLU	-1	-0.844	-0.928	26.459	0.113	0.113	0.000	0.000	0.000	0.000
170	B	2572	PHE	0	-0.055	-0.053	24.034	0.008	0.008	0.000	0.000	0.000	0.000
171	B	2573	ALA	0	-0.027	0.000	22.381	0.014	0.014	0.000	0.000	0.000	0.000
172	B	2574	ASN	0	-0.034	-0.018	15.734	0.030	0.030	0.000	0.000	0.000	0.000
173	B	2575	ARG	1	0.928	0.967	18.743	-0.128	-0.128	0.000	0.000	0.000	0.000
174	B	2576	CYS	0	-0.136	-0.065	19.731	0.001	0.001	0.000	0.000	0.000	0.000
175	B	2577	LEU	0	0.022	0.005	16.110	-0.011	-0.011	0.000	0.000	0.000	0.000
176	B	2578	ASN	0	0.022	0.007	13.957	0.008	0.008	0.000	0.000	0.000	0.000
177	B	2579	PRO	0	0.070	0.026	9.970	-0.046	-0.046	0.000	0.000	0.000	0.000
178	B	2580	GLU	-1	-0.758	-0.870	12.888	0.192	0.192	0.000	0.000	0.000	0.000
179	B	2581	ARG	1	0.898	0.953	15.126	-0.194	-0.194	0.000	0.000	0.000	0.000
180	B	2582	VAL	0	0.011	0.013	15.438	-0.024	-0.024	0.000	0.000	0.000	0.000
181	B	2583	LEU	0	0.038	0.030	14.808	-0.028	-0.028	0.000	0.000	0.000	0.000
182	B	2584	LEU	0	0.022	0.008	16.921	-0.016	-0.016	0.000	0.000	0.000	0.000
183	B	2585	GLN	0	-0.062	-0.051	20.022	-0.017	-0.017	0.000	0.000	0.000	0.000
184	B	2586	LEU	0	0.015	0.013	17.349	-0.009	-0.009	0.000	0.000	0.000	0.000
185	B	2587	LYS	1	0.821	0.914	20.649	-0.010	-0.010	0.000	0.000	0.000	0.000
186	B	2588	TYR	0	-0.020	-0.014	22.314	-0.001	-0.001	0.000	0.000	0.000	0.000
187	B	2589	ARG	1	0.854	0.917	24.404	0.049	0.049	0.000	0.000	0.000	0.000
188	B	2590	TYR	0	0.027	0.007	24.419	-0.009	-0.009	0.000	0.000	0.000	0.000
189	B	2591	ASP	-1	-0.740	-0.861	26.229	0.002	0.002	0.000	0.000	0.000	0.000
190	B	2592	VAL	0	-0.051	-0.026	28.394	0.002	0.002	0.000	0.000	0.000	0.000
191	B	2593	GLU	-1	-0.805	-0.867	29.680	-0.076	-0.076	0.000	0.000	0.000	0.000
192	B	2594	ILE	0	-0.033	-0.006	27.793	-0.002	-0.002	0.000	0.000	0.000	0.000
193	B	2595	ASP	-1	-0.814	-0.905	29.502	-0.025	-0.025	0.000	0.000	0.000	0.000
194	B	2596	ASN	0	-0.050	-0.030	31.768	0.009	0.009	0.000	0.000	0.000	0.000
195	B	2597	SER	0	-0.002	0.018	33.874	0.001	0.001	0.000	0.000	0.000	0.000
196	B	2598	SER	0	-0.067	-0.047	33.827	0.001	0.001	0.000	0.000	0.000	0.000
197	B	2599	ARG	1	0.774	0.855	34.061	0.042	0.042	0.000	0.000	0.000	0.000
198	B	2600	SER	0	-0.027	-0.038	33.204	0.006	0.006	0.000	0.000	0.000	0.000
199	B	2601	ALA	0	-0.002	0.000	35.336	-0.002	-0.002	0.000	0.000	0.000	0.000
200	B	2602	LEU	0	-0.008	-0.012	35.039	0.000	0.000	0.000	0.000	0.000	0.000
201	B	2603	LYS	1	0.812	0.908	32.649	0.068	0.068	0.000	0.000	0.000	0.000
202	B	2604	LYS	1	0.872	0.919	36.224	0.034	0.034	0.000	0.000	0.000	0.000
203	B	2605	ILE	0	-0.040	-0.005	39.755	0.001	0.001	0.000	0.000	0.000	0.000
204	B	2606	LEU	0	0.003	-0.011	37.142	0.001	0.001	0.000	0.000	0.000	0.000
205	B	2607	GLU	-1	-0.700	-0.818	36.340	-0.068	-0.068	0.000	0.000	0.000	0.000
206	B	2608	ARG	1	0.866	0.947	39.947	0.061	0.061	0.000	0.000	0.000	0.000
207	B	2609	ASP	-1	-0.773	-0.869	41.725	-0.038	-0.038	0.000	0.000	0.000	0.000
208	B	2610	ASP	-1	-0.799	-0.915	43.071	-0.028	-0.028	0.000	0.000	0.000	0.000
209	B	2611	THR	0	-0.021	-0.002	44.345	-0.002	-0.002	0.000	0.000	0.000	0.000
210	B	2612	ALA	0	-0.040	-0.010	45.375	0.000	0.000	0.000	0.000	0.000	0.000
211	B	2613	ALA	0	-0.034	-0.019	45.202	0.002	0.002	0.000	0.000	0.000	0.000
212	B	2614	LYS	1	0.840	0.919	44.328	0.032	0.032	0.000	0.000	0.000	0.000
213	B	2615	THR	0	-0.049	-0.021	45.903	-0.002	-0.002	0.000	0.000	0.000	0.000
214	B	2616	LEU	0	0.044	0.024	40.085	0.001	0.001	0.000	0.000	0.000	0.000
215	B	2617	VAL	0	-0.049	-0.025	38.803	0.002	0.002	0.000	0.000	0.000	0.000
216	B	2618	LEU	0	0.018	0.014	36.871	0.000	0.000	0.000	0.000	0.000	0.000
217	B	2619	CYS	0	-0.022	-0.015	32.525	0.007	0.007	0.000	0.000	0.000	0.000
218	B	2620	VAL	0	-0.004	0.020	34.457	-0.006	-0.006	0.000	0.000	0.000	0.000
219	B	2621	SER	0	-0.023	-0.056	29.649	0.006	0.006	0.000	0.000	0.000	0.000
220	B	2622	ASP	-1	-0.800	-0.891	29.801	-0.156	-0.156	0.000	0.000	0.000	0.000
221	B	2623	ILE	0	-0.035	-0.016	32.097	0.012	0.012	0.000	0.000	0.000	0.000
222	B	2624	ILE	0	0.009	0.016	33.943	-0.007	-0.007	0.000	0.000	0.000	0.000
223	B	2625	SER	0	0.028	0.012	34.390	0.006	0.006	0.000	0.000	0.000	0.000
224	B	2626	LEU	0	-0.004	0.000	35.831	-0.007	-0.007	0.000	0.000	0.000	0.000
225	B	2627	SER	0	0.023	0.023	38.691	0.001	0.001	0.000	0.000	0.000	0.000
226	B	2645	LYS	1	0.957	0.970	38.250	0.120	0.120	0.000	0.000	0.000	0.000
227	B	2646	VAL	0	-0.004	-0.016	38.223	-0.006	-0.006	0.000	0.000	0.000	0.000
228	B	2647	ASP	-1	-0.789	-0.834	39.570	-0.089	-0.089	0.000	0.000	0.000	0.000
229	B	2648	THR	0	-0.052	-0.062	39.515	0.006	0.006	0.000	0.000	0.000	0.000
230	B	2649	ILE	0	0.009	0.002	36.690	-0.003	-0.003	0.000	0.000	0.000	0.000
231	B	2650	GLU	-1	-0.773	-0.834	30.631	-0.133	-0.133	0.000	0.000	0.000	0.000
232	B	2651	LEU	0	-0.007	-0.005	34.744	0.005	0.005	0.000	0.000	0.000	0.000
233	B	2652	THR	0	0.072	0.031	30.465	0.000	0.000	0.000	0.000	0.000	0.000
234	B	2653	ASP	-1	-0.732	-0.850	33.136	-0.054	-0.054	0.000	0.000	0.000	0.000
235	B	2654	GLY	0	-0.028	-0.015	29.854	0.009	0.009	0.000	0.000	0.000	0.000
236	B	2655	TRP	0	-0.065	-0.021	28.630	0.000	0.000	0.000	0.000	0.000	0.000
237	B	2656	TYR	0	0.023	-0.024	29.146	-0.012	-0.012	0.000	0.000	0.000	0.000
238	B	2657	ALA	0	0.003	-0.010	31.321	0.006	0.006	0.000	0.000	0.000	0.000
239	B	2658	VAL	0	0.032	0.030	33.130	-0.004	-0.004	0.000	0.000	0.000	0.000
240	B	2659	LYS	1	0.973	0.993	33.782	0.128	0.128	0.000	0.000	0.000	0.000
241	B	2660	ALA	0	0.038	0.015	37.839	0.004	0.004	0.000	0.000	0.000	0.000
242	B	2661	GLN	0	0.050	0.019	40.813	-0.002	-0.002	0.000	0.000	0.000	0.000
243	B	2662	LEU	0	-0.015	-0.017	41.335	0.003	0.003	0.000	0.000	0.000	0.000
244	B	2663	ASP	-1	-0.725	-0.853	45.637	-0.047	-0.047	0.000	0.000	0.000	0.000
245	B	2664	PRO	0	0.031	0.012	48.041	-0.001	-0.001	0.000	0.000	0.000	0.000
246	B	2665	PRO	0	0.003	0.022	48.870	-0.001	-0.001	0.000	0.000	0.000	0.000
247	B	2666	LEU	0	0.015	0.000	43.262	0.000	0.000	0.000	0.000	0.000	0.000
248	B	2667	LEU	0	0.007	-0.004	43.446	-0.002	-0.002	0.000	0.000	0.000	0.000
249	B	2668	ALA	0	0.017	0.011	44.327	-0.003	-0.003	0.000	0.000	0.000	0.000
250	B	2669	LEU	0	-0.026	-0.004	44.184	0.000	0.000	0.000	0.000	0.000	0.000
251	B	2670	VAL	0	0.004	0.001	38.981	0.000	0.000	0.000	0.000	0.000	0.000
252	B	2671	LYS	1	0.906	0.961	40.610	0.070	0.070	0.000	0.000	0.000	0.000
253	B	2672	SER	0	-0.065	-0.034	42.306	0.000	0.000	0.000	0.000	0.000	0.000
254	B	2673	GLY	0	0.014	0.014	39.355	0.003	0.003	0.000	0.000	0.000	0.000
255	B	2674	ARG	1	0.871	0.937	39.671	0.036	0.036	0.000	0.000	0.000	0.000
256	B	2675	LEU	0	-0.024	-0.006	38.141	0.004	0.004	0.000	0.000	0.000	0.000
257	B	2676	THR	0	0.012	0.000	34.518	-0.008	-0.008	0.000	0.000	0.000	0.000
258	B	2677	VAL	0	0.029	0.006	29.723	0.006	0.006	0.000	0.000	0.000	0.000
259	B	2678	GLY	0	0.003	0.001	31.108	0.002	0.002	0.000	0.000	0.000	0.000
260	B	2679	GLN	0	0.000	0.016	31.682	0.007	0.007	0.000	0.000	0.000	0.000
261	B	2680	LYS	1	0.861	0.911	33.733	0.011	0.011	0.000	0.000	0.000	0.000
262	B	2681	ILE	0	-0.016	-0.004	37.193	0.004	0.004	0.000	0.000	0.000	0.000
263	B	2682	ILE	0	0.014	0.017	40.561	0.000	0.000	0.000	0.000	0.000	0.000
264	B	2683	THR	0	-0.018	-0.009	42.937	-0.002	-0.002	0.000	0.000	0.000	0.000
265	B	2684	GLN	0	0.045	0.022	45.434	0.000	0.000	0.000	0.000	0.000	0.000
266	B	2685	GLY	0	-0.019	-0.001	48.591	0.001	0.001	0.000	0.000	0.000	0.000
267	B	2686	ALA	0	-0.011	0.017	45.102	-0.002	-0.002	0.000	0.000	0.000	0.000
268	B	2687	GLU	-1	-0.824	-0.901	46.815	-0.044	-0.044	0.000	0.000	0.000	0.000
269	B	2688	LEU	0	-0.018	-0.006	41.405	-0.002	-0.002	0.000	0.000	0.000	0.000
270	B	2689	VAL	0	-0.029	-0.016	45.045	0.002	0.002	0.000	0.000	0.000	0.000
271	B	2690	GLY	0	0.003	0.006	44.704	-0.004	-0.004	0.000	0.000	0.000	0.000
272	B	2691	SER	0	0.055	0.004	42.969	0.000	0.000	0.000	0.000	0.000	0.000
273	B	2692	PRO	0	-0.090	-0.029	44.109	0.000	0.000	0.000	0.000	0.000	0.000
274	B	2693	ASP	-1	-0.867	-0.962	43.700	-0.073	-0.073	0.000	0.000	0.000	0.000
275	B	2694	ALA	0	-0.018	-0.011	42.535	0.004	0.004	0.000	0.000	0.000	0.000
276	B	2695	CYS	0	-0.031	0.011	37.783	-0.003	-0.003	0.000	0.000	0.000	0.000
277	B	2696	ALA	0	0.102	0.055	33.535	0.005	0.005	0.000	0.000	0.000	0.000
278	B	2697	PRO	0	-0.041	-0.037	32.517	-0.004	-0.004	0.000	0.000	0.000	0.000
279	B	2698	LEU	0	-0.088	-0.042	27.573	-0.004	-0.004	0.000	0.000	0.000	0.000
280	B	2699	GLU	-1	-0.938	-0.966	31.184	-0.126	-0.126	0.000	0.000	0.000	0.000
281	B	2700	ALA	0	-0.035	-0.014	33.904	0.005	0.005	0.000	0.000	0.000	0.000
282	B	2701	PRO	0	0.026	0.014	36.032	-0.007	-0.007	0.000	0.000	0.000	0.000
283	B	2702	ASP	-1	-0.880	-0.925	37.474	-0.109	-0.109	0.000	0.000	0.000	0.000
284	B	2703	SER	0	-0.048	-0.031	38.521	0.005	0.005	0.000	0.000	0.000	0.000
285	B	2704	LEU	0	-0.034	-0.004	39.783	0.007	0.007	0.000	0.000	0.000	0.000
286	B	2705	ARG	1	0.746	0.846	40.209	0.087	0.087	0.000	0.000	0.000	0.000
287	B	2706	LEU	0	0.002	0.007	40.885	0.004	0.004	0.000	0.000	0.000	0.000
288	B	2707	LYS	1	0.779	0.883	42.736	0.049	0.049	0.000	0.000	0.000	0.000
289	B	2708	ILE	0	-0.003	-0.003	42.526	0.004	0.004	0.000	0.000	0.000	0.000
290	B	2709	SER	0	0.014	-0.008	46.014	0.000	0.000	0.000	0.000	0.000	0.000
291	B	2710	ALA	0	0.011	0.004	48.394	0.002	0.002	0.000	0.000	0.000	0.000
292	B	2711	ASN	0	-0.085	-0.058	49.371	0.004	0.004	0.000	0.000	0.000	0.000
293	B	2712	SER	0	-0.016	-0.024	49.658	0.002	0.002	0.000	0.000	0.000	0.000
294	B	2713	THR	0	-0.044	-0.025	44.829	-0.001	-0.001	0.000	0.000	0.000	0.000
295	B	2714	ARG	1	0.881	0.936	45.661	0.027	0.027	0.000	0.000	0.000	0.000
296	B	2715	PRO	0	0.054	0.042	41.713	-0.001	-0.001	0.000	0.000	0.000	0.000
297	B	2716	ALA	0	-0.010	-0.005	39.348	0.004	0.004	0.000	0.000	0.000	0.000
298	B	2717	ARG	1	0.944	0.964	40.215	-0.001	-0.001	0.000	0.000	0.000	0.000
299	B	2718	TRP	0	0.091	0.056	32.518	-0.006	-0.006	0.000	0.000	0.000	0.000
300	B	2719	HIS	0	0.045	0.053	34.995	-0.007	-0.007	0.000	0.000	0.000	0.000
301	B	2720	SER	0	-0.079	-0.065	36.070	-0.006	-0.006	0.000	0.000	0.000	0.000
302	B	2721	LYS	1	0.973	0.972	35.986	0.003	0.003	0.000	0.000	0.000	0.000
303	B	2722	LEU	0	-0.017	0.022	32.304	-0.001	-0.001	0.000	0.000	0.000	0.000
304	B	2723	GLY	0	0.035	0.012	36.141	0.003	0.003	0.000	0.000	0.000	0.000
305	B	2724	PHE	0	0.044	0.021	37.990	-0.002	-0.002	0.000	0.000	0.000	0.000
306	B	2725	PHE	0	-0.044	-0.021	41.485	0.004	0.004	0.000	0.000	0.000	0.000
307	B	2726	HIS	1	0.871	0.933	43.630	0.002	0.002	0.000	0.000	0.000	0.000
308	B	2727	ASP	-1	-0.804	-0.908	46.442	-0.009	-0.009	0.000	0.000	0.000	0.000
309	B	2728	PRO	0	0.008	-0.003	49.670	-0.001	-0.001	0.000	0.000	0.000	0.000
310	B	2729	ARG	1	0.906	0.970	50.930	0.010	0.010	0.000	0.000	0.000	0.000
311	B	2730	PRO	0	-0.013	-0.010	52.685	0.001	0.001	0.000	0.000	0.000	0.000
312	B	2731	PHE	0	-0.012	-0.015	47.728	0.002	0.002	0.000	0.000	0.000	0.000
313	B	2732	PRO	0	-0.025	-0.004	53.432	-0.001	-0.001	0.000	0.000	0.000	0.000
314	B	2733	LEU	0	-0.002	0.003	52.450	0.001	0.001	0.000	0.000	0.000	0.000
315	B	2734	PRO	0	-0.048	-0.028	54.445	0.000	0.000	0.000	0.000	0.000	0.000
316	B	2735	LEU	0	0.095	0.041	57.376	-0.001	-0.001	0.000	0.000	0.000	0.000
317	B	2736	SER	0	-0.007	0.001	58.753	0.000	0.000	0.000	0.000	0.000	0.000
318	B	2737	SER	0	-0.099	-0.047	54.586	-0.001	-0.001	0.000	0.000	0.000	0.000
319	B	2738	LEU	0	-0.015	-0.003	54.837	0.000	0.000	0.000	0.000	0.000	0.000
320	B	2739	PHE	0	0.024	0.004	50.682	0.000	0.000	0.000	0.000	0.000	0.000
321	B	2740	SER	0	0.049	0.007	55.623	0.000	0.000	0.000	0.000	0.000	0.000
322	B	2741	ASP	-1	-0.863	-0.930	54.550	-0.041	-0.041	0.000	0.000	0.000	0.000
323	B	2742	GLY	0	-0.004	-0.008	52.225	-0.002	-0.002	0.000	0.000	0.000	0.000
324	B	2743	GLY	0	0.051	0.025	52.451	0.001	0.001	0.000	0.000	0.000	0.000
325	B	2744	ASN	0	-0.068	-0.039	53.808	0.004	0.004	0.000	0.000	0.000	0.000
326	B	2745	VAL	0	0.065	0.031	54.286	-0.001	-0.001	0.000	0.000	0.000	0.000
327	B	2746	GLY	0	0.032	0.020	54.690	0.000	0.000	0.000	0.000	0.000	0.000
328	B	2747	CYS	0	-0.052	-0.020	55.784	0.002	0.002	0.000	0.000	0.000	0.000
329	B	2748	VAL	0	0.026	0.025	57.353	0.000	0.000	0.000	0.000	0.000	0.000
330	B	2749	ASP	-1	-0.787	-0.867	60.052	-0.006	-0.006	0.000	0.000	0.000	0.000
331	B	2750	VAL	0	-0.039	-0.020	62.093	0.000	0.000	0.000	0.000	0.000	0.000
332	B	2751	ILE	0	0.023	0.022	65.325	0.001	0.001	0.000	0.000	0.000	0.000
333	B	2752	VAL	0	-0.025	-0.009	68.968	-0.001	-0.001	0.000	0.000	0.000	0.000
334	B	2753	GLN	0	-0.023	-0.035	70.764	0.001	0.001	0.000	0.000	0.000	0.000
335	B	2754	ARG	1	0.835	0.907	73.382	0.009	0.009	0.000	0.000	0.000	0.000
336	B	2755	VAL	0	0.011	0.005	74.767	-0.001	-0.001	0.000	0.000	0.000	0.000
337	B	2756	TYR	0	-0.056	-0.041	74.667	0.000	0.000	0.000	0.000	0.000	0.000
338	B	2757	PRO	0	0.017	0.012	78.729	0.000	0.000	0.000	0.000	0.000	0.000
339	B	2758	LEU	0	-0.028	-0.012	78.765	-0.001	-0.001	0.000	0.000	0.000	0.000
340	B	2759	GLN	0	-0.044	-0.020	77.823	0.000	0.000	0.000	0.000	0.000	0.000
341	B	2760	TRP	0	0.032	0.005	79.048	0.000	0.000	0.000	0.000	0.000	0.000
342	B	2761	VAL	0	-0.034	-0.021	75.124	0.000	0.000	0.000	0.000	0.000	0.000
343	B	2762	GLU	-1	-0.756	-0.860	77.980	-0.021	-0.021	0.000	0.000	0.000	0.000
344	B	2763	LYS	1	0.753	0.865	73.125	0.024	0.024	0.000	0.000	0.000	0.000
345	B	2764	THR	0	0.040	0.012	77.361	0.000	0.000	0.000	0.000	0.000	0.000
346	B	2765	VAL	0	0.044	0.009	77.423	-0.001	-0.001	0.000	0.000	0.000	0.000
347	B	2766	SER	0	-0.024	0.001	77.353	-0.001	-0.001	0.000	0.000	0.000	0.000
348	B	2767	GLY	0	0.022	0.028	74.308	-0.001	-0.001	0.000	0.000	0.000	0.000
349	B	2768	SER	0	-0.082	-0.040	73.559	0.001	0.001	0.000	0.000	0.000	0.000
350	B	2769	TYR	0	-0.012	-0.031	70.314	0.000	0.000	0.000	0.000	0.000	0.000
351	B	2770	ILE	0	0.022	0.034	77.045	0.000	0.000	0.000	0.000	0.000	0.000
352	B	2771	PHE	0	-0.065	-0.040	74.045	0.000	0.000	0.000	0.000	0.000	0.000
353	B	2772	ARG	1	0.878	0.935	80.183	0.019	0.019	0.000	0.000	0.000	0.000
354	B	2773	ASN	0	-0.008	-0.008	82.265	0.000	0.000	0.000	0.000	0.000	0.000
355	B	2774	GLU	-1	-0.820	-0.916	84.472	-0.012	-0.012	0.000	0.000	0.000	0.000
356	B	2775	ARG	1	0.767	0.859	86.297	0.012	0.012	0.000	0.000	0.000	0.000
357	B	2776	GLU	-1	-0.847	-0.936	85.997	-0.016	-0.016	0.000	0.000	0.000	0.000
358	B	2777	GLU	-1	-0.818	-0.890	84.550	-0.018	-0.018	0.000	0.000	0.000	0.000
359	B	2778	GLU	-1	-0.824	-0.890	87.087	-0.013	-0.013	0.000	0.000	0.000	0.000
360	B	2779	LYS	1	0.794	0.879	90.392	0.014	0.014	0.000	0.000	0.000	0.000
361	B	2780	GLU	-1	-0.851	-0.926	87.124	-0.018	-0.018	0.000	0.000	0.000	0.000
362	B	2781	ALA	0	-0.047	-0.029	88.327	0.000	0.000	0.000	0.000	0.000	0.000
363	B	2782	LEU	0	-0.005	0.002	89.858	0.000	0.000	0.000	0.000	0.000	0.000
364	B	2783	ARG	1	0.807	0.905	89.371	0.018	0.018	0.000	0.000	0.000	0.000
365	B	2784	PHE	0	-0.032	-0.007	86.810	-0.001	-0.001	0.000	0.000	0.000	0.000
366	B	2892	SER	0	0.021	-0.011	82.276	0.000	0.000	0.000	0.000	0.000	0.000
367	B	2893	ARG	1	0.825	0.901	82.310	0.018	0.018	0.000	0.000	0.000	0.000
368	B	2894	ASP	-1	-0.816	-0.896	75.767	-0.025	-0.025	0.000	0.000	0.000	0.000
369	B	2895	VAL	0	0.052	0.047	77.937	-0.001	-0.001	0.000	0.000	0.000	0.000
370	B	2896	SER	0	-0.089	-0.061	75.066	-0.001	-0.001	0.000	0.000	0.000	0.000
371	B	2897	THR	0	0.081	0.053	77.118	0.000	0.000	0.000	0.000	0.000	0.000
372	B	2898	VAL	0	-0.056	-0.034	72.810	-0.001	-0.001	0.000	0.000	0.000	0.000
373	B	2899	TRP	0	0.033	0.033	74.239	0.000	0.000	0.000	0.000	0.000	0.000
374	B	2900	LYS	1	0.895	0.938	71.061	0.019	0.019	0.000	0.000	0.000	0.000
375	B	2901	LEU	0	0.055	0.024	71.181	0.001	0.001	0.000	0.000	0.000	0.000
376	B	2902	ARG	1	0.794	0.894	70.799	0.014	0.014	0.000	0.000	0.000	0.000
377	B	2903	VAL	0	-0.003	-0.006	66.390	0.001	0.001	0.000	0.000	0.000	0.000
378	B	2904	THR	0	-0.031	-0.056	65.844	-0.001	-0.001	0.000	0.000	0.000	0.000
379	B	2905	SER	0	-0.041	-0.020	61.545	0.000	0.000	0.000	0.000	0.000	0.000
380	B	2906	TYR	0	0.014	-0.020	63.471	0.000	0.000	0.000	0.000	0.000	0.000
381	B	2907	LYS	1	0.919	0.968	55.887	0.006	0.006	0.000	0.000	0.000	0.000
382	B	2908	LYS	1	0.959	0.960	61.550	0.003	0.003	0.000	0.000	0.000	0.000
383	B	2909	ARG	1	0.853	0.929	57.052	0.010	0.010	0.000	0.000	0.000	0.000
384	B	2910	GLU	-1	-0.663	-0.784	64.100	-0.012	-0.012	0.000	0.000	0.000	0.000
385	B	2911	LYS	1	0.823	0.888	61.518	0.019	0.019	0.000	0.000	0.000	0.000
386	B	2912	SER	0	-0.016	-0.006	65.301	-0.001	-0.001	0.000	0.000	0.000	0.000
387	B	2913	ALA	0	-0.026	0.016	64.554	-0.001	-0.001	0.000	0.000	0.000	0.000
388	B	2914	LEU	0	0.019	0.003	66.683	0.001	0.001	0.000	0.000	0.000	0.000
389	B	2915	LEU	0	-0.008	0.014	66.761	-0.001	-0.001	0.000	0.000	0.000	0.000
390	B	2916	SER	0	-0.022	-0.010	67.806	0.001	0.001	0.000	0.000	0.000	0.000
391	B	2917	ILE	0	0.012	-0.006	68.429	-0.001	-0.001	0.000	0.000	0.000	0.000
392	B	2918	TRP	0	0.018	0.004	68.681	0.000	0.000	0.000	0.000	0.000	0.000
393	B	2919	ARG	1	0.908	0.954	71.448	0.023	0.023	0.000	0.000	0.000	0.000
394	B	2920	PRO	0	-0.032	-0.010	73.109	0.000	0.000	0.000	0.000	0.000	0.000
395	B	2921	SER	0	0.016	-0.003	73.286	0.000	0.000	0.000	0.000	0.000	0.000
396	B	2922	SER	0	0.047	0.004	75.091	0.000	0.000	0.000	0.000	0.000	0.000
397	B	2923	ASP	-1	-0.833	-0.897	74.551	-0.012	-0.012	0.000	0.000	0.000	0.000
398	B	2924	LEU	0	-0.067	-0.029	70.839	0.001	0.001	0.000	0.000	0.000	0.000
399	B	2925	PRO	0	-0.002	-0.019	74.695	0.000	0.000	0.000	0.000	0.000	0.000
400	B	2926	SER	0	-0.003	0.023	77.755	0.001	0.001	0.000	0.000	0.000	0.000
401	B	2927	LEU	0	-0.007	0.012	71.113	0.001	0.001	0.000	0.000	0.000	0.000
402	B	2928	LEU	0	-0.085	-0.016	69.806	0.001	0.001	0.000	0.000	0.000	0.000
403	B	2929	THR	0	0.051	0.005	73.817	0.000	0.000	0.000	0.000	0.000	0.000
404	B	2930	GLU	-1	-0.748	-0.863	74.644	-0.009	-0.009	0.000	0.000	0.000	0.000
405	B	2931	GLY	0	-0.001	0.022	74.950	0.001	0.001	0.000	0.000	0.000	0.000
406	B	2932	GLN	0	-0.009	-0.010	72.964	0.001	0.001	0.000	0.000	0.000	0.000
407	B	2933	ARG	1	0.836	0.881	62.802	0.003	0.003	0.000	0.000	0.000	0.000
408	B	2934	TYR	0	-0.003	-0.035	67.382	0.000	0.000	0.000	0.000	0.000	0.000
409	B	2935	ARG	1	0.822	0.906	58.278	0.007	0.007	0.000	0.000	0.000	0.000
410	B	2936	ILE	0	-0.008	-0.004	62.800	0.000	0.000	0.000	0.000	0.000	0.000
411	B	2937	TYR	0	-0.027	-0.042	58.122	0.000	0.000	0.000	0.000	0.000	0.000
412	B	2938	HIS	0	0.057	-0.006	54.657	0.001	0.001	0.000	0.000	0.000	0.000
413	B	2939	LEU	0	0.004	0.050	59.209	-0.001	-0.001	0.000	0.000	0.000	0.000
414	B	2940	SER	0	-0.048	-0.038	58.475	0.000	0.000	0.000	0.000	0.000	0.000
415	B	2941	VAL	0	0.037	0.010	59.528	0.000	0.000	0.000	0.000	0.000	0.000
416	B	2942	SER	0	-0.023	-0.014	57.381	0.000	0.000	0.000	0.000	0.000	0.000
417	B	2943	LYS	1	0.997	1.017	60.318	0.029	0.029	0.000	0.000	0.000	0.000
418	B	2944	SER	0	0.019	-0.002	62.397	0.001	0.001	0.000	0.000	0.000	0.000
419	B	2945	LYS	1	0.921	0.942	60.205	0.030	0.030	0.000	0.000	0.000	0.000
420	B	2946	ASN	0	-0.010	0.008	63.558	0.000	0.000	0.000	0.000	0.000	0.000
421	B	2947	LYS	1	0.944	0.974	66.564	0.025	0.025	0.000	0.000	0.000	0.000
422	B	2948	PHE	0	0.055	0.018	67.982	0.000	0.000	0.000	0.000	0.000	0.000
423	B	2949	GLU	-1	-0.856	-0.919	64.861	-0.023	-0.023	0.000	0.000	0.000	0.000
424	B	2950	TRP	0	0.022	-0.002	59.526	-0.002	-0.002	0.000	0.000	0.000	0.000
425	B	2951	PRO	0	0.035	0.044	61.484	-0.001	-0.001	0.000	0.000	0.000	0.000
426	B	2952	SER	0	-0.007	-0.012	62.531	0.001	0.001	0.000	0.000	0.000	0.000
427	B	2953	ILE	0	-0.014	0.018	58.679	0.000	0.000	0.000	0.000	0.000	0.000
428	B	2954	GLN	0	0.022	0.012	62.535	0.001	0.001	0.000	0.000	0.000	0.000
429	B	2955	LEU	0	-0.016	-0.015	60.895	-0.001	-0.001	0.000	0.000	0.000	0.000
430	B	2956	THR	0	-0.017	-0.010	63.470	0.001	0.001	0.000	0.000	0.000	0.000
431	B	2957	ALA	0	0.008	0.009	63.725	-0.001	-0.001	0.000	0.000	0.000	0.000
432	B	2958	THR	0	-0.048	-0.042	60.873	-0.001	-0.001	0.000	0.000	0.000	0.000
433	B	2959	LYS	1	1.007	0.984	60.393	0.032	0.032	0.000	0.000	0.000	0.000
434	B	2960	ARG	1	0.952	0.994	56.815	0.026	0.026	0.000	0.000	0.000	0.000
435	B	2961	THR	0	-0.058	-0.012	61.492	0.001	0.001	0.000	0.000	0.000	0.000
436	B	2962	GLN	0	0.006	0.016	61.924	0.001	0.001	0.000	0.000	0.000	0.000
437	B	2963	TYR	0	0.064	0.009	63.982	0.000	0.000	0.000	0.000	0.000	0.000
438	B	2964	GLN	0	0.061	0.042	62.206	0.000	0.000	0.000	0.000	0.000	0.000
439	B	2965	GLN	0	0.044	0.034	66.095	0.001	0.001	0.000	0.000	0.000	0.000
440	B	2966	LEU	0	-0.070	-0.040	63.044	0.001	0.001	0.000	0.000	0.000	0.000
441	B	2967	PRO	0	0.069	0.040	66.886	0.000	0.000	0.000	0.000	0.000	0.000
442	B	2968	VAL	0	0.016	-0.004	68.009	0.000	0.000	0.000	0.000	0.000	0.000
443	B	2969	SER	0	0.018	0.032	68.385	0.000	0.000	0.000	0.000	0.000	0.000
444	B	2970	SER	0	0.034	0.019	71.056	-0.001	-0.001	0.000	0.000	0.000	0.000
445	B	2971	GLU	-1	-0.876	-0.936	69.684	0.002	0.002	0.000	0.000	0.000	0.000
446	B	2972	THR	0	0.021	-0.009	66.991	-0.001	-0.001	0.000	0.000	0.000	0.000
447	B	2973	LEU	0	-0.008	0.001	69.706	-0.001	-0.001	0.000	0.000	0.000	0.000
448	B	2974	LEU	0	0.018	0.016	72.007	-0.001	-0.001	0.000	0.000	0.000	0.000
449	B	2975	GLN	0	-0.015	0.015	67.269	-0.001	-0.001	0.000	0.000	0.000	0.000
450	B	2976	LEU	0	-0.075	-0.044	66.502	-0.001	-0.001	0.000	0.000	0.000	0.000
451	B	2977	TYR	0	-0.014	-0.011	71.033	-0.001	-0.001	0.000	0.000	0.000	0.000
452	B	2978	GLN	0	0.067	0.028	74.071	0.001	0.001	0.000	0.000	0.000	0.000
453	B	2979	PRO	0	0.020	0.005	77.601	-0.001	-0.001	0.000	0.000	0.000	0.000
454	B	2980	ARG	1	0.744	0.840	80.089	0.010	0.010	0.000	0.000	0.000	0.000
455	B	2981	GLU	-1	-0.821	-0.889	82.630	-0.006	-0.006	0.000	0.000	0.000	0.000
456	B	2982	LEU	0	-0.015	-0.007	85.347	-0.001	-0.001	0.000	0.000	0.000	0.000
457	B	2983	LEU	0	-0.018	-0.006	85.794	0.000	0.000	0.000	0.000	0.000	0.000
458	B	2984	PRO	0	0.038	0.013	87.928	0.000	0.000	0.000	0.000	0.000	0.000
459	B	2985	PHE	0	0.018	0.003	89.853	0.000	0.000	0.000	0.000	0.000	0.000
460	B	2986	SER	0	0.033	0.021	90.548	0.000	0.000	0.000	0.000	0.000	0.000
461	B	2987	LYS	1	0.849	0.908	85.032	0.006	0.006	0.000	0.000	0.000	0.000
462	B	2988	LEU	0	-0.058	-0.029	85.562	0.000	0.000	0.000	0.000	0.000	0.000
463	B	2989	SER	0	0.019	0.001	87.103	0.000	0.000	0.000	0.000	0.000	0.000
464	B	2990	ASP	-1	-0.870	-0.915	85.265	-0.006	-0.006	0.000	0.000	0.000	0.000
465	B	2991	PRO	0	-0.031	-0.022	83.172	0.000	0.000	0.000	0.000	0.000	0.000
466	B	2992	ALA	0	-0.038	-0.010	80.957	0.000	0.000	0.000	0.000	0.000	0.000
467	B	2993	PHE	0	-0.017	-0.003	80.775	0.000	0.000	0.000	0.000	0.000	0.000
468	B	2994	GLN	0	-0.005	-0.017	73.865	-0.001	-0.001	0.000	0.000	0.000	0.000
469	B	2995	PRO	0	-0.025	0.014	78.612	0.000	0.000	0.000	0.000	0.000	0.000
470	B	2996	PRO	0	0.035	0.001	76.098	-0.001	-0.001	0.000	0.000	0.000	0.000
471	B	2997	CYS	0	-0.062	-0.040	72.681	0.000	0.000	0.000	0.000	0.000	0.000
472	B	2998	SER	0	-0.010	0.012	74.731	-0.001	-0.001	0.000	0.000	0.000	0.000
473	B	2999	GLU	-1	-0.790	-0.852	76.389	-0.015	-0.015	0.000	0.000	0.000	0.000
474	B	3000	VAL	0	-0.016	-0.009	79.618	0.001	0.001	0.000	0.000	0.000	0.000
475	B	3001	ASP	-1	-0.783	-0.856	83.111	-0.010	-0.010	0.000	0.000	0.000	0.000
476	B	3002	VAL	0	-0.019	-0.019	85.948	0.000	0.000	0.000	0.000	0.000	0.000
477	B	3003	VAL	0	0.032	-0.007	89.612	0.000	0.000	0.000	0.000	0.000	0.000
478	B	3004	GLY	0	0.018	0.007	93.355	0.000	0.000	0.000	0.000	0.000	0.000
479	B	3005	VAL	0	0.003	0.002	95.851	0.000	0.000	0.000	0.000	0.000	0.000
480	B	3006	VAL	0	-0.022	-0.005	96.358	0.000	0.000	0.000	0.000	0.000	0.000
481	B	3007	VAL	0	-0.012	0.006	98.159	0.000	0.000	0.000	0.000	0.000	0.000
482	B	3008	SER	0	-0.046	-0.034	98.843	0.000	0.000	0.000	0.000	0.000	0.000
483	B	3009	VAL	0	0.021	0.009	95.757	0.000	0.000	0.000	0.000	0.000	0.000
484	B	3010	VAL	0	-0.013	-0.007	95.291	0.000	0.000	0.000	0.000	0.000	0.000
485	B	3011	LYS	1	0.936	0.965	92.488	0.015	0.015	0.000	0.000	0.000	0.000
486	B	3012	PRO	0	0.016	0.014	92.215	0.000	0.000	0.000	0.000	0.000	0.000
487	B	3013	ILE	0	0.012	0.014	92.951	0.000	0.000	0.000	0.000	0.000	0.000
488	B	3014	GLY	0	0.023	0.003	89.878	0.000	0.000	0.000	0.000	0.000	0.000
489	B	3015	LEU	0	-0.034	-0.018	83.981	0.000	0.000	0.000	0.000	0.000	0.000
490	B	3016	ALA	0	-0.009	0.002	86.590	0.000	0.000	0.000	0.000	0.000	0.000
491	B	3017	PRO	0	0.006	0.005	88.057	0.000	0.000	0.000	0.000	0.000	0.000
492	B	3018	LEU	0	-0.043	-0.021	89.932	0.000	0.000	0.000	0.000	0.000	0.000
493	B	3019	VAL	0	0.037	0.014	92.068	0.000	0.000	0.000	0.000	0.000	0.000
494	B	3020	TYR	0	-0.016	-0.005	92.950	0.000	0.000	0.000	0.000	0.000	0.000
495	B	3021	LEU	0	-0.016	-0.009	92.029	0.000	0.000	0.000	0.000	0.000	0.000
496	B	3022	SER	0	0.007	-0.007	95.675	0.000	0.000	0.000	0.000	0.000	0.000
497	B	3023	ASP	-1	-0.745	-0.865	96.094	-0.007	-0.007	0.000	0.000	0.000	0.000
498	B	3024	GLU	-1	-0.711	-0.829	98.109	-0.006	-0.006	0.000	0.000	0.000	0.000
499	B	3025	CYS	0	-0.068	-0.027	99.018	0.000	0.000	0.000	0.000	0.000	0.000
500	B	3026	LEU	0	-0.044	-0.013	100.758	0.000	0.000	0.000	0.000	0.000	0.000
501	B	3027	HIS	0	-0.014	0.010	95.265	0.000	0.000	0.000	0.000	0.000	0.000
502	B	3028	LEU	0	-0.017	-0.016	96.044	0.000	0.000	0.000	0.000	0.000	0.000
503	B	3029	LEU	0	-0.008	0.003	89.485	0.000	0.000	0.000	0.000	0.000	0.000
504	B	3030	VAL	0	-0.011	-0.017	89.332	0.000	0.000	0.000	0.000	0.000	0.000
505	B	3031	VAL	0	0.017	0.019	87.488	0.000	0.000	0.000	0.000	0.000	0.000
506	B	3032	LYS	1	0.889	0.939	85.799	0.013	0.013	0.000	0.000	0.000	0.000
507	B	3033	PHE	0	-0.009	-0.023	86.295	0.000	0.000	0.000	0.000	0.000	0.000
508	B	3034	GLY	0	-0.028	-0.007	83.015	0.000	0.000	0.000	0.000	0.000	0.000
509	B	3035	ILE	0	-0.039	0.002	83.387	-0.001	-0.001	0.000	0.000	0.000	0.000
510	B	3036	ASP	-1	-0.797	-0.910	85.283	-0.016	-0.016	0.000	0.000	0.000	0.000
511	B	3037	LEU	0	-0.067	-0.041	88.911	0.000	0.000	0.000	0.000	0.000	0.000
512	B	3038	ASN	0	0.044	0.019	88.856	0.000	0.000	0.000	0.000	0.000	0.000
513	B	3039	GLU	-1	-0.802	-0.876	92.830	-0.013	-0.013	0.000	0.000	0.000	0.000
514	B	3040	ASP	-1	-0.906	-0.951	96.546	-0.010	-0.010	0.000	0.000	0.000	0.000
515	B	3041	ILE	0	0.020	0.005	92.598	0.000	0.000	0.000	0.000	0.000	0.000
516	B	3042	LYS	1	0.862	0.924	96.817	0.011	0.011	0.000	0.000	0.000	0.000
517	B	3043	PRO	0	0.030	-0.010	100.178	0.000	0.000	0.000	0.000	0.000	0.000
518	B	3044	ARG	1	0.839	0.903	101.876	0.008	0.008	0.000	0.000	0.000	0.000
519	B	3045	VAL	0	-0.002	0.025	98.477	0.000	0.000	0.000	0.000	0.000	0.000
520	B	3046	LEU	0	-0.013	-0.005	98.990	0.000	0.000	0.000	0.000	0.000	0.000
521	B	3047	ILE	0	-0.017	0.006	92.989	0.000	0.000	0.000	0.000	0.000	0.000
522	B	3048	ALA	0	0.019	0.019	92.189	0.000	0.000	0.000	0.000	0.000	0.000
523	B	3049	ALA	0	0.001	-0.014	88.706	0.000	0.000	0.000	0.000	0.000	0.000
524	B	3050	SER	0	-0.016	-0.010	84.877	0.000	0.000	0.000	0.000	0.000	0.000
525	B	3051	ASN	0	-0.017	-0.019	80.356	0.000	0.000	0.000	0.000	0.000	0.000
526	B	3052	LEU	0	-0.008	0.007	81.792	-0.001	-0.001	0.000	0.000	0.000	0.000
527	B	3053	GLN	0	-0.002	0.002	77.176	0.000	0.000	0.000	0.000	0.000	0.000
528	B	3054	TRP	0	0.062	0.012	77.578	0.000	0.000	0.000	0.000	0.000	0.000
529	B	3055	ARG	1	0.853	0.918	78.587	0.012	0.012	0.000	0.000	0.000	0.000
530	B	3056	PRO	0	0.017	0.011	78.246	0.000	0.000	0.000	0.000	0.000	0.000
531	B	3057	GLU	-1	-0.760	-0.837	81.344	-0.013	-0.013	0.000	0.000	0.000	0.000
532	B	3058	SER	0	0.059	0.029	84.819	0.000	0.000	0.000	0.000	0.000	0.000
533	B	3059	THR	0	-0.042	-0.020	85.777	0.000	0.000	0.000	0.000	0.000	0.000
534	B	3060	SER	0	-0.078	-0.061	87.070	0.000	0.000	0.000	0.000	0.000	0.000
535	B	3061	ARG	1	0.899	0.941	89.564	0.011	0.011	0.000	0.000	0.000	0.000
536	B	3062	VAL	0	0.005	-0.005	91.858	0.000	0.000	0.000	0.000	0.000	0.000
537	B	3063	PRO	0	-0.004	0.019	87.767	-0.001	-0.001	0.000	0.000	0.000	0.000
538	B	3064	THR	0	-0.052	-0.040	85.202	0.000	0.000	0.000	0.000	0.000	0.000
539	B	3065	LEU	0	0.000	0.008	84.270	0.000	0.000	0.000	0.000	0.000	0.000
540	B	3066	PHE	0	-0.043	-0.030	80.220	0.000	0.000	0.000	0.000	0.000	0.000
541	B	3067	ALA	0	0.054	0.035	83.132	0.000	0.000	0.000	0.000	0.000	0.000
542	B	3068	GLY	0	0.063	0.026	80.223	-0.001	-0.001	0.000	0.000	0.000	0.000
543	B	3069	ASN	0	-0.019	-0.017	78.191	0.000	0.000	0.000	0.000	0.000	0.000
544	B	3070	PHE	0	-0.003	-0.003	74.224	0.000	0.000	0.000	0.000	0.000	0.000
545	B	3071	SER	0	-0.028	-0.010	80.113	0.001	0.001	0.000	0.000	0.000	0.000
546	B	3072	VAL	0	-0.008	-0.008	83.523	0.000	0.000	0.000	0.000	0.000	0.000
547	B	3073	PHE	0	0.041	0.006	86.654	0.000	0.000	0.000	0.000	0.000	0.000
548	B	3074	SER	0	-0.003	-0.007	90.400	0.000	0.000	0.000	0.000	0.000	0.000
549	B	3075	ALA	0	0.041	0.023	93.484	0.000	0.000	0.000	0.000	0.000	0.000
550	B	3076	SER	0	0.023	0.013	96.109	0.001	0.001	0.000	0.000	0.000	0.000
551	B	3077	PRO	0	-0.053	-0.012	92.708	0.000	0.000	0.000	0.000	0.000	0.000
552	B	3078	LYS	1	0.878	0.915	87.808	0.009	0.009	0.000	0.000	0.000	0.000
553	B	3079	GLU	-1	-0.840	-0.891	88.168	-0.009	-0.009	0.000	0.000	0.000	0.000
554	B	3080	ALA	0	0.048	0.016	91.009	0.000	0.000	0.000	0.000	0.000	0.000
555	B	3081	HIS	0	0.101	0.044	87.072	0.000	0.000	0.000	0.000	0.000	0.000
556	B	3082	PHE	0	-0.017	-0.011	87.224	0.000	0.000	0.000	0.000	0.000	0.000
557	B	3083	GLN	0	0.016	0.010	92.852	0.000	0.000	0.000	0.000	0.000	0.000
558	B	3084	GLU	-1	-0.900	-0.936	94.340	-0.004	-0.004	0.000	0.000	0.000	0.000
559	B	3085	ARG	1	0.803	0.853	93.927	0.006	0.006	0.000	0.000	0.000	0.000
560	B	3086	VAL	0	-0.010	-0.013	96.315	0.000	0.000	0.000	0.000	0.000	0.000
561	B	3087	THR	0	-0.029	-0.022	98.025	0.000	0.000	0.000	0.000	0.000	0.000
562	B	3088	ASN	0	-0.018	-0.010	98.833	0.000	0.000	0.000	0.000	0.000	0.000
563	B	3089	MET	0	-0.016	0.013	97.905	0.000	0.000	0.000	0.000	0.000	0.000
564	B	3090	LYS	1	0.809	0.881	100.646	0.006	0.006	0.000	0.000	0.000	0.000
565	B	3091	HIS	0	0.027	0.025	103.385	0.000	0.000	0.000	0.000	0.000	0.000
566	B	3092	ALA	0	-0.004	0.007	102.703	0.000	0.000	0.000	0.000	0.000	0.000
567	B	3093	ILE	0	-0.033	-0.017	103.614	0.000	0.000	0.000	0.000	0.000	0.000
568	B	3094	GLU	-1	-0.771	-0.878	105.552	-0.006	-0.006	0.000	0.000	0.000	0.000
569	B	3095	ASN	0	-0.096	-0.056	108.293	0.000	0.000	0.000	0.000	0.000	0.000
570	B	3096	ILE	0	0.000	0.008	105.795	0.000	0.000	0.000	0.000	0.000	0.000
571	B	3097	ASP	-1	-0.752	-0.884	108.354	-0.007	-0.007	0.000	0.000	0.000	0.000
572	B	3098	THR	0	-0.036	-0.005	110.557	0.000	0.000	0.000	0.000	0.000	0.000
573	B	3099	PHE	0	-0.015	-0.016	110.719	0.000	0.000	0.000	0.000	0.000	0.000
574	B	3100	TYR	0	-0.058	-0.031	101.452	0.000	0.000	0.000	0.000	0.000	0.000
575	B	3101	LYS	1	0.851	0.913	105.136	0.007	0.007	0.000	0.000	0.000	0.000
576	B	3102	GLU	-1	-0.808	-0.893	106.640	-0.008	-0.008	0.000	0.000	0.000	0.000
577	B	3103	ALA	0	0.014	0.017	108.343	0.000	0.000	0.000	0.000	0.000	0.000
578	B	3104	GLU	-1	-0.778	-0.894	102.338	-0.009	-0.009	0.000	0.000	0.000	0.000
579	B	3105	LYS	1	0.806	0.887	103.681	0.008	0.008	0.000	0.000	0.000	0.000
580	B	3106	LYS	1	0.876	0.936	104.863	0.008	0.008	0.000	0.000	0.000	0.000
581	B	3107	LEU	0	0.029	0.022	100.545	0.000	0.000	0.000	0.000	0.000	0.000
582	B	3108	ILE	0	0.001	-0.010	98.144	0.000	0.000	0.000	0.000	0.000	0.000
583	B	3109	GLN	0	0.011	0.011	100.625	0.000	0.000	0.000	0.000	0.000	0.000
584	B	3110	VAL	0	-0.021	-0.018	102.537	0.000	0.000	0.000	0.000	0.000	0.000
585	B	3111	LEU	0	0.011	0.026	96.603	0.000	0.000	0.000	0.000	0.000	0.000
586	B	3112	LYS	1	0.791	0.901	96.767	0.010	0.010	0.000	0.000	0.000	0.000
587	B	3113	GLY	0	-0.024	-0.003	98.724	0.000	0.000	0.000	0.000	0.000	0.000
588	B	3114	ASP	-1	-0.898	-0.953	95.787	-0.010	-0.010	0.000	0.000	0.000	0.000
589	B	3115	SER	0	-0.034	-0.002	98.350	0.000	0.000	0.000	0.000	0.000	0.000
590	B	3116	PRO	0	0.061	0.044	98.281	0.000	0.000	0.000	0.000	0.000	0.000
591	B	3117	LYS	1	0.906	0.945	100.296	0.011	0.011	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(B:2403:PHE)