*HEADER    OXYGEN STORAGE/TRANSPORT                28-FEB-02   1L3O              
*TITLE     SOLUTION STRUCTURE DETERMINATION OF THE FULLY OXIDIZED                
*TITLE    2 DOUBLE MUTANT K9-10A CYTOCHROME C7 FROM DESULFUROMONAS               
*TITLE    3 ACETOXIDANS, ENSEMBLE OF 35 STRUCTURES                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C7;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYTOCHROME C3, CYTOCHROME C551.5;                           
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: DESULFOVIBRIO DESULFURICANS;                      
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: G201                                       
*KEYWDS    AUTOMATIC ASSIGNMENT, CYTOCHROME C7, ELECTRON TRANSFER,               
*KEYWDS   2 MULTIHEME CYTOCHROMES, NMR SOLUTION STRUCTURES                       
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    M.ASSFALG, I.BERTINI, P.TURANO, M.BRUSCHI, M.C.DURAND,                
*AUTHOR   2 M.T.GIUDICI-ORTICONI, A.DOLLA                                        
*REVDAT   1   13-MAR-02 1L3O    0                                                
Table S1. Experimental NOESY cross peak intensities (last column) and corresponding upper distance limits (5th column, ?). Heme I, III, and IV are called HEM 69, 70, 71, respectively. 						
						
						
1 ALA						
	HA	4	VAL	QG2	6.5	871
2 ASP-						
	HN	2	ASP-	HA	5.5	314.3
	HN	2	ASP-	HB3	5.5	111.3
	HN	3	VAL	HN	5.5	571.2
	HA	2	ASP-	HB2	3.7	7448
	HA	2	ASP-	HB3	3.7	6465.9
	HA	3	VAL	HN	4.4	2289.7
	HA	3	VAL	QG2	6.5	1122.8
	HA	17	HIS	HN	4.7	1148.7
	HA	17	HIS	HB2	4.9	1488.9
	HA	17	HIS	HB3	4	5384.4
	HA	18	LYS+	HN	3.4	9228
	HA	18	LYS+	HA	4.4	1711.5
	HA	18	LYS+	HB2	3.8	6917
	HA	18	LYS+	HB3	4.2	3872
	HA	18	LYS+	HG3	5.4	901.6
	HA	18	LYS+	QD	6.5	460.2
	HA	19	ALA	HN	5.5	423
	HB2	3	VAL	HN	5.5	128.8
	HB2	18	LYS+	HB2	4.3	3391
	HB3	3	VAL	HN	4	4455.5
	HB3	3	VAL	QG2	6.4	3268.3
3 VAL						
	HN	3	VAL	HA	3.8	6346.2
	HN	3	VAL	HB	3.4	1116
	HN	3	VAL	QG1	6.2	2169.3
	HN	3	VAL	QG2	5	6217.4
	HN	4	VAL	HN	4.5	2050
	HN	4	VAL	QG2	6.5	786
	HN	16	ASP-	HA	5.5	378
	HN	17	HIS	HN	5.5	359.8
	HN	18	LYS+	HN	5.1	734
	HA	3	VAL	HB	4.1	3976
	HA	3	VAL	QG1	4.4	2397
	HA	3	VAL	QG2	4.5	654
	HA	4	VAL	HN	2.7	7020
	HA	4	VAL	HB	4.8	1433
	HA	4	VAL	QG2	6.5	2477
	HA	16	ASP-	HA	3	216
	HA	16	ASP-	HB3	5.5	302.4
	HA	17	HIS	HN	3.2	2950
	HA	17	HIS	HB2	5.5	585.9
	HB	3	VAL	QG1	4	8333
	HB	3	VAL	QG2	4.1	6989
	HB	4	VAL	HN	5.3	801
	HB	16	ASP-	HA	5.5	319.2
	QG1	4	VAL	HN	5.7	7097
	QG1	14	THR	QG2	5.8	90
	QG1	15	PHE	HN	6.2	3986
	QG1	16	ASP-	HA	6.5	2720.9
	QG1	17	HIS	HN	6.5	956.9
	QG2	4	VAL	HN	6.5	3097
	QG2	14	THR	QG2	7.2	4227.3
	QG2	16	ASP-	HA	5.5	8547
	QG2	16	ASP-	HB3	6.5	741.3
	QG2	17	HIS	HN	6.5	1915.2
	QG2	18	LYS+	HN	6.5	1098
4 VAL						
	HN	4	VAL	HB	3.5	9856
	HN	4	VAL	QG1	6.5	1177
	HN	4	VAL	QG2	5.1	5961
	HN	5	THR	HN	5.5	231
	HN	15	PHE	HB2	5.5	685
	HN	15	PHE	HB3	5.5	144
	HN	16	ASP-	HA	3.8	4150
	HN	17	HIS	HN	3.8	4278
	HN	17	HIS	HB2	5.5	67
	HN	17	HIS	HB3	5.5	271
	HN	18	LYS+	HN	5.5	267
	HB	4	VAL	QG1	4	9970
	HB	4	VAL	QG2	3.4	1580
	HB	5	THR	HN	5.3	793
	HB	6	TYR	CZ	7.5	409
	HB	15	PHE	HN	4.4	2849
	HB	15	PHE	HB2	3.6	320
	HB	15	PHE	HB3	4.4	2882
	HB	15	PHE	CG	7.5	197
	HB	69	HEM	HB63	5.5	728
	QG1	5	THR	HN	5.5	9019
	QG1	5	THR	HA	6.5	1115
	QG1	5	THR	HB	6.5	1124
	QG1	6	TYR	HN	6.5	938
	QG1	6	TYR	CG	8.5	351
	QG1	6	TYR	CZ	8.5	1526
	QG1	15	PHE	HN	6.5	573
	QG1	15	PHE	HB2	6.5	575
	QG1	15	PHE	CG	8.5	1043
	QG1	15	PHE	CZ	8.5	466
	QG1	69	HEM	HB63	6.2	4035
	QG2	5	THR	HN	6.5	677
	QG2	6	TYR	HB2	5.8	6403
	QG2	6	TYR	CZ	8.5	84.5
	QG2	15	PHE	HN	6.5	272
	QG2	15	PHE	HB2	6.5	364
	QG2	15	PHE	CG	8.5	45.5
	QG2	17	HIS	HN	6.5	653
	QG2	17	HIS	HB2	6.5	2663
	QG2	17	HIS	HB3	6.5	717
	QG2	18	LYS+	HN	6.5	288
	QG2	69	HEM	HB63	5.7	7100
	QG2	69	HEM	HB64	6.3	3837
5 THR						
	HN	5	THR	HA	4.5	2170
	HN	5	THR	HB	3.8	6116
	HN	5	THR	QG2	6	2513
	HN	6	TYR	HN	5.5	465
	HA	5	THR	HB	4.2	3113
	HA	5	THR	QG2	4.5	1240
	HA	6	TYR	HN	3.1	9130
	HA	6	TYR	HB2	5.2	890
	HA	6	TYR	HB3	5.5	131
	HA	6	TYR	CG	7.5	148.5
	HA	13	VAL	HN	5.5	328
	HA	14	THR	HN	5.1	777
	HA	14	THR	HA	3.9	3515
	HA	14	THR	QG2	6.5	2455
	HA	15	PHE	HN	4.2	2443
	HB	5	THR	QG2	4.2	5840
	HB	6	TYR	HN	5	1148
	HB	7	GLU-	HG2	5.5	591
	QG2	6	TYR	HN	5.7	7204
	QG2	7	GLU-	HN	6.5	1569
	QG2	7	GLU-	HG2	6.5	1685
	QG2	7	GLU-	HG3	6.4	3432
	QG2	12	ASN	HA	6.1	4583
	QG2	12	ASN	HB2	5.6	7941
	QG2	12	ASN	HB3	5.2	1740
	QG2	12	ASN	HD21	6.1	4497
	QG2	12	ASN	HD22	6.4	3298
	QG2	13	VAL	HN	6.5	2574
	QG2	14	THR	HA	5.8	5913
6 TYR						
	HN	6	TYR	HA	3.8	6003
	HN	6	TYR	HB2	3.5	9013
	HN	6	TYR	HB3	3.9	4904
	HN	6	TYR	CG	6	3890.5
	HN	6	TYR	CZ	6.5	436
	HN	7	GLU-	HN	5.5	246
	HN	12	ASN	HA	5.2	697
	HN	12	ASN	HB3	5.5	323
	HN	13	VAL	HN	3.4	8061
	HN	13	VAL	HA	5.5	473
	HN	13	VAL	QG1	6.5	3229
	HN	13	VAL	QG2	6.5	799
	HN	14	THR	HN	4.5	1577
	HN	14	THR	HA	4.7	1225
	HN	14	THR	QG2	6.5	456
	HN	15	PHE	HN	4.1	2654
	HA	6	TYR	CG	4.6	6235
	HA	7	GLU-	HN	5.1	1002
	HB2	6	TYR	CG	5.2	9700
	HB2	6	TYR	CZ	7.5	450.5
	HB2	7	GLU-	HN	5.5	301
	HB2	8	ASN	HD21	5	1454
	HB2	8	ASN	HD22	5.5	265
	HB2	13	VAL	HN	4	5462
	HB2	13	VAL	HA	5.5	292
	HB2	13	VAL	HB	5.5	169
	HB2	71	HEM	HA61	5.5	40
	HB2	71	HEM	HB63	4.8	1794
	HB2	71	HEM	HB64	5.5	669
	HB3	6	TYR	CG	5.3	8280
	HB3	6	TYR	CZ	7.5	292.5
	HB3	7	GLU-	HN	5.3	751
	HB3	8	ASN	HD21	5.1	1191
	HB3	8	ASN	HD22	5.5	680
	HB3	12	ASN	HB3	4.5	2546
	HB3	13	VAL	HB	5.5	238
	HB3	39	ILE	QG2	6.5	1156
	HB3	71	HEM	HA61	5.5	170
	HB3	71	HEM	HA62	5.2	1161
	HB3	71	HEM	HB63	3.8	7477
	HB3	71	HEM	HB64	3.5	2130
	CG	6	TYR	CZ	8.5	2415.5
	CG	7	GLU-	HN	7.5	480.5
	CG	7	GLU-	HG3	6.4	2924
	CG	12	ASN	HA	7.5	710
	CG	13	VAL	HN	7.5	666
	CG	13	VAL	QG1	8.5	2009.5
	CG	13	VAL	QG2	8.5	1636
	CG	15	PHE	HN	7.4	863
	CG	15	PHE	HB2	7.5	161
	CG	15	PHE	HB3	7.5	770.5
	CG	39	ILE	HB	7.5	463
	CG	70	HEM	QM1	8.5	220
	CG	70	HEM	QT2	8.5	168
	CZ	13	VAL	QG1	8.5	104.5
	CZ	13	VAL	QG2	8.5	125
	CZ	15	PHE	HB3	6.2	4014
	CZ	15	PHE	CZ	9.5	288.5
	CZ	15	PHE	HZ	6.6	2358
	CZ	69	HEM	HB63	7.5	211.5
	CZ	39	ILE	HN	7.5	292
	CZ	39	ILE	HB	6.7	1928.5
	CZ	39	ILE	QG2	8.5	1363
	CZ	39	ILE	HG12	7.5	307.5
	CZ	39	ILE	HG13	7.5	495
	CZ	39	ILE	QD1	8.5	266.5
	CZ	70	HEM	QM1	8.5	719
	CZ	70	HEM	QT2	8.5	2493.5
7 GLU-						
	HN	7	GLU-	HA	4.4	2320.5
	HN	7	GLU-	HB2	3.7	7210
	HN	7	GLU-	HB3	4	4525.5
	HN	7	GLU-	HG2	5	1591.8
	HN	7	GLU-	HG3	3.9	4639.6
	HN	13	VAL	HN	5.5	47.6
	HA	7	GLU-	HB2	3.6	7609
	HA	7	GLU-	HB3	3.7	6498.1
	HA	7	GLU-	HG2	3.7	5652.5
	HA	7	GLU-	HG3	4.5	2579.5
	HA	8	ASN	HN	3.2	8210
	HA	8	ASN	HD21	4.7	1922
	HA	8	ASN	HD22	5.5	151
	HA	12	ASN	HA	3.4	8321
	HA	12	ASN	HB3	4.4	3196
	HA	12	ASN	HD21	5.5	671.3
	HA	12	ASN	HD22	5.5	140.7
	HA	13	VAL	HN	5.1	714.7
	HB2	7	GLU-	HG2	2.9	5645
	HB2	7	GLU-	HG3	3.5	6864.2
	HB2	8	ASN	HN	5.2	859
	HB3	7	GLU-	HG2	2.8	7892
	HB3	7	GLU-	HG3	3.6	6248.2
	HB3	8	ASN	HN	4.7	1527
	HG2	12	ASN	HD21	4.8	1734.6
	HG2	12	ASN	HD22	4.5	2685.2
	HG3	12	ASN	HD22	5.5	376.6
8 ASN						
	HN	8	ASN	HA	5.5	433
	HN	8	ASN	HB2	5.5	603
	HN	8	ASN	HB3	4.9	1268
	HN	8	ASN	HD21	4.4	2764
	HN	8	ASN	HD22	5.1	1539
	HN	10	ALA	HN	4.7	3425
	HN	11	GLY	HN	4.5	4053
	HN	12	ASN	HN	5.5	237
	HN	12	ASN	HA	4.4	4514
	HN	13	VAL	HN	4.8	1040
	HA	8	ASN	HB2	3.5	9917
	HA	8	ASN	HB3	3.1	9200
	HA	8	ASN	HD21	5.5	221
	HA	9	ALA	HN	4.6	1855
	HA	9	ALA	QB	4.9	1718
	HA	71	HEM	HB74	5.2	1075
	HB2	8	ASN	HD21	3.7	5460
	HB2	8	ASN	HD22	4.3	2909
	HB2	9	ALA	HN	3.7	7024
	HB2	10	ALA	HN	5.5	574
	HB2	71	HEM	HB73	5.5	233
	HB2	71	HEM	HB74	4.1	4467
	HB2	71	HEM	HB63	5.4	876
	HB2	71	HEM	HB64	4.2	3971
	HB3	8	ASN	HD21	3.3	9001
	HB3	8	ASN	HD22	5.3	1292
	HB3	9	ALA	HN	3.4	1430
	HB3	10	ALA	HN	4.9	2488
	HB3	11	GLY	HN	5.5	35
	HB3	71	HEM	HB73	5.2	1101
	HB3	71	HEM	HB74	3.6	510
	HB3	71	HEM	HA62	5.5	361
	HD21	11	GLY	HN	5.5	514
	HD21	12	ASN	HA	3.9	6479
	HD21	13	VAL	HN	3.9	6130
	HD21	13	VAL	HB	5.2	1097
	HD21	13	VAL	QG1	6.5	602
	HD21	71	HEM	HB74	5.2	1130
	HD21	71	HEM	QM5	6.5	509.3
	HD21	71	HEM	HB63	5.5	670
	HD22	11	GLY	HN	5.4	918
	HD22	12	ASN	HA	3.9	6519
	HD22	13	VAL	HN	4.3	3661
	HD22	13	VAL	HB	4.7	2092.2
	HD22	13	VAL	QG1	6.5	363
	HD22	71	HEM	QM5	6.5	258.3
	HD22	71	HEM	HB63	5.5	574
	HD22	71	HEM	HB64	5.5	782.7
9 ALA						
	HN	9	ALA	HA	3.9	5041
	HN	9	ALA	QB	3.3	1760
	HN	10	ALA	HN	3.9	4992
	HN	11	GLY	HN	5	2307
	HN	71	HEM	HB73	4.8	1779
	HN	71	HEM	HB74	4.3	3660
	HA	9	ALA	QB	3.3	9510
	HA	10	ALA	HN	4.3	2849
	HA	11	GLY	HN	5.5	819
	QB	10	ALA	HN	4.2	4384
	QB	11	GLY	HN	5.3	887
	QB	71	HEM	HB73	6.5	2154
	QB	71	HEM	HB74	6.5	1089
10 ALA						
	HN	10	ALA	HA	4.1	3747
	HN	10	ALA	QB	4.2	4444
	HN	11	GLY	HN	3.2	7600
	HN	11	GLY	HA1	5.5	433
	HN	71	HEM	HB73	4.1	4628
	HN	71	HEM	HB74	4.2	3752
	QB	11	GLY	HN	5.6	806
	QB	71	HEM	HB74	6.5	645
	QB	71	HEM	QM8	5.8	6114
	QB	71	HEM	QM1	6.5	445
11 GLY						
	HN	11	GLY	HA1	3.3	3250
	HN	11	GLY	HA2	3.7	7456
	HN	12	ASN	HN	4.4	2464
	HN	71	HEM	HB3	5.5	417
	HN	71	HEM	HB74	5.5	235
	HA1	12	ASN	HN	3.1	9750
	HA1	12	ASN	HA	5.5	542
	HA1	71	HEM	HA	5.4	526
	HA1	71	HEM	HB2	5.5	221
	HA1	71	HEM	HB3	4.2	3954
	HA1	67	ILE	HN	4.6	1387
	HA1	67	ILE	HG12	4.5	2738
	HA2	12	ASN	HN	3.4	1500
	HA2	12	ASN	HA	5.3	761
	HA2	71	HEM	HA	4.7	1141
	HA2	71	HEM	HB2	4.9	1532
	HA2	71	HEM	HB3	3.8	7169
	HA2	67	ILE	HN	4.5	1490
	HA2	68	LYS+	HA	5.5	350
	HA2	68	LYS+	HB2	5.5	219
12 ASN						
	HN	12	ASN	HA	3.8	6199
	HN	12	ASN	HB2	3.6	7554
	HN	12	ASN	HB3	4.2	3309
	HN	12	ASN	HD21	5.5	914
	HN	12	ASN	HD22	5.5	258
	HN	13	VAL	HN	5	1106
	HN	71	HEM	HA	4.6	1411
	HA	12	ASN	HB2	3.8	5950
	HA	12	ASN	HB3	3.6	7798
	HA	12	ASN	HD21	4.6	2344
	HA	13	VAL	HN	2.8	4400
	HA	13	VAL	QG1	6.5	2958
	HB2	12	ASN	HD21	3.6	5832
	HB2	12	ASN	HD22	4.3	2953
	HB2	13	VAL	HN	4.1	3897
	HB3	12	ASN	HD21	3.9	4320
	HB3	12	ASN	HD22	4.5	2494
	HB3	13	VAL	HN	3.8	5839
	HD21	13	VAL	HN	5.5	538.3
13 VAL						
	HN	13	VAL	HA	3.8	6111
	HN	13	VAL	HB	4.3	2923
	HN	13	VAL	QG1	4.5	860
	HN	13	VAL	QG2	6.3	2031.4
	HN	14	THR	HN	4.5	2123
	HN	71	HEM	HA	4.9	992
	HN	71	HEM	QM5	6.5	668
	HN	67	ILE	HN	5.5	226
	HA	13	VAL	HB	4.1	3774
	HA	13	VAL	QG1	5.6	3657
	HA	13	VAL	QG2	4.2	5630
	HA	14	THR	HN	2.8	5890
	HA	14	THR	HA	5.5	86
	HA	14	THR	HB	4.7	1630
	HA	71	HEM	HA	3.8	4482
	HA	67	ILE	HN	4.3	2133
	HB	13	VAL	QG1	5.7	3208
	HB	13	VAL	QG2	5	6546
	HB	71	HEM	HA	4.4	2854
	HB	71	HEM	QM5	6.5	2549.4
	HB	67	ILE	HN	5.4	826
	QG1	14	THR	HN	6.5	220
	QG1	15	PHE	CZ	8.5	3010.5
	QG1	71	HEM	QM5	5.1	3496.7
	QG1	71	HEM	HB63	6.5	320
	QG1	71	HEM	HB64	6.5	428
	QG2	14	THR	HN	5.2	2360
	QG2	15	PHE	HN	6.5	1090
	QG2	15	PHE	CG	8.5	86.8
	QG2	15	PHE	CZ	8.5	2202
	QG2	70	HEM	QM8	6.5	879.2
	QG2	70	HEM	QM1	5	5633
	QG2	65	CYSS	HA	6.5	1992.9
	QG2	65	CYSS	HB2	6.5	3129.7
	QG2	65	CYSS	HB3	6.5	630
	QG2	71	HEM	HA	6.5	997
	QG2	71	HEM	QM5	5.2	1972.1
14 THR						
	HN	14	THR	HA	4	4497
	HN	14	THR	HB	3.4	2070
	HN	14	THR	QG2	5.1	5554
	HN	15	PHE	HN	3.4	1360
	HA	14	THR	HB	3.9	5384
	HA	14	THR	QG2	4.5	1333
	HA	15	PHE	HN	2.9	7590
	HA	15	PHE	HB2	4.4	2421
	HB	14	THR	QG2	3.6	3270
	HB	15	PHE	HN	4.8	1344
	HB	70	HEM	QM8	6.5	287
	QG2	15	PHE	HN	5.4	9346
	QG2	16	ASP-	HA	6.5	700.7
	QG2	16	ASP-	HB3	6.5	1932
15 PHE						
	HN	15	PHE	HA	4.2	3280
	HN	15	PHE	HB2	3.5	9912
	HN	15	PHE	HB3	3.8	6384
	HN	15	PHE	CG	7.5	679.5
	HN	16	ASP-	HN	5.5	445
	HA	15	PHE	HB2	4.9	1240
	HA	15	PHE	HB3	4.7	1707
	HA	16	ASP-	HN	3.9	5142.2
	HA	16	ASP-	HB3	5.5	239.4
	HB2	15	PHE	CG	7.1	1551
	HB2	15	PHE	CZ	7.5	188
	HB3	15	PHE	CG	6.7	2151
	HB3	15	PHE	CZ	7.5	1118.5
	HB3	70	HEM	QM1	6.5	2746
	CG	15	PHE	CZ	9.1	1464
	CG	15	PHE	HZ	7.5	1025.2
	CG	69	HEM	QM5	8.5	112.5
	CG	39	ILE	HB	7	1476
	CG	39	ILE	QG2	8.5	749
	CG	39	ILE	HG12	7.5	183
	CG	39	ILE	HG13	7.5	304.5
	CG	39	ILE	QD1	8.5	171
	CG	70	HEM	QM1	8.5	454
	CG	70	HEM	QT2	8.5	1511.5
	CG	71	HEM	QM5	8.5	1031.5
	CZ	39	ILE	QG2	8.5	425
	CZ	70	HEM	QM1	8.5	309.5
	CZ	70	HEM	QT2	8.5	180
	CZ	71	HEM	QM5	8.5	2571.5
	CZ	71	HEM	HB63	7.5	267
	HZ	39	ILE	QG2	6.5	1080
16 ASP-						
	HN	16	ASP-	HA	4.1	3773
	HN	16	ASP-	HB2	4.6	1913.8
	HN	16	ASP-	HB3	3.9	4746
	HN	17	HIS	HN	4.8	1462.3
	HN	69	HEM	QM3	6.5	546.2
	HA	16	ASP-	HB2	4.6	1967
	HA	16	ASP-	HB3	3.6	8680
	HA	17	HIS	HN	2.9	1633
	HA	17	HIS	HA	5.5	200.2
	HA	17	HIS	HB2	4.7	1590.4
	HA	18	LYS+	HN	3.8	2380
	HA	19	ALA	HN	5.5	593
	HB2	17	HIS	HN	5.5	238.7
	HB2	19	ALA	HN	5.5	51
	HB2	19	ALA	QB	5.5	8679
	HB3	17	HIS	HN	4.8	1454.6
	HB3	19	ALA	HN	5.5	472
	HB3	19	ALA	QB	6.1	4761
17 HIS						
	HN	17	HIS	HA	4.1	3516.1
	HN	17	HIS	HB2	3.7	7392
	HN	17	HIS	HB3	3.5	115
	HN	18	LYS+	HN	3.3	5190
	HN	18	LYS+	HB2	5.1	1039
	HN	19	ALA	HN	5.5	1138
	HA	17	HIS	HB2	4.1	3920
	HA	17	HIS	HB3	4.5	2056.6
	HA	18	LYS+	HN	4.4	2333
	HA	19	ALA	HN	5.5	76
	HA	20	HIS	HN	5.5	1076.7
	HA	20	HIS	HB2	5.5	1210.3
	HA	21	ALA	HN	5.5	312.9
	HB2	18	LYS+	HN	3.3	2800
18 LYS+						
	HN	18	LYS+	HA	3.3	2700
	HN	18	LYS+	HB2	3.2	5730
	HN	18	LYS+	HB3	3.2	5830
	HN	18	LYS+	HG2	5.5	958
	HN	18	LYS+	HG3	5.5	1021
	HN	18	LYS+	QD	6.5	824
	HN	19	ALA	HN	3.5	600
	HN	19	ALA	HA	5.5	280
	HN	19	ALA	QB	6	505
	HN	20	HIS	HN	5	2127
	HN	21	ALA	HN	5.5	236
	HN	21	ALA	QB	6	409
	HN	22	GLU-	HG3	5.5	213
	HA	18	LYS+	HB2	3.2	8150
	HA	18	LYS+	HB3	3.6	8711
	HA	18	LYS+	HG2	4.1	3565.8
	HA	18	LYS+	HG3	3.3	8223.6
	HA	18	LYS+	QD	6.4	1175.3
	HA	19	ALA	HN	4.4	2505
	HA	20	HIS	HN	5.5	179.9
	HA	21	ALA	HN	5.2	1769.6
	HA	21	ALA	QB	3.8	7154
	HA	22	GLU-	HN	5.5	229.6
	HB2	18	LYS+	HG2	3.4	7368
	HB2	18	LYS+	HG3	3.2	440
	HB2	18	LYS+	QD	4.5	7065
	HB2	18	LYS+	QE	6.5	822
	HB2	19	ALA	HN	3.9	5265
	HB3	18	LYS+	HG2	2.8	7600
	HB3	18	LYS+	HG3	3.2	80
	HB3	18	LYS+	QD	4.9	4255
	HB3	19	ALA	HN	3.4	1660
	HB3	19	ALA	QB	6.5	1128
	HG2	18	LYS+	QD	4.4	7598.5
	HG2	18	LYS+	QE	6.5	832.3
	HG2	19	ALA	HN	4.9	1611
	HG3	18	LYS+	QD	4.4	7717.5
	HG3	18	LYS+	QE	6.5	665.7
	HG3	19	ALA	HN	5.5	583
	QD	18	LYS+	QE	6.3	2929.5
	QD	19	ALA	HN	6.5	295.5
	QE	22	GLU-	HG3	6.5	743.8
19 ALA						
	HN	19	ALA	HA	3.5	130
	HN	19	ALA	QB	3.3	5420
	HN	20	HIS	HN	3.5	9595
	HN	20	HIS	HA	5.5	261
	HN	20	HIS	HB2	5.5	601
	HN	21	ALA	HN	4.9	2437
	HN	22	GLU-	HN	5.5	199
	HA	19	ALA	QB	3.3	4140
	HA	20	HIS	HN	4.5	1998
	HA	21	ALA	HN	5.5	542
	HA	22	GLU-	HN	4.6	3882
	HA	22	GLU-	HB2	3.2	4800
	HA	22	GLU-	HB3	4.3	5301
	HA	22	GLU-	HG2	5.5	57
	HA	22	GLU-	HG3	5.2	1137
	HA	23	LYS+	HN	5.5	836.4
	QB	20	HIS	HN	3.6	2255
	QB	20	HIS	HB2	6.5	250
	QB	20	HIS	HB3	6.4	3457
20 HIS						
	HN	20	HIS	HA	4.5	2108.4
	HN	20	HIS	HB2	4.1	3927.7
	HN	20	HIS	HB3	5.5	500.5
	HN	21	ALA	HN	3.4	1130
	HN	21	ALA	QB	5.7	701.4
	HN	22	GLU-	HN	5.5	980.7
	HN	22	GLU-	HB2	5.5	273
	HN	69	HEM	QM3	6.5	251.6
	HA	20	HIS	HB2	5.5	175.7
	HA	21	ALA	HN	5.5	414.4
	HA	22	GLU-	HN	5.5	125.3
	HA	23	LYS+	HN	5.2	1786.4
	HA	23	LYS+	HB2	5.1	1979.6
	HA	23	LYS+	HG3	5.5	420
	HA	23	LYS+	HD3	5.3	999.6
	HA	24	LEU	HN	5.5	903.7
	HA	24	LEU	QD2	6.5	204.4
	HB2	21	ALA	HN	4.3	2841.3
	HB2	21	ALA	QB	6.5	107.1
	HB2	69	HEM	QM3	6.5	1025
	HB3	21	ALA	HN	5.5	353.5
	HB3	24	LEU	QD2	6.5	520.8
	HB3	69	HEM	QM3	6.5	1761.3
21 ALA						
	HN	21	ALA	HA	3.6	8204
	HN	21	ALA	QB	3.3	3079
	HN	22	GLU-	HN	3.7	7266
	HN	22	GLU-	HA	5.5	135.1
	HN	23	LYS+	HN	5.5	591.5
	HN	23	LYS+	HB2	5.5	532.7
	HN	69	HEM	HT2A	5.5	716.7
	HN	69	HEM	QT2	6.5	518.5
	HN	69	HEM	QM3	6.5	2654.4
	HA	21	ALA	QB	3.4	7360
	HA	22	GLU-	HN	4.2	3040.8
	HA	23	LYS+	HN	5.1	1918.7
	HA	24	LEU	HN	4.7	3082.8
	HA	24	LEU	HB2	4.7	3206
	HA	25	GLY	HN	4.5	4078.9
	HA	26	CYSS	HA	5.5	34.3
	HA	69	HEM	HT2A	4.1	4450
	HA	69	HEM	QT2	6.5	590.8
	HA	69	HEM	HAM	4.3	3381
	HA	69	HEM	QM3	4.4	2760
	QB	22	GLU-	HN	3.7	252.2
	QB	22	GLU-	HA	5.6	784.7
	QB	22	GLU-	HB2	6.5	297.5
	QB	22	GLU-	HB3	6.5	29.4
	QB	22	GLU-	HG2	6.5	491.4
	QB	22	GLU-	HG3	6.5	711.2
	QB	23	LYS+	HN	6.4	293.3
	QB	25	GLY	HN	6.2	341.6
	QB	26	CYSS	HN	6.5	51.8
	QB	26	CYSS	HA	6.5	1628.9
	QB	69	HEM	HT2A	5	5750
	QB	69	HEM	QT2	4.6	6964
	QB	69	HEM	HAM	5.2	2649
	QB	69	HEM	QM3	5.2	2469.8
22 GLU-						
	HN	22	GLU-	HA	3.5	9128
	HN	22	GLU-	HB2	3.3	3286
	HN	22	GLU-	HB3	3.7	6523.3
	HN	22	GLU-	HG2	3.5	7126
	HN	22	GLU-	HG3	4.2	3414.6
	HN	23	LYS+	HN	3.5	360
	HN	24	LEU	HN	5.5	553.7
	HA	22	GLU-	HB2	3.5	9177
	HA	22	GLU-	HB3	3.4	1823
	HA	22	GLU-	HG2	4.6	2209.2
	HA	22	GLU-	HG3	3.6	6314
	HA	23	LYS+	HN	4.4	2330.3
	HA	24	LEU	HN	5.5	166.6
	HA	69	HEM	QT2	6.5	289.1
	HB2	22	GLU-	HG2	2.6	3044
	HB2	22	GLU-	HG3	2.9	5386
	HB2	23	LYS+	HN	3.6	8904
	HB3	22	GLU-	HG2	3.6	6112.4
	HB3	23	LYS+	HN	4	4047.4
	HG2	23	LYS+	HN	5.5	424.9
23 LYS+						
	HN	23	LYS+	HA	3.6	7896
	HN	23	LYS+	HB2	3.5	9072
	HN	23	LYS+	HB3	3.5	9366
	HN	23	LYS+	HG2	4.7	2138.5
	HN	23	LYS+	HG3	3.7	5657.4
	HN	23	LYS+	HD3	4.6	2298.1
	HN	24	LEU	HN	3.2	8312
	HN	24	LEU	HA	5.5	249.9
	HN	24	LEU	HB2	5.2	910
	HN	24	LEU	QD2	6.5	275.8
	HN	25	GLY	HN	5.4	1341.2
	HA	23	LYS+	HB2	3.6	8386
	HA	23	LYS+	HB3	3.5	9793
	HA	23	LYS+	HG2	3.6	6220.9
	HA	23	LYS+	HG3	3.9	4230.1
	HA	23	LYS+	HD2	5.5	52.5
	HA	23	LYS+	HD3	4.9	1820
	HA	24	LEU	HN	4.6	1951.6
	HB2	23	LYS+	HG2	4.4	2675.4
	HB2	23	LYS+	HG3	3.3	8617
	HB2	23	LYS+	HD3	3.7	5579.7
	HB2	24	LEU	HN	3.9	4727.1
	HB2	24	LEU	HA	5.5	84.7
	HB3	23	LYS+	HG2	3.8	4678.1
	HB3	23	LYS+	HG3	3.3	8512
	HB3	23	LYS+	HD2	3.9	4277.7
	HB3	23	LYS+	HD3	3.8	4854.5
	HB3	24	LEU	HN	4	4137
	HB3	24	LEU	HA	5.5	151.2
	HB3	24	LEU	QD1	6.5	172.2
	HB3	24	LEU	QD2	6.5	200.9
	HG2	23	LYS+	HD2	5.1	1474.9
	HG2	23	LYS+	HD3	3.5	6497.4
	HG2	24	LEU	QD2	6.5	809.2
	HG3	23	LYS+	HD2	4.1	3560.2
	HG3	24	LEU	HN	5.4	846.3
24 LEU						
	HN	24	LEU	HA	3.8	5880
	HN	24	LEU	HB2	3.4	871
	HN	24	LEU	HB3	3.9	4661.3
	HN	24	LEU	HG	3.3	8288
	HN	24	LEU	QD1	6.5	1220.8
	HN	24	LEU	QD2	5.9	2739.8
	HN	25	GLY	HN	3.2	8151
	HN	25	GLY	HA1	5.2	879.9
	HN	69	HEM	QM3	6.5	2916.9
	HA	24	LEU	HB2	3.6	8533
	HA	24	LEU	HB3	3.3	4728
	HA	24	LEU	HG	3.5	6612.9
	HA	24	LEU	QD1	6.5	1109.5
	HA	24	LEU	QD2	4	9040
	HA	25	GLY	HN	4.3	2883.3
	HA	28	ALA	QB	3.8	6383.3
	HB2	24	LEU	HG	4.2	3251.5
	HB2	24	LEU	QD1	5.5	3999.8
	HB2	24	LEU	QD2	4.6	9128
	HB2	25	GLY	HN	4	4499.6
	HB2	28	ALA	QB	5.7	6566
	HB2	69	HEM	QM3	5.2	1596.2
	HB3	24	LEU	HG	4.2	3203.2
	HB3	24	LEU	QD1	5.3	4918.9
	HB3	24	LEU	QD2	3.9	2995
	HB3	25	GLY	HN	4.4	2446.5
	HB3	28	ALA	HN	5.5	186.2
	HB3	28	ALA	QB	5.2	2173
	HB3	69	HEM	QM3	5.6	7499.1
	HB3	70	HEM	QT4	6.5	1412.6
	HG	24	LEU	QD1	5.7	3395.7
	HG	24	LEU	QD2	4.6	136
	HG	25	GLY	HN	5.5	767.9
	QD1	25	GLY	HN	6.5	662.2
	QD1	69	HEM	QM3	5.7	7077
	QD1	69	HEM	QT4	6.5	354.2
	QD1	70	HEM	QM3	6.5	954.6
	QD1	70	HEM	QT4	6.3	3759
	QD2	70	HEM	QT4	5.7	7231
	QD2	70	HEM	QM5	5.7	6955.2
25 GLY						
	HN	25	GLY	HA1	3.2	8382
	HN	25	GLY	HA2	3.4	794
	HN	26	CYSS	HN	4	4090.1
	HN	69	HEM	QT2	6.5	84.7
	HN	69	HEM	QM3	6.5	2033.6
	HA1	26	CYSS	HN	3.5	66
	HA1	26	CYSS	HA	5.3	766.5
	HA1	27	ASP-	HN	5.5	542.5
	HA1	28	ALA	HN	5.5	1251.6
	HA1	69	HEM	HT2A	4.6	2190
	HA2	26	CYSS	HN	3.5	9240
	HA2	27	ASP-	HN	5.5	681.8
	HA2	28	ALA	HN	5.5	525
26 CYSS						
	HN	26	CYSS	HA	3.7	6489.7
	HN	26	CYSS	HB2	3.6	8526
	HN	26	CYSS	HB3	4.4	2338
	HN	27	ASP-	HN	3.8	5899.6
	HN	28	ALA	QB	4.7	1715.7
	HN	69	HEM	HT2A	3.6	9534
	HN	69	HEM	QT2	6.5	1689.1
	HN	69	HEM	HAM	5.5	812
	HA	26	CYSS	HB2	3.3	3097
	HA	26	CYSS	HB3	3.6	8694
	HA	27	ASP-	HN	4.7	1591.1
	HA	27	ASP-	HA	5.5	84
	HA	28	ALA	HN	5.5	665.7
	HA	69	HEM	HT2A	3.4	5530
	HA	69	HEM	QT2	6.5	949.9
	HA	69	HEM	HAM	4.3	3290
	HA	69	HEM	QM3	5.2	1514.3
	HB2	27	ASP-	HN	3.7	7490
	HB2	27	ASP-	HA	5.5	335.3
	HB2	69	HEM	HB3	5.5	25.2
	HB2	69	HEM	HT2A	4.1	4533
	HB3	27	ASP-	HN	4.4	2371.6
	HB3	29	CYSS	HB2	4.7	2044.7
	HB3	69	HEM	HB2	5.5	510.3
	HB3	69	HEM	HB3	5.5	347.6
	HB3	69	HEM	QM1	6.5	1101.1
	HB3	69	HEM	HT2A	3.9	5861
	HB3	69	HEM	QT2	6.5	511
27 ASP-						
	HN	27	ASP-	HA	3.8	6337.1
	HN	27	ASP-	QB	4.4	5687.5
	HN	28	ALA	HN	3.4	1949
	HN	28	ALA	HA	5.5	284.9
	HN	28	ALA	QB	5.1	1484.7
	HN	29	CYSS	HN	5.5	589.4
	HN	69	HEM	HN	5.5	786.8
	HN	69	HEM	HT2A	5.5	195
	HA	27	ASP-	QB	3.9	3552
	HA	28	ALA	HN	4.2	3053.4
	HA	28	ALA	QB	6.5	308
	HA	29	CYSS	HN	4.9	2599.1
	HA	69	HEM	HN	4.1	7442.4
	HA	69	HEM	HA	5.5	261.8
	HA	69	HEM	HB2	5.4	1471.4
	HA	69	HEM	HB3	5.5	915.6
	HA	31	GLU-	HA	5.5	40.6
	HA	32	GLY	HN	5.5	438.2
	QB	28	ALA	HN	6.2	931
	QB	69	HEM	HN	6.5	356.7
28 ALA						
	HN	28	ALA	HA	3.4	934
	HN	28	ALA	QB	3.3	6600
	HN	29	CYSS	HN	3.2	5631
	HN	69	HEM	HN	5.3	1519.7
	HN	69	HEM	QM3	6.5	2082.2
	HN	70	HEM	QT4	6.5	326.9
	HA	28	ALA	QB	3.3	5322
	HA	29	CYSS	HN	4.4	2451.4
	HA	69	HEM	HN	5.5	332.5
	HA	70	HEM	QT4	6.5	1707.3
	QB	29	CYSS	HN	3.9	7490
	QB	69	HEM	HN	5.3	911
	QB	69	HEM	QM3	5.1	3700.4
	QB	70	HEM	QM3	6.5	632
	QB	70	HEM	QT4	5.4	9303
29 CYSS						
	HN	29	CYSS	HA	3.8	5732.3
	HN	29	CYSS	HB2	4.9	1315.3
	HN	29	CYSS	HB3	5.5	481.6
	HN	69	HEM	HN	3	3184
	HN	69	HEM	HA	5.5	468.3
	HN	69	HEM	HB2	4.9	1211.7
	HN	69	HEM	HB3	5.1	951.7
	HN	69	HEM	QM3	6.5	1605.9
	HN	70	HEM	QT4	6.5	221.2
	HA	29	CYSS	HB2	5.5	280
	HA	29	CYSS	HB3	5.1	1036
	HA	69	HEM	HN	4.1	3899.7
	HB2	69	HEM	HN	5.2	872.9
	HB2	69	HEM	HT4A	5	1430
	HB2	37	ILE	QD1	6.5	1633
	HB3	69	HEM	HN	5.1	1013
	HB3	69	HEM	HT4A	4.3	3504
	HB3	69	HEM	QT4	6.5	394.8
	HB3	37	ILE	QD1	6.5	1830
						
69 HEM						
	HN	69	HEM	HA	4	4472.3
	HN	69	HEM	HB2	3.8	5984.3
	HN	69	HEM	HB3	4	4065.6
	HN	31	GLU-	HN	5.4	691.6
	HA	69	HEM	HB2	3.6	7868
	HA	69	HEM	HB3	3.3	4611.8
	HA	31	GLU-	HN	3.4	2334
	HA	31	GLU-	HA	4.3	2611
	HA	31	GLU-	HB3	4.8	1462.3
	HA	34	PRO	HA	5.5	443.8
	HA	37	ILE	QD1	6.5	2692
	HB2	31	GLU-	HN	5	1166.2
	HB2	34	PRO	HA	5	2118.2
	HB2	34	PRO	HG3	5.2	1112.3
	HB2	34	PRO	HD3	5.5	531.3
	HB3	31	GLU-	HN	4.3	2927.4
	HB3	31	GLU-	HA	5.5	135.8
	HB3	31	GLU-	HB3	5.5	50.4
	HB3	34	PRO	HA	4	8185.8
	HB3	34	PRO	HG3	4.8	1824.3
	HB3	34	PRO	HD3	5.5	303.8
	HB3	35	ALA	HN	5.3	989.9
	HA71	69	HEM	HA72	2.3	334
	HA71	69	HEM	HB73	2.6	1735
	HA71	69	HEM	QM8	4	8595.5
	HA71	69	HEM	HA62	5.5	833.7
	HA71	35	ALA	HA	4.6	2354.1
	HA71	36	LYS+	HN	4.3	3241.7
	HA71	36	LYS+	HB2	5.5	694.4
	HA71	36	LYS+	HB3	4.6	2270.1
	HA71	36	LYS+	HG2	5.5	452.9
	HA72	69	HEM	HB73	3	2257
	HA72	69	HEM	QM8	4.8	7866.6
	HA72	35	ALA	HA	5	1437.1
	HA72	36	LYS+	HN	4.8	1807.4
	HA72	36	LYS+	HB2	5	1365.7
	HA72	36	LYS+	HB3	4.7	1949.5
	HA72	36	LYS+	HG2	5.5	620.9
	HB73	69	HEM	HB74	4.6	2328.2
	HB73	69	HEM	QM8	4.2	5330
	HB73	36	LYS+	HN	5.5	280.7
	QM8	69	HEM	HDM	4	9374.6
	QM8	69	HEM	QM1	5	6037.5
	QM8	34	PRO	HA	6.5	1603.6
	QM8	34	PRO	HG2	6.5	733.7
	QM8	34	PRO	HD2	5.8	6150.9
	QM8	34	PRO	HD3	6.3	3731.7
	QM8	35	ALA	HN	6.5	559.4
	QM8	35	ALA	HA	5.8	6308.4
	QM8	35	ALA	QB	6.5	1902.4
	QM8	36	LYS+	HN	6.5	1221.6
	HDM	69	HEM	QM1	4.3	3832
	QM1	69	HEM	HT2A	6.3	1910
	QM1	69	HEM	QT2	3.6	1199
	QM1	34	PRO	HG2	6.5	836.5
	QM1	34	PRO	HG3	6.5	292.6
	QM1	34	PRO	HD3	5.8	5954.2
	HT2A	69	HEM	QT2	3.7	9930
	HT2A	69	HEM	HAM	2.7	890
	HT2A	69	HEM	QM3	4.7	8465.1
	QT2	69	HEM	HAM	5.4	4181.8
	QT2	69	HEM	QM3	5.6	3591
	HAM	69	HEM	QM3	4.3	4177.1
	QM3	69	HEM	HT4A	5.8	3114.3
	QM3	70	HEM	QM3	6.5	260
	HT4A	69	HEM	QT4	4.3	3530
	HT4A	69	HEM	QM5	6.1	2302
	HT4A	37	ILE	QD1	6.5	254
	HT4A	70	HEM	QM3	6.5	2590.8
	QT4	69	HEM	QM5	4.9	6765
	QM5	69	HEM	HA61	5.4	4325
	QM5	69	HEM	HA62	4.4	2080
	QM5	69	HEM	HB63	5.2	5068
	QM5	69	HEM	HB64	5.9	2643
	QM5	37	ILE	HN	6.5	2205
	QM5	37	ILE	HB	5.1	2900
	QM5	37	ILE	QG2	6.1	4722
	QM5	37	ILE	QD1	6.5	2935
	QM5	39	ILE	HN	6.5	82
	QM5	39	ILE	HA	6.5	445
	QM5	39	ILE	HB	6.5	1157
	QM5	39	ILE	QG2	6.5	1191
	QM5	39	ILE	HG12	5.9	5801
	QM5	39	ILE	HG13	6.1	4687
	QM5	39	ILE	QD1	4.9	8050
	QM5	48	ALA	QB	6.5	781
	QM5	70	HEM	HT2A	6.5	710
	QM5	70	HEM	QT2	5.1	3263
	HA61	69	HEM	HA62	2.3	6830
	HA61	69	HEM	HB63	3	3150
	HA61	69	HEM	HB64	3.5	6636
	HA61	36	LYS+	HB2	3.8	7657
	HA61	37	ILE	HN	3.8	7028
	HA61	37	ILE	HB	4.8	1759
	HA61	37	ILE	HG13	5.3	980
	HA61	39	ILE	HG12	5.5	285
	HA61	39	ILE	HG13	5.5	639
	HA61	39	ILE	QD1	6.5	766
	HA62	69	HEM	HB63	3.3	8997
	HA62	69	HEM	HB64	3.7	5645
	HA62	36	LYS+	HB2	4.2	3799
	HA62	37	ILE	HN	3.8	7861
	HA62	37	ILE	HB	4.1	4686
	HA62	39	ILE	HG12	4.5	2817
	HA62	39	ILE	HG13	5.2	1044
	HA62	39	ILE	QD1	6.5	527
	HB63	37	ILE	HN	5.5	673
	HB63	37	ILE	HB	5.5	302
	HB63	39	ILE	HG12	5.5	498
	HB63	39	ILE	QD1	6.5	463
	HB63	70	HEM	QT2	6.5	363
	HB64	36	LYS+	HB2	4.5	2543.8
	HB64	37	ILE	HN	5.5	481
31 GLU-						
	HN	31	GLU-	HA	3.9	4945.5
	HN	31	GLU-	HB2	4.7	1541.4
	HN	31	GLU-	HB3	3.5	8967
	HN	32	GLY	HN	4	4634.7
	HA	31	GLU-	HB2	4.3	2677.5
	HA	31	GLU-	HB3	3.2	7990
	HA	32	GLY	HN	3.3	2978
	HB2	32	GLY	HN	4.9	1201.9
	HB3	32	GLY	HN	4.1	3738
32 GLY						
	HN	32	GLY	HA1	3.9	5154.8
	HN	32	GLY	HA2	4.5	1983.8
	HN	33	THR	HN	5.5	237.3
33 THR						
	HN	33	THR	HB	4.3	2935.8
	HN	33	THR	QG2	6.5	1409.8
	HA	34	PRO	HD2	5.5	421.4
	HB	33	THR	QG2	4.1	6324
	HB	34	PRO	HA	5.5	73.5
	QG2	34	PRO	HG2	6.5	2135
	QG2	35	ALA	QB	7.5	1281.7
34 PRO						
	HA	34	PRO	HB3	4.2	3204.6
	HA	34	PRO	HG2	5.5	581
	HA	34	PRO	HG3	5.5	476.7
	HA	34	PRO	HD2	5.5	906.5
	HA	34	PRO	HD3	5.5	751.1
	HA	35	ALA	HN	3.3	3020
	HA	35	ALA	QB	5.6	783.3
	HG2	34	PRO	HD2	5.1	1479.8
	HG2	34	PRO	HD3	2.9	3804
	HG3	34	PRO	HD2	5.5	779.8
	HG3	34	PRO	HD3	3.3	9002
35 ALA						
	HN	35	ALA	HA	4.4	2514.4
	HN	35	ALA	QB	4.2	4912.6
	HA	35	ALA	QB	3.3	2365
	HA	36	LYS+	HN	3.3	4007
	HA	36	LYS+	HA	5.5	357.7
	HA	36	LYS+	HB3	5.5	417.2
	HA	36	LYS+	HG2	5.5	508.9
	QB	36	LYS+	HN	3.4	7927
	QB	36	LYS+	HB3	6.5	836.5
36 LYS+						
	HN	36	LYS+	HA	3.8	6039.6
	HN	36	LYS+	HB2	4.7	1631
	HN	36	LYS+	HB3	3.2	5540
	HN	36	LYS+	HG2	2.9	5477
	HN	36	LYS+	HG3	5.5	913.5
	HN	37	ILE	HN	5.5	532
	HA	36	LYS+	HB2	3.4	612
	HA	36	LYS+	HB3	3.5	381
	HA	36	LYS+	HG2	3.5	7021
	HA	36	LYS+	HG3	5.5	1026.2
	HA	36	LYS+	HD2	5.4	1176.7
	HA	37	ILE	HN	2.9	8640
	HA	37	ILE	HA	5.5	518
	HA	37	ILE	HB	4.8	1424
	HB2	36	LYS+	HG2	2.9	5085
	HB2	36	LYS+	HG3	3	2271
	HB2	36	LYS+	HD2	3.1	1081
	HB2	36	LYS+	HE2	4.4	2767.8
	HB2	36	LYS+	HE3	3.9	4556.3
	HB2	37	ILE	HN	3.6	7706
	HB2	38	ALA	HA	5.5	894
	HB3	36	LYS+	HG2	3.1	815
	HB3	36	LYS+	HG3	4.5	2384.2
	HB3	37	ILE	HN	4.6	1808
	HG2	36	LYS+	HD2	3.6	6402.2
	HG2	36	LYS+	HD3	4.7	2165.1
	HG2	37	ILE	HN	5.1	1255
	HG3	36	LYS+	HD3	5.5	406.7
	HG3	36	LYS+	HE2	5.1	1527.4
	HG3	36	LYS+	HE3	4.8	1913.1
	HD2	36	LYS+	HE2	5	1602.3
	HD2	36	LYS+	HE3	5.4	1211.7
37 ILE						
	HN	37	ILE	HA	5.5	492
	HN	37	ILE	HB	3.5	9575
	HN	37	ILE	QG2	6.5	1019
	HN	37	ILE	HG12	5.3	1263
	HN	37	ILE	HG13	5	1682
	HN	37	ILE	QD1	6	2565
	HN	38	ALA	HN	5.5	239
	HA	37	ILE	HB	4	4589
	HA	37	ILE	QG2	4.4	1990
	HA	37	ILE	HG12	3.4	7951
	HA	37	ILE	HG13	3.9	4240
	HA	37	ILE	QD1	6.5	1151
	HA	38	ALA	HN	3.1	1380
	HB	37	ILE	QG2	3.9	1960
	HB	37	ILE	HG12	3.9	4228
	HB	37	ILE	HG13	3.6	5825
	HB	37	ILE	QD1	4.8	7469
	HB	38	ALA	HN	5.1	971
	HB	39	ILE	HG12	5.5	791
	HB	39	ILE	QD1	6.5	2808
	QG2	37	ILE	HG12	4.7	9009
	QG2	37	ILE	HG13	5.1	5917
	QG2	37	ILE	QD1	5.3	3820
	QG2	38	ALA	HN	5.2	1660
	QG2	38	ALA	QB	6.9	5464
	QG2	39	ILE	HG12	4.9	7270
	QG2	43	SER	HB3	6.5	2591
	HG12	37	ILE	QD1	4.7	8464
	HG12	38	ALA	HN	4.9	1600
	HG13	37	ILE	QD1	5.3	4723
	HG13	38	ALA	HN	5.5	270
	QD1	38	ALA	HN	6.5	411
	QD1	39	ILE	QD1	7.5	241
	QD1	48	ALA	QB	7.5	2766
38 ALA						
	HN	38	ALA	HA	3.2	6300
	HN	38	ALA	QB	3.3	1680
	HN	39	ILE	HN	4.9	1279
	HA	38	ALA	QB	3.3	4870
	HA	39	ILE	HN	2.8	6030
	HA	39	ILE	HA	5.2	908
	HA	39	ILE	HB	4.7	1720
	HA	39	ILE	QG2	6.5	846
	HA	39	ILE	HG12	4.8	1754
	HA	39	ILE	QD1	6.5	1158
	QB	39	ILE	HN	3.9	7139
39 ILE						
	HN	39	ILE	HA	4	4626
	HN	39	ILE	HB	3.2	6370
	HN	39	ILE	QG2	5.5	3801
	HN	39	ILE	HG12	3.3	8322
	HN	39	ILE	HG13	3.8	5078
	HN	39	ILE	QD1	5.8	2998
	HN	40	ASP-	HN	4.9	1320
	HA	39	ILE	HB	3.9	5257
	HA	39	ILE	QG2	4.4	2530
	HA	39	ILE	HG12	4.3	2876
	HA	39	ILE	HG13	4.5	2425
	HA	39	ILE	QD1	3.8	3860
	HA	40	ASP-	HN	3	4460
	HA	43	SER	HB2	5.5	387
	HA	44	ALA	HN	4.8	1025
	HA	44	ALA	QB	6.5	608
	HA	48	ALA	QB	6.5	1912
	HA	70	HEM	QT2	6.5	427
	HA	71	HEM	QM5	6.5	1055.7
	HB	39	ILE	QG2	3.7	9520
	HB	39	ILE	HG12	2.7	460
	HB	39	ILE	HG13	2.8	7400
	HB	39	ILE	QD1	4.8	8004
	HB	40	ASP-	HN	4.4	2415
	HB	44	ALA	QB	6.5	923
	HB	70	HEM	QT2	6.5	1228
	HB	71	HEM	QM5	6.5	3168.9
	QG2	39	ILE	HG12	4.5	320
	QG2	39	ILE	HG13	4.2	4620
	QG2	39	ILE	QD1	4.7	8200
	QG2	40	ASP-	HN	5.5	8444
	QG2	40	ASP-	HA	6.3	3770
	QG2	43	SER	HB3	6.5	2011
	QG2	44	ALA	HN	6.5	1507
	QG2	44	ALA	HA	6.5	1390
	QG2	44	ALA	QB	6.2	1840
	QG2	48	ALA	QB	7.5	2438
	QG2	70	HEM	QM1	6.5	66
	QG2	70	HEM	QT2	5.4	9138
	QG2	71	HEM	QM5	5	4807.1
	QG2	71	HEM	HA61	6.5	3076
	QG2	71	HEM	HA62	6.5	2787
	QG2	71	HEM	HB63	6.5	500
	QG2	71	HEM	HB64	6.5	2217
	HG12	39	ILE	QD1	3.8	3820
	HG12	40	ASP-	HN	5.5	275
	HG12	70	HEM	QT2	6.4	3524
	HG13	39	ILE	QD1	3.6	3080
	HG13	40	ASP-	HN	5.5	457
	HG13	70	HEM	QT2	6.1	4495
	HG13	71	HEM	QM5	6.5	814.8
	QD1	40	ASP-	HN	6.2	4229
	QD1	43	SER	HB2	6.5	2580
	QD1	43	SER	HB3	6.5	2564
	QD1	44	ALA	HN	6.5	608
	QD1	44	ALA	HA	6.5	1674
	QD1	44	ALA	QB	6.9	5408
	QD1	48	ALA	HN	6.5	188
	QD1	48	ALA	QB	5.5	320
	QD1	70	HEM	QT2	4.9	6390
	QD1	71	HEM	QM5	6.5	2213.4
40 ASP-						
	HN	40	ASP-	HA	3.7	6842
	HN	40	ASP-	HB2	4.6	1827
	HN	40	ASP-	HB3	4.9	1203
	HN	43	SER	HN	5.2	1815
	HN	43	SER	HB2	5.5	298
	HN	44	ALA	HN	4.5	4313
	HN	44	ALA	QB	5.3	867
	HN	48	ALA	QB	6.5	419
	HN	71	HEM	QM5	6.5	830.6
	HA	40	ASP-	HB2	3.2	7490
	HA	40	ASP-	HB3	3.2	6710
	HA	41	LYS+	HN	3.1	8640
	HA	41	LYS+	QG	6.5	309.5
	HA	71	HEM	HA61	5.5	166
	HA	71	HEM	HA62	4.7	2023
	HA	71	HEM	HB63	5.5	777
	HA	71	HEM	HB64	5	1383
	HB2	41	LYS+	HN	3.3	5220
	HB2	42	LYS+	HN	5	2279
	HB3	41	LYS+	HN	3.7	6858
	HB3	42	LYS+	HN	5.5	1123
41 LYS+						
	HN	41	LYS+	HA	4	4155
	HN	41	LYS+	QB	4.4	6200
	HN	41	LYS+	QG	4.9	4462.5
	HN	42	LYS+	HN	4	4296
	HA	41	LYS+	QB	4.3	3783
	HA	41	LYS+	QG	5.1	2464.4
	HA	42	LYS+	HN	4.9	1220.8
	HA	44	ALA	QB	4.9	1360
	QB	41	LYS+	QG	5.4	7533.7
	QB	42	LYS+	HN	5	4365.9
	QB	44	ALA	HN	6.5	115
	QG	42	LYS+	HN	6.1	1308.3
42 LYS+						
	HN	42	LYS+	HA	3.6	8614
	HN	42	LYS+	QB	3.8	6830
	HN	42	LYS+	QG	4.8	4674.5
	HN	43	SER	HN	3.4	750
	HN	43	SER	HA	5	1103
	HN	44	ALA	HN	5.5	898
	HA	42	LYS+	QB	4.4	980
	HA	42	LYS+	QG	4.5	4585.5
	HA	43	SER	HN	4.6	1825
	HA	44	ALA	HN	5.5	303
	HA	45	HIS	HN	5.5	786
	HA	45	HIS	HB2	4.9	2419.2
	HA	45	HIS	HB3	5.5	973.1
	QB	42	LYS+	QG	5.3	8715
	QB	43	SER	HN	4.9	4697
	QG	42	LYS+	HD2	4.4	7640
	QG	43	SER	HN	6.5	529.5
43 SER						
	HN	43	SER	HA	3.9	5222
	HN	43	SER	HB2	3.7	6829
	HN	43	SER	HB3	4.1	3537
	HN	44	ALA	HN	2.9	8060
	HA	43	SER	HB2	4.3	2903
	HA	43	SER	HB3	4.5	2071
	HA	44	ALA	HN	4.5	2025
	HA	46	LYS+	HN	4.6	3841
	HA	47	ASP-	HN	5.1	1868
	HA	48	ALA	HN	4	3011
	HB2	44	ALA	HN	4.7	1577
	HB2	48	ALA	HN	5.5	437
	HB2	48	ALA	QB	5.6	7517
	HB3	44	ALA	HN	4.8	1459
	HB3	48	ALA	HN	4.7	2115
	HB3	48	ALA	QB	4.8	8390
44 ALA						
	HN	44	ALA	HA	3.7	7322
	HN	44	ALA	QB	3.3	9935
	HN	45	HIS	HN	3.9	4896
	HN	48	ALA	QB	4.9	1488
	HN	71	HEM	QM5	6.5	674.9
	HA	44	ALA	QB	3.3	6751
	HA	45	HIS	HN	4.8	1396
	HA	48	ALA	QB	3.6	8868
	HA	50	LYS+	HG3	5.5	186
	HA	71	HEM	QM5	6.5	2280.6
	QB	45	HIS	HN	4.1	5622
	QB	45	HIS	HB2	6.5	306.6
	QB	45	HIS	HB3	6.5	62.4
	QB	48	ALA	QB	7.5	1253
	QB	50	LYS+	HN	6.5	286
	QB	70	HEM	QT2	6.5	725
	QB	71	HEM	QM5	5	4544.6
	QB	71	HEM	HA62	6.5	1436.7
45 HIS						
	HN	45	HIS	HA	3.8	5850.6
	HN	45	HIS	HB2	3.7	6554.1
	HN	45	HIS	HB3	4	4323.9
	HN	46	LYS+	HN	3.4	2540
	HN	48	ALA	QB	6.5	34
	HA	45	HIS	HB2	4.4	2486.4
	HA	45	HIS	HB3	4	4454.1
	HA	46	LYS+	HN	4.3	2856
	HA	50	LYS+	HN	4.9	953
	HA	50	LYS+	HB2	4.6	2225.3
	HA	50	LYS+	HB3	5.1	1215
	HA	50	LYS+	HG2	5.5	606.2
	HB2	46	LYS+	HN	4.6	1937.9
	HB3	46	LYS+	HN	5.2	857.9
46 LYS+						
	HN	46	LYS+	HA	3.8	6181
	HN	46	LYS+	HB2	3.9	4942
	HN	46	LYS+	HB3	4	4061
	HN	46	LYS+	HG2	5.5	1144
	HN	46	LYS+	HG3	4	4085
	HN	47	ASP-	HN	4.4	2361
	HN	48	ALA	HN	4.6	3488
	HN	48	ALA	QB	5.8	490
	HN	50	LYS+	HN	5.5	812
	HN	50	LYS+	HB3	5.5	1096
	HA	46	LYS+	HB2	3.4	790
	HA	46	LYS+	HB3	3.6	7786
	HA	46	LYS+	HG2	3	2770
	HA	46	LYS+	HG3	3.7	5539
	HA	47	ASP-	HN	4.5	2224
	HA	47	ASP-	HA	4.7	1544
	HB2	46	LYS+	HG2	3.3	8724
	HB2	46	LYS+	HG3	3.9	4606
	HB2	47	ASP-	HN	3.4	1650
	HB3	46	LYS+	HG2	2.9	4260
	HB3	46	LYS+	HG3	3.8	4809
	HB3	47	ASP-	HN	3	7180
	HB3	48	ALA	HN	5.5	860
	HG2	47	ASP-	HN	3.9	6247
	HD2	47	ASP-	HN	5.1	1288
47 ASP-						
	HN	47	ASP-	HA	4	4050
	HN	47	ASP-	HB2	3.5	9770
	HN	47	ASP-	HB3	3.1	2250
	HN	48	ALA	HN	3.1	8530
	HN	48	ALA	QB	6.3	378
	HA	47	ASP-	HB2	3.3	2920
	HA	47	ASP-	HB3	3.7	6491
	HA	48	ALA	HN	4.7	1620
	HA	51	THR	HB	3.8	890
	HA	51	THR	QG2	6	5075
	HB2	48	ALA	HN	5.1	954.8
	HB3	48	ALA	HN	4.3	2954.7
48 ALA						
	HN	48	ALA	HA	3.5	584
	HN	48	ALA	QB	3.3	500
	HA	48	ALA	QB	3.3	8940
	HA	52	CYSS	HN	5.5	1007
	HA	70	HEM	QM3	6.5	393
	QB	50	LYS+	HN	6.3	305
	QB	70	HEM	HT2A	6.5	196
	QB	70	HEM	QT2	6.5	2246
49 CYSS						
	HB2	71	HEM	HT4A	5.5	590.1
	HB3	51	THR	HN	4.7	3240
	HB3	70	HEM	QM1	6.5	1715.7
	HB3	70	HEM	QT2	6.5	370
50 LYS+						
	HN	50	LYS+	HA	5.5	234
	HN	50	LYS+	HB2	3.3	3750
	HN	50	LYS+	HB3	3.5	60
	HN	50	LYS+	HG2	3.9	4233
	HN	50	LYS+	HG3	2.9	3820
	HN	50	LYS+	QD	6.5	757.5
	HN	50	LYS+	HE2	5.5	440
	HN	50	LYS+	HE3	5.5	698
	HN	51	THR	HN	4	4506
	HN	70	HEM	HAM	5.5	276
	HA	50	LYS+	HB2	4.6	1767.5
	HA	50	LYS+	HB3	4.2	3264
	HA	50	LYS+	HG2	4.7	2149.7
	HA	51	THR	HN	4.2	3008
	HB2	50	LYS+	QD	5	4116
	HB2	50	LYS+	HE2	4.5	2511.6
	HB2	50	LYS+	HE3	3.4	7392
	HB2	51	THR	HN	4.3	2933
	HB3	50	LYS+	HG2	3.4	8069
	HB3	50	LYS+	QD	6.4	1215
	HB3	50	LYS+	HE2	3.3	8407
	HB3	50	LYS+	HE3	3.8	4768
	HB3	51	THR	HN	3.7	6469
	HG2	50	LYS+	QD	4.6	6037.5
	HG2	71	HEM	QM3	6.5	2417.8
	HD2	50	LYS+	HE2	4.9	1717.8
	QD	50	LYS+	HE2	6.5	565.6
	QD	50	LYS+	HE3	5.9	1758.1
	QD	71	HEM	QT2	7.5	0
	QD	71	HEM	QM3	7.5	1503.6
51 THR						
	HN	51	THR	HA	3.7	7334
	HN	51	THR	HB	3.3	3470
	HN	51	THR	QG2	5.6	3532
	HN	52	CYSS	HN	3.9	5039
	HN	70	HEM	HN	4.6	3683
	HA	51	THR	HB	4.5	1999
	HA	51	THR	QG2	4.2	4890
	HA	52	CYSS	HN	4.7	1693
	HA	54	LYS+	HN	5.1	2055
	HA	54	LYS+	HG3	5.5	538
	HA	54	LYS+	HD2	5.5	782
	HB	51	THR	QG2	4.2	5050
	HB	52	CYSS	HN	3.8	6236
	QG2	52	CYSS	HN	6	4990
	QG2	54	LYS+	HD2	5.5	8836
52 CYSS						
	HN	52	CYSS	HA	3.7	7333
	HN	52	CYSS	HB2	3.3	3090
	HN	52	CYSS	HB3	4.1	3488
	HN	70	HEM	HN	4.8	1396
	HN	70	HEM	QM3	6.5	2054.7
	HN	70	HEM	QT4	6.5	797
	HA	52	CYSS	HB2	3.4	1600
	HA	52	CYSS	HB3	4.2	3163
	HA	70	HEM	HN	5	1141
	HA	70	HEM	QM3	6.5	536.1
	HB2	70	HEM	HN	4.4	2313
	HB2	70	HEM	QM3	5.5	8226
	HB2	70	HEM	QT4	5.5	8148
	HB3	70	HEM	HN	4.5	2078
	HB3	70	HEM	QM3	6.5	2520
	HB3	70	HEM	QT4	5	5090
70 HEM						
	HN	70	HEM	HB2	4.5	2196.6
	HN	70	HEM	HB3	5.5	379.7
	HN	54	LYS+	HN	3.9	4940
	HN	55	SER	HN	5	2354
	HB2	54	LYS+	HN	4.7	1596.2
	HB2	54	LYS+	HG2	3.6	596.6
	HB3	54	LYS+	HN	5.5	417.3
	HB3	54	LYS+	HG3	3.9	5980.8
	HA71	70	HEM	HB73	5.5	751.8
	HA71	70	HEM	HB74	5.5	620.2
	HA72	70	HEM	HB73	4.7	2074.1
	HA72	70	HEM	HB74	4.7	2088.1
	HA72	70	HEM	QM8	5.6	3509.8
	HA72	70	HEM	HA61	5.1	1501.3
	HB73	70	HEM	HB74	2.3	425
	HB73	70	HEM	QM8	5.6	3720.5
	HB74	70	HEM	QM8	5.7	3229.1
	QM8	70	HEM	QM1	5.4	4230
	QM8	65	CYSS	HA	6.1	4429.6
	QM1	70	HEM	QT2	4.4	2126
	QM1	71	HEM	HT4A	6.2	4044
	QM1	71	HEM	QM5	6.1	4655.7
	HT2A	70	HEM	QT2	4.8	7998
	HT2A	70	HEM	HAM	4.8	1867
	HT2A	70	HEM	QM3	6.5	1511
	QT2	71	HEM	QM5	6.5	1780.8
	HAM	70	HEM	QM3	4.9	7194
	QM3	70	HEM	QT4	3.5	5940
	HBM	70	HEM	QM5	6.5	1218.8
	QM5	70	HEM	HB64	5.6	3700.2
	HA61	70	HEM	HB64	2.6	4297
54 LYS+						
	HN	54	LYS+	HB2	3.2	6500
	HN	54	LYS+	HB3	3.6	8182
	HN	54	LYS+	HG2	5.5	1076
	HN	54	LYS+	HG3	3.9	4567
	HN	54	LYS+	HD2	5.5	620
	HN	55	SER	HN	4.1	3563.7
	HN	55	SER	HB3	4.9	1300.6
	HN	56	ASN	HN	4.8	2937.9
	HA	54	LYS+	HB2	3.3	5000
	HA	54	LYS+	HG2	3.1	1550
	HA	54	LYS+	HG3	3.2	460
	HA	54	LYS+	HD3	2.8	7040
	HB2	54	LYS+	HG3	2.4	562
	HB2	54	LYS+	HD2	2.6	1380
	HB2	55	SER	HN	4	4412.1
	HB2	56	ASN	HN	5	2222.5
	HB3	54	LYS+	HG2	3.3	8274
	HB3	54	LYS+	HG3	2.5	5564
	HB3	55	SER	HN	5.5	499.8
	HG2	54	LYS+	HD2	3	2920
	HG2	54	LYS+	HD3	3.7	5670.7
	HG3	54	LYS+	HD2	3.4	8192
	HG3	54	LYS+	HD3	5.5	0
	HG3	55	SER	HN	5.5	455.7
55 SER						
	HN	55	SER	HB2	4.9	1232.7
	HN	55	SER	HB3	3.7	6624.8
	HN	56	ASN	QB	6.2	891.1
	HN	56	ASN	HD21	5.5	219.8
	HA	55	SER	HB2	4.9	1190
	HB2	56	ASN	HN	5.4	688.1
	HB3	56	ASN	HN	4	4171.3
	HB3	56	ASN	HD21	5.5	602.7
56 ASN						
	HN	56	ASN	HA	5.1	1044.4
	HN	56	ASN	QB	4.9	2699.9
	HN	56	ASN	HD21	5.5	865.9
	HN	56	ASN	HD22	5.5	330.4
	HN	57	ASN	HN	4.2	3152.8
	HN	58	GLY	HN	5.5	424.2
	HA	56	ASN	QB	4	2026
	HA	57	ASN	HN	5.5	389.2
	QB	56	ASN	HD21	4.4	8059.8
	QB	56	ASN	HD22	5.4	2815.1
	QB	57	ASN	HN	4.4	822
	QB	58	GLY	HN	6.5	781.2
	HD21	57	ASN	HN	5.5	581.7
	HD21	57	ASN	HD21	4.7	2027.9
57 ASN						
	HN	57	ASN	HA	4.3	2597.7
	HN	57	ASN	HB2	4.2	3280.2
	HN	57	ASN	HB3	3.8	5638.5
	HN	57	ASN	HD21	5.5	55.3
	HN	58	GLY	HN	4.2	3255
	HA	58	GLY	HN	4.6	1913.1
	HB2	57	ASN	HD21	4.8	1895.6
	HB2	57	ASN	HD22	5.5	683.9
	HB2	58	GLY	HN	5.5	288.4
	HB3	57	ASN	HD21	3.3	8337
	HB3	57	ASN	HD22	5.4	1180.2
	HB3	58	GLY	HN	5.5	583.1
59 PRO						
	HA	60	THR	HN	5.5	454.3
	HA	61	LYS+	HN	5.5	968.1
	HB2	59	PRO	QD	6	1577.1
	HB2	60	THR	HN	4.7	1614.9
	HB2	64	GLY	HN	3.9	6364
	HB2	64	GLY	HA1	4.2	3876.6
	HB2	64	GLY	HA2	3.5	2558
	HB2	65	CYSS	HN	5.5	554
	HB2	71	HEM	QM3	6.5	1143.1
	HB3	59	PRO	QD	6.5	104
	HB3	64	GLY	HA1	4.6	2214.8
60 THR						
	HN	60	THR	HA	4.4	2352
	HN	60	THR	HB	5.3	798
	HN	61	LYS+	HN	4.1	3966.9
	HA	60	THR	HB	4.2	3024.7
	HA	61	LYS+	HN	4.2	3213.7
	HA	71	HEM	QM3	6	5009.9
	HB	61	LYS+	HN	5.5	412.3
61 LYS+						
	HN	61	LYS+	HA	4.2	3241
	HN	61	LYS+	HB2	4.1	3777.9
	HN	61	LYS+	HB3	3.3	3937
	HN	61	LYS+	QG	6.4	1209.6
	HN	62	CYSS	HN	5.5	423.5
	HN	64	GLY	HN	5	2353
	HN	71	HEM	QM3	6.5	411.6
	HA	61	LYS+	HB2	3.6	8274
	HA	61	LYS+	HB3	3.6	8911
	HA	61	LYS+	QG	4.9	2901.2
	HA	62	CYSS	HN	3.3	3230
	HA	62	CYSS	HB2	5.2	862.4
	HA	71	HEM	QM3	6.5	302.4
	HB2	61	LYS+	QG	4.2	9296
	HB2	62	CYSS	HN	3.9	4673.2
	HB2	63	GLY	HN	5.5	597.1
	HB2	64	GLY	HN	5.5	576
	HB3	61	LYS+	QG	3.9	5683.5
	HB3	61	LYS+	QD	6.5	620.6
	HB3	62	CYSS	HN	4.3	2725.1
	HB3	63	GLY	HN	5.5	405.3
	QG	61	LYS+	QD	7.5	324.5
	QG	62	CYSS	HN	6.4	887.9
62 CYSS						
	HN	62	CYSS	HA	3.9	4977
	HN	62	CYSS	HB2	3.9	5052.6
	HN	62	CYSS	HB3	4.4	2493.4
	HN	63	GLY	HN	5.4	675.5
	HN	64	GLY	HN	5.3	1496
	HN	71	HEM	QM1	6.5	532.1
	HN	71	HEM	HT2A	4.2	4132.8
	HN	71	HEM	QT2	6.5	1777.3
	HN	71	HEM	QM3	6.5	713.3
	HA	62	CYSS	HB2	3.7	6491.1
	HA	62	CYSS	HB3	2.6	7876
	HA	63	GLY	HN	3.9	5333.3
	HA	63	GLY	HA1	5	1181
	HA	63	GLY	HA2	5.1	1011.5
	HA	71	HEM	QM1	6.5	2046
	HB2	63	GLY	HN	5.5	294.7
	HB2	64	GLY	HN	5.5	948
	HB2	65	CYSS	HN	5.5	288
	HB2	71	HEM	QM1	6.5	958.9
	HB2	71	HEM	HT2A	4.2	4170.6
	HB2	71	HEM	QT2	6.5	777
	HB3	63	GLY	HN	5	1101.1
	HB3	63	GLY	HA2	5.5	143.5
	HB3	71	HEM	QM1	6.3	3687.6
	HB3	71	HEM	HT2A	4	5597.2
63 GLY						
	HN	63	GLY	HA1	3.9	5104
	HN	63	GLY	HA2	3.6	7616
	HN	64	GLY	HN	4.3	2634
	HA1	64	GLY	HN	4.8	1409
	HA1	65	CYSS	HN	5.5	313
	HA1	71	HEM	HN	5.1	1862
	HA1	71	HEM	HB2	4.9	2407
	HA2	64	GLY	HN	4.2	3027
	HA2	65	CYSS	HN	5.5	834
	HA2	71	HEM	HN	5.5	1196
	HA2	71	HEM	HB2	5.5	441
64 GLY						
	HN	64	GLY	HA1	3.4	1020
	HN	64	GLY	HA2	3.1	2160
	HN	65	CYSS	HN	3.2	7580
	HN	71	HEM	HN	5	2334
	HA2	65	CYSS	HN	4.3	2840
65 CYSS						
	HN	65	CYSS	HA	5.3	814
	HN	65	CYSS	HB2	4.5	2147
	HN	65	CYSS	HB3	4.9	1213
	HN	71	HEM	HN	3.3	4270
	HN	71	HEM	HB2	5.3	775
	HN	71	HEM	QM3	6.5	400
	HA	65	CYSS	HB2	4.2	3334.1
	HA	65	CYSS	HB3	3.8	5718.3
	HA	71	HEM	HN	5.5	69
	HB2	71	HEM	HN	4.3	2886
	HB3	71	HEM	HN	5.2	888
71 HEM						
	HN	71	HEM	HA	4.3	2840
	HN	71	HEM	HB2	3.7	6570
	HN	71	HEM	HB3	4	4047
	HN	67	ILE	HN	5.5	628
	HA	71	HEM	HB2	4	4414
	HA	71	HEM	HB3	3.6	7614
	HA	67	ILE	HN	2.9	1210
	HA	67	ILE	HA	5.5	634
	HA	67	ILE	HB	4.9	1285
	HA	67	ILE	HG13	5.5	572
	HB2	67	ILE	HN	4.9	1282
	HB3	67	ILE	HN	4.6	1914
	HA71	71	HEM	HA72	2.3	3428
	HA71	71	HEM	HB73	3.6	6171.9
	HA71	71	HEM	HB74	3.5	7137.9
	HA71	71	HEM	QM8	5	6447
	HA71	71	HEM	HA62	5.5	592.2
	HA72	71	HEM	HB73	3.2	9996
	HA72	71	HEM	HB74	4.3	3110.8
	HA72	71	HEM	QM8	4.4	1515
	HB73	71	HEM	HB74	2.3	9630
	HB73	71	HEM	QM8	4.6	9286.2
	QM8	71	HEM	HDM	4	8816
	QM8	71	HEM	QM1	5.3	4836.3
	HDM	71	HEM	QM1	3.9	821.5
	QM1	71	HEM	HT2A	6.5	1117.2
	QM1	71	HEM	QT2	3.8	4066
	HT2A	71	HEM	QT2	4.8	7476
	HT2A	71	HEM	QM3	5.9	2635.5
	HAM	71	HEM	QM3	5.5	4013.8
	QM3	71	HEM	HT4A	6.5	165.2
	HT4A	71	HEM	QM5	5.9	2776.2
	QM5	71	HEM	HA61	5.6	3616.2
	QM5	71	HEM	HA62	5.6	3721.2
	QM5	71	HEM	HB63	5.4	4300.8
	QM5	71	HEM	HB64	6.1	2322.6
	HGM	71	HEM	HA61	5.5	763.7
	HGM	71	HEM	HA62	3.9	4277.7
	HGM	71	HEM	HB64	5	1573.6
	HA61	71	HEM	HA62	2.6	4549
	HA61	71	HEM	HB63	4.1	3526.6
	HA61	71	HEM	HB64	4.3	3089.1
	HA62	71	HEM	HB63	3.8	5073.6
	HA62	71	HEM	HB64	3.5	7238
	HB63	71	HEM	HB64	2.3	8241
67 ILE						
	HN	67	ILE	HA	3.6	7749
	HN	67	ILE	HB	3.3	3540
	HN	67	ILE	HG12	4	4072
	HN	67	ILE	HG13	3.5	6811
	HN	67	ILE	QG1	6.5	958.5
	HN	67	ILE	QD1	6.5	1484
	HN	68	LYS+	HN	4.9	1337
	HA	67	ILE	HB	3.9	5329
	HA	67	ILE	HG12	3.9	4305
	HA	67	ILE	HG13	4	4201
	HA	67	ILE	QG1	4.2	6435
	HA	67	ILE	QD1	4.6	9494
	HA	68	LYS+	HN	2.9	350
	HB	67	ILE	HG12	3.3	8478
	HB	67	ILE	HG13	3.8	5057
	HB	67	ILE	QG1	4.2	155
	HB	67	ILE	QD1	6.1	2315
	HB	68	LYS+	HN	4.9	1279
	HB	68	LYS+	HA	5	1177
	HG12	67	ILE	QG1	5.6	2192
	HG12	67	ILE	QD1	4.8	7463
	HG13	67	ILE	QG1	6	1650.5
	HG13	67	ILE	QD1	5.1	5638
	QG1	67	ILE	QD1	5.5	435
	QG1	68	LYS+	HN	5.7	2097
	QD1	68	LYS+	HN	6.5	1183
68 LYS+						
	HN	68	LYS+	HA	4.3	2905
	HN	68	LYS+	HB2	4.1	3528
	HN	68	LYS+	HB3	3.6	8240
	HN	68	LYS+	HG2	3.5	7207
	HA	68	LYS+	HB2	3.8	5570.6
	HA	68	LYS+	HB3	4.2	3442.6
	HA	68	LYS+	HG2	3.2	346
	HB2	68	LYS+	HG2	2.5	5417
	HB3	68	LYS+	HG2	3	2075


Table S2. Pseudocontact shift values (pcs) measured for the double mutant K910A of D. acetoxidans cytochrome c7, at pH 6.5, T 298K.						
						
Res.num.	Res.name	Atom.name	pcs	multiplicity	tolerance	weight
2	ASP	HN	2.08	1	0.5	1
2	ASP	HA	4.343	1	0.3	1
3	VAL	HN	2.278	1	0.5	1
3	VAL	HA	2.568	1	0.3	1
4	VAL	HN	1.806	1	0.5	1
4	VAL	HA	0.929	1	0.3	1
4	VAL	HB	0.86	1	0.3	1
5	THR	HN	0.53	1	0.5	1
5	THR	HA	0.455	1	0.3	1
5	THR	HB	0.505	1	0.3	1
5	THR	HG21	0.665	3	0.3	1
5	THR	HG22	0.665	1	0.3	1
5	THR	HG23	0.665	1	0.3	1
6	TYR	HN	0.294	1	0.5	1
6	TYR	HA	0.76	1	0.3	1
7	GLU	HN	0.192	1	0.5	1
7	GLU	HA	0.88	1	0.3	1
8	ASN	HN	1.101	1	0.5	1
8	ASN	HA	-0.062	1	0.3	1
9	ALA	HN	-0.367	1	0.5	1
9	ALA	HA	0.448	1	0.3	1
10	ALA	HN	0.923	1	0.5	1
10	ALA	HA	0.961	1	0.3	1
11	GLY	HN	2.926	1	0.5	1
12	ASN	HN	2.097	1	0.5	1
12	ASN	HA	2.479	1	0.3	1
13	VAL	HN	2.061	1	0.5	1
13	VAL	HA	2.225	1	0.3	1
13	VAL	HB	3.572	1	0.3	1
14	THR	HN	0.689	1	0.5	1
14	THR	HA	0.458	1	0.3	1
14	THR	HB	0.162	1	0.3	1
14	THR	HG21	0.586	3	0.3	1
14	THR	HG22	0.586	1	0.3	1
14	THR	HG23	0.586	1	0.3	1
15	PHE	HN	0.655	1	0.5	1
15	PHE	HA	0.482	1	0.3	1
15	PHE	HZ	-3.609	1	0.3	1
16	ASP	HN	3.165	1	0.5	1
18	LYS	HN	4.934	1	0.5	1
18	LYS	HA	3.86	1	0.3	1
19	ALA	HN	3.582	1	0.5	1
19	ALA	HA	1.974	1	0.3	1
19	ALA	HB1	2.231	3	0.3	1
19	ALA	HB2	2.231	1	0.3	1
19	ALA	HB3	2.231	1	0.3	1
21	ALA	HN	2.982	1	0.5	1
21	ALA	HA	-1.513	1	0.3	1
21	ALA	HB1	-0.579	3	0.3	1
21	ALA	HB2	-0.579	1	0.3	1
21	ALA	HB3	-0.579	1	0.3	1
22	GLU	HN	1.347	1	0.5	1
22	GLU	HA	0.125	1	0.3	1
23	LYS	HN	0.878	1	0.5	1
23	LYS	HA	0.309	1	0.3	1
24	LEU	HN	-0.041	1	0.5	1
24	LEU	HA	-0.37	1	0.3	1
24	LEU	HG	0.301	1	0.3	1
25	GLY	HN	-0.463	1	0.5	1
27	ASP	HN	-0.128	1	0.5	1
27	ASP	HA	1.374	1	0.3	1
28	ALA	HN	-0.49	1	0.5	1
28	ALA	HA	-0.441	1	0.3	1
28	ALA	HB1	-1.263	3	0.3	1
28	ALA	HB2	-1.263	1	0.3	1
28	ALA	HB3	-1.263	1	0.3	1
31	GLU	HN	3.008	1	0.5	1
31	GLU	HA	1.572	1	0.3	1
32	GLY	HN	1.548	1	0.5	1
33	THR	HN	0.957	1	0.5	1
33	THR	HA	0.84	1	0.3	1
33	THR	HB	0.715	1	0.3	1
33	THR	HG21	0.286	3	0.3	1
33	THR	HG22	0.286	1	0.3	1
33	THR	HG23	0.286	1	0.3	1
34	PRO	HA	2.809	1	0.3	1
35	ALA	HN	4.431	1	0.5	1
35	ALA	HB1	1.09	3	0.3	1
35	ALA	HB2	1.09	1	0.3	1
35	ALA	HB3	1.09	1	0.3	1
36	LYS	HN	-0.987	1	0.5	1
36	LYS	HA	-4.358	1	0.3	1
37	ILE	HN	-4.458	1	0.5	1
37	ILE	HA	-0.762	1	0.3	1
37	ILE	HB	-4.092	1	0.3	1
37	ILE	HG21	-0.905	3	0.3	1
37	ILE	HG22	-0.905	1	0.3	1
37	ILE	HG23	-0.905	1	0.3	1
37	ILE	HD11	0.637	3	0.3	1
37	ILE	HD12	0.637	1	0.3	1
37	ILE	HD13	0.637	1	0.3	1
38	ALA	HN	-1.001	1	0.5	1
38	ALA	HA	-1.345	1	0.3	1
38	ALA	HB1	-0.742	3	0.3	1
38	ALA	HB2	-0.742	1	0.3	1
38	ALA	HB3	-0.742	1	0.3	1
39	ILE	HN	-1.484	1	0.5	1
39	ILE	HA	-1.646	1	0.3	1
39	ILE	HB	-1.955	1	0.3	1
39	ILE	HG21	-2.469	3	0.3	1
39	ILE	HG22	-2.469	1	0.3	1
39	ILE	HG23	-2.469	1	0.3	1
39	ILE	HD11	-3.035	3	0.3	1
39	ILE	HD12	-3.035	1	0.3	1
39	ILE	HD13	-3.035	1	0.3	1
40	ASP	HN	-1.212	1	0.5	1
40	ASP	HA	-1.599	1	0.3	1
41	LYS	HN	-1.474	1	0.5	1
41	LYS	HA	-0.952	1	0.3	1
42	LYS	HN	0.71	1	0.5	1
42	LYS	HA	2.909	1	0.3	1
43	SER	HN	0.494	1	0.5	1
43	SER	HA	0.449	1	0.3	1
44	ALA	HN	-0.005	1	0.5	1
44	ALA	HA	-1.703	1	0.3	1
44	ALA	HB1	-3.154	3	0.3	1
44	ALA	HB2	-3.154	1	0.3	1
44	ALA	HB3	-3.154	1	0.3	1
46	LYS	HN	1.756	1	0.5	1
46	LYS	HA	1.378	1	0.3	1
47	ASP	HN	0.345	1	0.5	1
47	ASP	HA	-0.383	1	0.3	1
48	ALA	HN	-0.734	1	0.5	1
48	ALA	HA	-2.445	1	0.3	1
48	ALA	HB1	-2.168	3	0.3	1
48	ALA	HB2	-2.168	1	0.3	1
48	ALA	HB3	-2.168	1	0.3	1
50	LYS	HN	-0.097	1	0.5	1
50	LYS	HA	2.956	1	0.3	1
51	THR	HN	0.39	1	0.5	1
51	THR	HA	0.104	1	0.3	1
51	THR	HB	0.445	1	0.3	1
51	THR	HG21	0.1	3	0.3	1
51	THR	HG22	0.1	1	0.3	1
51	THR	HG23	0.1	1	0.3	1
54	LYS	HN	1.385	1	0.5	1
54	LYS	HA	1.216	1	0.3	1
55	SER	HN	0.495	1	0.5	1
55	SER	HA	0.223	1	0.3	1
56	ASN	HN	0.597	1	0.5	1
56	ASN	HA	-0.066	1	0.3	1
57	ASN	HN	-0.045	1	0.5	1
57	ASN	HA	0.021	1	0.3	1
59	PRO	HA	0.361	1	0.3	1
60	THR	HN	0.593	1	0.5	1
60	THR	HA	0.367	1	0.3	1
60	THR	HG21	0.1	3	0.3	1
60	THR	HG22	0.1	1	0.3	1
60	THR	HG23	0.1	1	0.3	1
61	LYS	HN	-0.384	1	0.5	1
61	LYS	HA	-0.945	1	0.3	1
63	GLY	HN	-0.204	1	0.5	1
64	GLY	HN	-0.632	1	0.5	1
67	ILE	HN	3.465	1	0.5	1
67	ILE	HA	1.642	1	0.3	1
67	ILE	HB	1.374	1	0.3	1
67	ILE	HG21	0.1	3	0.3	1
67	ILE	HG22	0.1	1	0.3	1
67	ILE	HG23	0.1	1	0.3	1
67	ILE	HD11	0.535	3	0.3	1
67	ILE	HD12	0.535	1	0.3	1
67	ILE	HD13	0.535	1	0.3	1
68	LYS	HN	1.314	1	0.5	1
68	LYS	HA	1.251	1	0.3	1
						

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          H1        ALA   1 -11.657  -8.700   2.147
    2   2H    ALA   1          H2        ALA   1 -12.994  -8.437   1.199
    3   3H    ALA   1          H3        ALA   1 -12.360  -9.955   1.353
    4    HA   ALA   1           HA       ALA   1 -11.702  -9.133  -0.742
    5   1HB   ALA   1          HB1       ALA   1 -10.408  -7.048  -0.923
    6   2HB   ALA   1          HB2       ALA   1 -12.009  -6.734  -0.233
    7   3HB   ALA   1          HB3       ALA   1 -10.579  -6.766   0.823
    8    H    ASP   2           H        ASP   2  -9.815  -9.977  -1.566
    9    HA   ASP   2           HA       ASP   2  -7.773 -10.994   0.303
   10   1HB   ASP   2          HB2       ASP   2  -7.751 -12.846  -1.384
   11   2HB   ASP   2          HB3       ASP   2  -9.333 -12.606  -0.638
   12    H    VAL   3           H        VAL   3  -5.797 -11.784  -1.167
   13    HA   VAL   3           HA       VAL   3  -4.323  -9.390  -1.576
   14    HB   VAL   3           HB       VAL   3  -3.653 -12.232  -2.419
   15   1HG1  VAL   3          HG1       VAL   3  -1.872  -9.776  -2.048
   16   2HG1  VAL   3          HG1       VAL   3  -1.294 -11.432  -2.310
   17   3HG1  VAL   3          HG1       VAL   3  -2.197 -10.611  -3.584
   18   1HG2  VAL   3          HG2       VAL   3  -2.342 -12.278  -0.318
   19   2HG2  VAL   3          HG2       VAL   3  -2.953 -10.671   0.111
   20   3HG2  VAL   3          HG2       VAL   3  -4.061 -12.057   0.022
   21    H    VAL   4           H        VAL   4  -4.568  -7.979  -3.214
   22    HA   VAL   4           HA       VAL   4  -5.903  -8.830  -5.679
   23    HB   VAL   4           HB       VAL   4  -4.856  -6.084  -4.939
   24   1HG1  VAL   4          HG1       VAL   4  -5.293  -6.308  -7.353
   25   2HG1  VAL   4          HG1       VAL   4  -6.906  -6.966  -7.003
   26   3HG1  VAL   4          HG1       VAL   4  -6.510  -5.287  -6.583
   27   1HG2  VAL   4          HG2       VAL   4  -7.590  -7.333  -4.492
   28   2HG2  VAL   4          HG2       VAL   4  -6.450  -6.772  -3.248
   29   3HG2  VAL   4          HG2       VAL   4  -7.217  -5.602  -4.327
   30    H    THR   5           H        THR   5  -2.696  -7.509  -4.896
   31    HA   THR   5           HA       THR   5  -0.763  -7.281  -6.064
   32    HB   THR   5           HB       THR   5  -1.792  -9.893  -7.083
   33    HG1  THR   5           HG1      THR   5   0.716  -9.207  -6.020
   34   1HG2  THR   5          HG2       THR   5  -0.704  -9.224  -9.116
   35   2HG2  THR   5          HG2       THR   5   0.663  -8.495  -8.233
   36   3HG2  THR   5          HG2       THR   5   0.407 -10.253  -8.224
   37    H    TYR   6           H        TYR   6  -0.576  -5.423  -7.009
   38    HA   TYR   6           HA       TYR   6  -1.793  -4.850  -9.669
   39   1HB   TYR   6          HB2       TYR   6  -0.354  -3.309  -7.568
   40   2HB   TYR   6          HB3       TYR   6  -0.065  -2.813  -9.205
   41    HD1  TYR   6           HD1      TYR   6  -1.167  -0.787  -9.341
   42    HD2  TYR   6           HD2      TYR   6  -3.262  -4.079  -7.546
   43    HE1  TYR   6           HE1      TYR   6  -2.960   0.753  -8.629
   44    HE2  TYR   6           HE2      TYR   6  -5.170  -2.571  -7.037
   45    HH   TYR   6           HH       TYR   6  -6.036  -0.410  -7.281
   46    H    GLU   7           H        GLU   7  -0.824  -5.752 -11.330
   47    HA   GLU   7           HA       GLU   7   2.027  -6.352 -11.432
   48   1HB   GLU   7          HB2       GLU   7  -0.260  -6.918 -13.349
   49   2HB   GLU   7          HB3       GLU   7   1.361  -7.611 -13.458
   50   1HG   GLU   7          HG2       GLU   7   0.998  -8.803 -11.388
   51   2HG   GLU   7          HG3       GLU   7  -0.557  -8.005 -11.090
   52    H    ASN   8           H        ASN   8   3.492  -4.919 -12.288
   53    HA   ASN   8           HA       ASN   8   2.583  -2.861 -14.242
   54   1HB   ASN   8          HB2       ASN   8   4.321  -1.895 -12.027
   55   2HB   ASN   8          HB3       ASN   8   2.956  -1.108 -12.839
   56   1HD2  ASN   8          HD2       ASN   8   4.008  -3.028 -10.088
   57   2HD2  ASN   8          HD2       ASN   8   2.406  -3.368  -9.480
   58    H    ALA   9           H        ALA   9   4.460  -1.789 -15.357
   59    HA   ALA   9           HA       ALA   9   6.221  -3.909 -16.205
   60   1HB   ALA   9          HB1       ALA   9   5.377  -2.110 -17.673
   61   2HB   ALA   9          HB2       ALA   9   6.356  -0.929 -16.769
   62   3HB   ALA   9          HB3       ALA   9   7.151  -2.226 -17.691
   63    H    ALA  10           H        ALA  10   6.499  -1.524 -13.721
   64    HA   ALA  10           HA       ALA  10   9.453  -1.784 -13.494
   65   1HB   ALA  10          HB1       ALA  10   8.436   0.425 -13.280
   66   2HB   ALA  10          HB2       ALA  10   7.469  -0.135 -11.891
   67   3HB   ALA  10          HB3       ALA  10   9.242  -0.058 -11.778
   68    H    GLY  11           H        GLY  11   6.937  -3.772 -12.549
   69   1HA   GLY  11          HA2       GLY  11   7.846  -5.750 -11.192
   70   2HA   GLY  11          HA3       GLY  11   8.332  -4.581 -10.005
   71    H    ASN  12           H        ASN  12   6.192  -6.816 -10.079
   72    HA   ASN  12           HA       ASN  12   3.746  -5.315  -9.665
   73   1HB   ASN  12          HB2       ASN  12   3.996  -8.076  -8.575
   74   2HB   ASN  12          HB3       ASN  12   2.597  -7.176  -9.215
   75   1HD2  ASN  12          HD2       ASN  12   3.264  -9.884  -9.965
   76   2HD2  ASN  12          HD2       ASN  12   3.662  -9.821 -11.673
   77    H    VAL  13           H        VAL  13   2.611  -5.271  -7.577
   78    HA   VAL  13           HA       VAL  13   4.626  -4.491  -5.488
   79    HB   VAL  13           HB       VAL  13   3.473  -2.907  -7.216
   80   1HG1  VAL  13          HG1       VAL  13   1.359  -2.127  -6.710
   81   2HG1  VAL  13          HG1       VAL  13   1.208  -3.870  -6.353
   82   3HG1  VAL  13          HG1       VAL  13   1.405  -2.710  -5.026
   83   1HG2  VAL  13          HG2       VAL  13   4.967  -2.065  -5.546
   84   2HG2  VAL  13          HG2       VAL  13   3.472  -1.103  -5.568
   85   3HG2  VAL  13          HG2       VAL  13   3.738  -2.287  -4.279
   86    H    THR  14           H        THR  14   2.167  -6.650  -5.639
   87    HA   THR  14           HA       THR  14   0.738  -7.624  -4.148
   88    HB   THR  14           HB       THR  14   3.249  -7.129  -2.548
   89    HG1  THR  14           HG1      THR  14   2.838  -9.558  -3.265
   90   1HG2  THR  14          HG2       THR  14   2.540  -9.161  -1.264
   91   2HG2  THR  14          HG2       THR  14   1.591  -7.747  -0.869
   92   3HG2  THR  14          HG2       THR  14   0.902  -8.995  -1.936
   93    H    PHE  15           H        PHE  15  -0.890  -6.098  -4.321
   94    HA   PHE  15           HA       PHE  15  -1.558  -4.381  -2.031
   95   1HB   PHE  15          HB2       PHE  15  -2.875  -5.233  -4.577
   96   2HB   PHE  15          HB3       PHE  15  -3.919  -4.775  -3.234
   97    HD1  PHE  15           HD1      PHE  15  -0.845  -3.503  -4.965
   98    HD2  PHE  15           HD2      PHE  15  -4.700  -2.622  -3.263
   99    HE1  PHE  15           HE1      PHE  15  -0.785  -1.234  -5.971
  100    HE2  PHE  15           HE2      PHE  15  -4.654  -0.400  -4.323
  101    HZ   PHE  15           HZ       PHE  15  -2.713   0.281  -5.686
  102    H    ASP  16           H        ASP  16  -1.199  -5.811  -0.281
  103    HA   ASP  16           HA       ASP  16  -2.623  -8.291   0.063
  104   1HB   ASP  16          HB2       ASP  16  -1.199  -6.315   1.851
  105   2HB   ASP  16          HB3       ASP  16  -1.865  -7.850   2.452
  106    H    HIS  17           HN       HIS  17  -4.888  -7.348  -0.504
  107    HA   HIS  17           HA       HIS  17  -6.059  -5.467   1.252
  108   1HB   HIS  17          HB2       HIS  17  -6.864  -6.907  -0.980
  109   2HB   HIS  17          HB3       HIS  17  -8.001  -7.453   0.243
  110    HD1  HIS  17           HND      HIS  17  -8.203  -5.182  -2.348
  111    HD2  HIS  17           HD       HIS  17  -8.274  -4.659   1.804
  112    HE1  HIS  17           HE       HIS  17  -9.118  -2.862  -1.948
  113    H    LYS  18           H        LYS  18  -5.801  -8.927   1.495
  114    HA   LYS  18           HA       LYS  18  -7.050  -9.029   4.163
  115   1HB   LYS  18          HB2       LYS  18  -7.237 -10.859   2.416
  116   2HB   LYS  18          HB3       LYS  18  -5.554 -11.258   2.755
  117   1HG   LYS  18          HG2       LYS  18  -6.669 -12.722   4.188
  118   2HG   LYS  18          HG3       LYS  18  -6.343 -11.362   5.257
  119   1HD   LYS  18          HD2       LYS  18  -8.765 -10.562   4.323
  120   2HD   LYS  18          HD3       LYS  18  -8.960 -12.288   4.040
  121   1HE   LYS  18          HE2       LYS  18  -8.303 -10.884   6.676
  122   2HE   LYS  18          HE3       LYS  18  -9.865 -11.589   6.264
  123   1HZ   LYS  18          HZ1       LYS  18  -8.938 -13.768   6.515
  124   2HZ   LYS  18          HZ2       LYS  18  -7.375 -13.190   6.458
  125   3HZ   LYS  18          HZ3       LYS  18  -8.222 -12.848   7.728
  126    H    ALA  19           H        ALA  19  -3.689  -9.912   3.006
  127    HA   ALA  19           HA       ALA  19  -2.859 -10.614   5.565
  128   1HB   ALA  19          HB1       ALA  19  -1.060  -9.669   3.321
  129   2HB   ALA  19          HB2       ALA  19  -0.626 -10.711   4.674
  130   3HB   ALA  19          HB3       ALA  19  -1.767 -11.296   3.441
  131    H    HIS  20           HN       HIS  20  -2.595  -7.366   4.088
  132    HA   HIS  20           HA       HIS  20  -1.051  -6.307   6.314
  133   1HB   HIS  20          HB2       HIS  20  -2.543  -5.103   3.974
  134   2HB   HIS  20          HB3       HIS  20  -2.144  -4.133   5.369
  135    HD1  HIS  20           HND      HIS  20   0.236  -6.531   3.293
  136    HD2  HIS  20           HD       HIS  20  -0.273  -2.567   4.682
  137    HE1  HIS  20           HE       HIS  20   2.186  -5.272   2.523
  138    H    ALA  21           H        ALA  21  -4.519  -6.267   5.346
  139    HA   ALA  21           HA       ALA  21  -5.632  -4.854   7.483
  140   1HB   ALA  21          HB1       ALA  21  -7.699  -5.995   6.998
  141   2HB   ALA  21          HB2       ALA  21  -6.881  -5.500   5.496
  142   3HB   ALA  21          HB3       ALA  21  -6.877  -7.198   6.007
  143    H    GLU  22           H        GLU  22  -4.915  -8.354   7.361
  144    HA   GLU  22           HA       GLU  22  -6.055  -9.231   9.732
  145   1HB   GLU  22          HB2       GLU  22  -3.405 -10.045   8.495
  146   2HB   GLU  22          HB3       GLU  22  -4.314 -11.029   9.640
  147   1HG   GLU  22          HG2       GLU  22  -5.974 -10.181   7.337
  148   2HG   GLU  22          HG3       GLU  22  -4.534 -11.090   6.865
  149    H    LYS  23           H        LYS  23  -3.099  -7.307   9.371
  150    HA   LYS  23           HA       LYS  23  -2.544  -7.364  12.303
  151   1HB   LYS  23          HB2       LYS  23  -1.023  -6.459   9.831
  152   2HB   LYS  23          HB3       LYS  23  -0.494  -6.119  11.479
  153   1HG   LYS  23          HG2       LYS  23  -0.261  -8.454  12.005
  154   2HG   LYS  23          HG3       LYS  23  -1.077  -8.951  10.511
  155   1HD   LYS  23          HD2       LYS  23   0.710  -8.053   9.134
  156   2HD   LYS  23          HD3       LYS  23   1.540  -7.386  10.559
  157   1HE   LYS  23          HE2       LYS  23   1.894  -9.661  11.457
  158   2HE   LYS  23          HE3       LYS  23   0.989 -10.364  10.108
  159   1HZ   LYS  23          HZ1       LYS  23   2.677  -9.539   8.609
  160   2HZ   LYS  23          HZ2       LYS  23   3.521  -8.850   9.838
  161   3HZ   LYS  23          HZ3       LYS  23   3.375 -10.484   9.756
  162    H    LEU  24           H        LEU  24  -3.232  -5.159   9.588
  163    HA   LEU  24           HA       LEU  24  -3.119  -2.703  11.112
  164   1HB   LEU  24          HB2       LEU  24  -4.251  -3.350   8.382
  165   2HB   LEU  24          HB3       LEU  24  -4.037  -1.761   9.085
  166    HG   LEU  24           HG       LEU  24  -1.823  -3.687   8.311
  167   1HD1  LEU  24          HD1       LEU  24  -2.978  -2.409   6.496
  168   2HD1  LEU  24          HD1       LEU  24  -2.600  -0.908   7.338
  169   3HD1  LEU  24          HD1       LEU  24  -1.283  -1.911   6.702
  170   1HD2  LEU  24          HD2       LEU  24  -1.042  -2.563  10.321
  171   2HD2  LEU  24          HD2       LEU  24  -0.266  -1.842   8.913
  172   3HD2  LEU  24          HD2       LEU  24  -1.608  -0.989   9.706
  173    H    GLY  25           H        GLY  25  -5.987  -4.495   9.884
  174   1HA   GLY  25          HA2       GLY  25  -8.026  -4.591  11.007
  175   2HA   GLY  25          HA3       GLY  25  -7.661  -3.141  11.926
  176    H    CYS  26           HN       CYS  26  -7.442  -3.248   8.427
  177    HA   CYS  26           HA       CYS  26  -8.447  -2.177   6.707
  178   1HB   CYS  26          HB2       CYS  26 -10.896  -1.949   8.407
  179   2HB   CYS  26          HB3       CYS  26 -10.808  -1.736   6.657
  180    H    ASP  27           H        ASP  27  -9.404  -0.595   9.741
  181    HA   ASP  27           HA       ASP  27  -9.971   1.981   9.040
  182   1HB   ASP  27          HB2       ASP  27  -9.394   2.496  11.348
  183   2HB   ASP  27          HB3       ASP  27 -10.275   0.968  11.244
  184    H    ALA  28           H        ALA  28  -6.810   0.696   9.858
  185    HA   ALA  28           HA       ALA  28  -5.019   2.721   9.564
  186   1HB   ALA  28          HB1       ALA  28  -3.421   0.988   8.918
  187   2HB   ALA  28          HB2       ALA  28  -4.602   0.261  10.032
  188   3HB   ALA  28          HB3       ALA  28  -4.766   0.012   8.274
  189    H    CYS  29           HN       CYS  29  -6.805   1.322   6.814
  190    HA   CYS  29           HA       CYS  29  -5.318   3.111   4.892
  191   1HB   CYS  29          HB2       CYS  29  -6.728   0.470   4.467
  192   2HB   CYS  29          HB3       CYS  29  -6.087   1.526   3.205
  193    H    HIS  30           HN       HIS  30  -8.160   3.008   6.636
  194    HA   HIS  30           HA       HIS  30  -9.873   4.229   4.551
  195   1HB   HIS  30          HB2       HIS  30 -10.196   1.460   5.785
  196   2HB   HIS  30          HB3       HIS  30 -11.520   2.296   5.008
  197    HD1  HIS  30           HND      HIS  30 -10.072   3.210   2.348
  198    HD2  HIS  30           HD       HIS  30  -9.779  -0.501   4.200
  199    HE1  HIS  30           HE       HIS  30  -9.819   1.474   0.451
  200    H    GLU  31           H        GLU  31 -10.297   6.032   5.754
  201    HA   GLU  31           HA       GLU  31 -10.910   5.933   8.471
  202   1HB   GLU  31          HB2       GLU  31 -11.556   8.034   6.366
  203   2HB   GLU  31          HB3       GLU  31 -11.770   8.268   8.107
  204   1HG   GLU  31          HG2       GLU  31  -9.354   7.816   8.485
  205   2HG   GLU  31          HG3       GLU  31  -9.107   7.662   6.737
  206    H    GLY  32           H        GLY  32 -12.426   4.127   8.549
  207   1HA   GLY  32          HA2       GLY  32 -14.510   3.550   9.423
  208   2HA   GLY  32          HA3       GLY  32 -15.137   5.155   9.032
  209    H    THR  33           H        THR  33 -15.016   5.422   6.409
  210    HA   THR  33           HA       THR  33 -16.774   3.271   5.304
  211    HB   THR  33           HB       THR  33 -16.226   6.062   4.258
  212    HG1  THR  33           HG1      THR  33 -17.423   5.849   6.246
  213   1HG2  THR  33          HG2       THR  33 -16.916   4.500   2.441
  214   2HG2  THR  33          HG2       THR  33 -18.264   3.927   3.452
  215   3HG2  THR  33          HG2       THR  33 -18.236   5.601   2.870
  216    HA   PRO  34           HA       PRO  34 -12.855   2.344   3.037
  217   1HB   PRO  34          HB2       PRO  34 -13.334  -0.215   2.368
  218   2HB   PRO  34          HB3       PRO  34 -12.854   0.222   4.033
  219   1HG   PRO  34          HG2       PRO  34 -15.670  -0.238   2.985
  220   2HG   PRO  34          HG3       PRO  34 -14.922  -0.957   4.442
  221   1HD   PRO  34          HD2       PRO  34 -16.499   1.239   4.572
  222   2HD   PRO  34          HD3       PRO  34 -15.051   1.088   5.615
  223    H    ALA  35           H        ALA  35 -12.502   2.443   0.812
  224    HA   ALA  35           HA       ALA  35 -14.615   2.042  -1.143
  225   1HB   ALA  35          HB1       ALA  35 -13.742   4.871  -0.407
  226   2HB   ALA  35          HB2       ALA  35 -14.779   4.430  -1.784
  227   3HB   ALA  35          HB3       ALA  35 -15.350   4.174  -0.127
  228    H    LYS  36           H        LYS  36 -13.823   2.757  -3.371
  229    HA   LYS  36           HA       LYS  36 -11.132   1.787  -3.610
  230   1HB   LYS  36          HB2       LYS  36 -11.371   1.881  -5.944
  231   2HB   LYS  36          HB3       LYS  36 -12.650   0.972  -5.165
  232   1HG   LYS  36          HG2       LYS  36 -14.269   2.230  -6.065
  233   2HG   LYS  36          HG3       LYS  36 -13.510   3.750  -5.536
  234   1HD   LYS  36          HD2       LYS  36 -11.917   3.624  -7.431
  235   2HD   LYS  36          HD3       LYS  36 -12.677   2.110  -7.970
  236   1HE   LYS  36          HE2       LYS  36 -14.829   3.303  -8.319
  237   2HE   LYS  36          HE3       LYS  36 -14.105   4.811  -7.730
  238   1HZ   LYS  36          HZ1       LYS  36 -14.108   4.708 -10.139
  239   2HZ   LYS  36          HZ2       LYS  36 -12.562   4.722  -9.572
  240   3HZ   LYS  36          HZ3       LYS  36 -13.222   3.320 -10.119
  241    H    ILE  37           H        ILE  37  -9.903   3.205  -2.570
  242    HA   ILE  37           HA       ILE  37  -9.318   5.915  -3.297
  243    HB   ILE  37           HB       ILE  37  -7.526   3.728  -2.169
  244   1HG1  ILE  37          HG1       ILE  37  -8.840   6.014  -0.646
  245   2HG1  ILE  37          HG1       ILE  37  -9.641   4.455  -0.837
  246   1HG2  ILE  37          HG2       ILE  37  -6.145   5.539  -3.125
  247   2HG2  ILE  37          HG2       ILE  37  -7.117   6.754  -2.273
  248   3HG2  ILE  37          HG2       ILE  37  -6.088   5.625  -1.373
  249   1HD1  ILE  37          HD1       ILE  37  -6.954   4.856   0.523
  250   2HD1  ILE  37          HD1       ILE  37  -8.508   4.495   1.279
  251   3HD1  ILE  37          HD1       ILE  37  -7.743   3.292   0.223
  252    H    ALA  38           H        ALA  38  -8.464   6.706  -5.194
  253    HA   ALA  38           HA       ALA  38  -7.458   4.940  -7.258
  254   1HB   ALA  38          HB1       ALA  38  -8.628   7.020  -7.801
  255   2HB   ALA  38          HB2       ALA  38  -7.330   7.968  -7.033
  256   3HB   ALA  38          HB3       ALA  38  -6.984   6.989  -8.478
  257    H    ILE  39           H        ILE  39  -5.566   3.989  -7.243
  258    HA   ILE  39           HA       ILE  39  -3.174   5.259  -5.990
  259    HB   ILE  39           HB       ILE  39  -3.776   2.385  -6.738
  260   1HG1  ILE  39          HG1       ILE  39  -5.130   3.161  -4.816
  261   2HG1  ILE  39          HG1       ILE  39  -3.960   1.940  -4.408
  262   1HG2  ILE  39          HG2       ILE  39  -1.448   2.599  -6.913
  263   2HG2  ILE  39          HG2       ILE  39  -1.385   3.818  -5.617
  264   3HG2  ILE  39          HG2       ILE  39  -1.638   2.117  -5.216
  265   1HD1  ILE  39          HD1       ILE  39  -3.683   4.929  -3.834
  266   2HD1  ILE  39          HD1       ILE  39  -4.050   3.655  -2.667
  267   3HD1  ILE  39          HD1       ILE  39  -2.457   3.701  -3.436
  268    H    ASP  40           H        ASP  40  -1.386   5.747  -7.214
  269    HA   ASP  40           HA       ASP  40  -0.947   4.571  -9.786
  270   1HB   ASP  40          HB2       ASP  40  -1.330   6.340 -11.203
  271   2HB   ASP  40          HB3       ASP  40  -2.673   6.553 -10.100
  272    H    LYS  41           H        LYS  41   0.901   5.801 -10.875
  273    HA   LYS  41           HA       LYS  41   3.075   5.878  -9.111
  274   1HB   LYS  41          HB2       LYS  41   4.546   6.054 -10.949
  275   2HB   LYS  41          HB3       LYS  41   3.287   4.841 -11.130
  276   1HG   LYS  41          HG2       LYS  41   2.049   6.523 -12.653
  277   2HG   LYS  41          HG3       LYS  41   3.565   7.470 -12.637
  278   1HD   LYS  41          HD2       LYS  41   4.795   5.368 -13.256
  279   2HD   LYS  41          HD3       LYS  41   3.217   4.523 -13.337
  280   1HE   LYS  41          HE2       LYS  41   2.550   5.878 -15.251
  281   2HE   LYS  41          HE3       LYS  41   4.104   6.735 -15.213
  282   1HZ   LYS  41          HZ1       LYS  41   4.052   4.834 -16.804
  283   2HZ   LYS  41          HZ2       LYS  41   5.215   4.647 -15.668
  284   3HZ   LYS  41          HZ3       LYS  41   3.883   3.760 -15.585
  285    H    LYS  42           H        LYS  42   1.161   8.184  -8.769
  286    HA   LYS  42           HA       LYS  42   3.483   9.802  -7.788
  287   1HB   LYS  42          HB2       LYS  42   0.711  10.998  -8.110
  288   2HB   LYS  42          HB3       LYS  42   2.227  11.777  -7.691
  289   1HG   LYS  42          HG2       LYS  42   1.961  12.487  -9.865
  290   2HG   LYS  42          HG3       LYS  42   2.995  11.061 -10.117
  291   1HD   LYS  42          HD2       LYS  42   0.964   9.713 -10.533
  292   2HD   LYS  42          HD3       LYS  42  -0.079  11.093 -10.208
  293   1HE   LYS  42          HE2       LYS  42   0.891  12.166 -12.293
  294   2HE   LYS  42          HE3       LYS  42   1.837  10.681 -12.533
  295   1HZ   LYS  42          HZ1       LYS  42  -0.460   9.561 -12.238
  296   2HZ   LYS  42          HZ2       LYS  42  -1.089  10.994 -12.602
  297   3HZ   LYS  42          HZ3       LYS  42  -0.126  10.249 -13.720
  298    H    SER  43           H        SER  43   0.057   8.853  -7.280
  299    HA   SER  43           HA       SER  43  -0.236   9.594  -4.628
  300   1HB   SER  43          HB2       SER  43  -1.533   7.110  -5.792
  301   2HB   SER  43          HB3       SER  43  -2.199   8.270  -4.645
  302    HG   SER  43           HG       SER  43  -1.693   8.647  -7.437
  303    H    ALA  44           H        ALA  44   0.807   6.397  -5.856
  304    HA   ALA  44           HA       ALA  44   1.178   5.226  -3.231
  305   1HB   ALA  44          HB1       ALA  44   0.688   3.819  -5.115
  306   2HB   ALA  44          HB2       ALA  44   2.125   4.378  -5.990
  307   3HB   ALA  44          HB3       ALA  44   2.297   3.419  -4.507
  308    H    HIS  45           HN       HIS  45   3.099   7.536  -4.803
  309    HA   HIS  45           HA       HIS  45   5.655   6.495  -3.647
  310   1HB   HIS  45          HB2       HIS  45   5.225   8.394  -5.957
  311   2HB   HIS  45          HB3       HIS  45   6.775   7.780  -5.358
  312    HD1  HIS  45           HND      HIS  45   3.555   6.525  -7.036
  313    HD2  HIS  45           HD       HIS  45   7.366   5.190  -5.913
  314    HE1  HIS  45           HE       HIS  45   3.776   4.187  -7.933
  315    H    LYS  46           H        LYS  46   3.348   9.111  -3.599
  316    HA   LYS  46           HA       LYS  46   5.134  11.026  -2.232
  317   1HB   LYS  46          HB2       LYS  46   2.149  11.010  -2.849
  318   2HB   LYS  46          HB3       LYS  46   2.997  12.303  -1.970
  319   1HG   LYS  46          HG2       LYS  46   4.317  12.883  -3.895
  320   2HG   LYS  46          HG3       LYS  46   3.877  11.393  -4.719
  321   1HD   LYS  46          HD2       LYS  46   2.688  13.097  -5.788
  322   2HD   LYS  46          HD3       LYS  46   1.498  12.159  -4.898
  323   1HE   LYS  46          HE2       LYS  46   2.713  14.825  -3.961
  324   2HE   LYS  46          HE3       LYS  46   1.233  14.697  -4.916
  325   1HZ   LYS  46          HZ1       LYS  46   0.687  14.893  -2.625
  326   2HZ   LYS  46          HZ2       LYS  46   0.252  13.394  -3.136
  327   3HZ   LYS  46          HZ3       LYS  46   1.594  13.593  -2.211
  328    H    ASP  47           H        ASP  47   2.058   9.425  -1.373
  329    HA   ASP  47           HA       ASP  47   2.833   9.447   1.484
  330   1HB   ASP  47          HB2       ASP  47   1.874  11.681   0.754
  331   2HB   ASP  47          HB3       ASP  47   0.333  10.844   0.457
  332    H    ALA  48           H        ALA  48   0.099   8.599  -0.752
  333    HA   ALA  48           HA       ALA  48  -1.114   6.732   0.998
  334   1HB   ALA  48          HB1       ALA  48  -2.148   7.503  -1.109
  335   2HB   ALA  48          HB2       ALA  48  -0.925   6.604  -2.037
  336   3HB   ALA  48          HB3       ALA  48  -2.078   5.728  -1.015
  337    H    CYS  49           HN       CYS  49  -0.456   4.815   1.742
  338    HA   CYS  49           HA       CYS  49   0.745   2.956   2.185
  339   1HB   CYS  49          HB2       CYS  49   1.816   3.065  -0.648
  340   2HB   CYS  49          HB3       CYS  49   1.894   1.732   0.485
  341    H    LYS  50           H        LYS  50   2.892   5.055   0.200
  342    HA   LYS  50           HA       LYS  50   5.292   4.537   1.456
  343   1HB   LYS  50          HB2       LYS  50   4.087   7.000   0.218
  344   2HB   LYS  50          HB3       LYS  50   5.690   7.094   0.937
  345   1HG   LYS  50          HG2       LYS  50   5.206   4.760  -0.902
  346   2HG   LYS  50          HG3       LYS  50   5.189   6.371  -1.579
  347   1HD   LYS  50          HD2       LYS  50   7.409   5.394  -1.789
  348   2HD   LYS  50          HD3       LYS  50   7.421   6.873  -0.823
  349   1HE   LYS  50          HE2       LYS  50   7.538   5.545   1.262
  350   2HE   LYS  50          HE3       LYS  50   7.437   4.033   0.347
  351   1HZ   LYS  50          HZ1       LYS  50   9.720   4.805   1.051
  352   2HZ   LYS  50          HZ2       LYS  50   9.608   4.377  -0.498
  353   3HZ   LYS  50          HZ3       LYS  50   9.617   5.977  -0.087
  354    H    THR  51           H        THR  51   3.041   7.174   2.603
  355    HA   THR  51           HA       THR  51   4.882   7.888   4.676
  356    HB   THR  51           HB       THR  51   2.012   8.651   4.233
  357    HG1  THR  51           HG1      THR  51   3.085  10.510   3.640
  358   1HG2  THR  51          HG2       THR  51   3.958   9.638   6.378
  359   2HG2  THR  51          HG2       THR  51   2.454  10.450   5.898
  360   3HG2  THR  51          HG2       THR  51   2.383   8.861   6.670
  361    H    CYS  52           HN       CYS  52   2.340   5.439   4.763
  362    HA   CYS  52           HA       CYS  52   2.620   4.950   7.633
  363   1HB   CYS  52          HB2       CYS  52   0.764   4.029   6.399
  364   2HB   CYS  52          HB3       CYS  52   1.867   3.067   5.387
  365    H    HIS  53           HN       HIS  53   4.046   3.384   4.738
  366    HA   HIS  53           HA       HIS  53   6.009   1.818   5.991
  367   1HB   HIS  53          HB2       HIS  53   5.662   3.080   3.280
  368   2HB   HIS  53          HB3       HIS  53   7.203   2.346   3.696
  369    HD1  HIS  53           HND      HIS  53   7.321   0.003   2.942
  370    HD2  HIS  53           HD       HIS  53   3.445   1.147   4.012
  371    HE1  HIS  53           HE       HIS  53   5.834  -2.034   2.546
  372    H    LYS  54           H        LYS  54   6.277   5.289   5.186
  373    HA   LYS  54           HA       LYS  54   8.994   5.887   5.801
  374   1HB   LYS  54          HB2       LYS  54   6.600   7.606   6.182
  375   2HB   LYS  54          HB3       LYS  54   8.314   8.049   6.227
  376   1HG   LYS  54          HG2       LYS  54   8.529   6.994   3.905
  377   2HG   LYS  54          HG3       LYS  54   6.780   7.132   3.821
  378   1HD   LYS  54          HD2       LYS  54   7.279   9.598   4.736
  379   2HD   LYS  54          HD3       LYS  54   8.882   9.174   4.125
  380   1HE   LYS  54          HE2       LYS  54   8.042  10.149   2.158
  381   2HE   LYS  54          HE3       LYS  54   7.408   8.526   1.907
  382   1HZ   LYS  54          HZ1       LYS  54   5.271   9.450   3.014
  383   2HZ   LYS  54          HZ2       LYS  54   5.967  10.900   2.931
  384   3HZ   LYS  54          HZ3       LYS  54   5.638  10.087   1.553
  385    H    SER  55           H        SER  55   6.074   5.501   7.852
  386    HA   SER  55           HA       SER  55   7.616   6.151  10.336
  387   1HB   SER  55          HB2       SER  55   5.679   7.638   9.541
  388   2HB   SER  55          HB3       SER  55   4.611   6.280   9.913
  389    HG   SER  55           HG       SER  55   6.435   7.496  11.754
  390    H    ASN  56           H        ASN  56   7.543   3.500   8.934
  391    HA   ASN  56           HA       ASN  56   6.643   1.842  11.219
  392   1HB   ASN  56          HB2       ASN  56   5.810   1.620   8.303
  393   2HB   ASN  56          HB3       ASN  56   6.118   0.154   9.214
  394   1HD2  ASN  56          HD2       ASN  56   4.631   2.879  10.991
  395   2HD2  ASN  56          HD2       ASN  56   3.061   2.087  11.031
  396    H    ASN  57           H        ASN  57   7.875   0.058  11.472
  397    HA   ASN  57           HA       ASN  57  10.599   0.038  10.410
  398   1HB   ASN  57          HB2       ASN  57   9.137  -2.045  12.085
  399   2HB   ASN  57          HB3       ASN  57  10.880  -1.952  11.797
  400   1HD2  ASN  57          HD2       ASN  57   8.267  -0.832  13.802
  401   2HD2  ASN  57          HD2       ASN  57   9.234   0.336  14.694
  402    H    GLY  58           H        GLY  58   9.563   0.057   8.134
  403   1HA   GLY  58          HA2       GLY  58   9.519  -2.721   7.031
  404   2HA   GLY  58          HA3       GLY  58   8.149  -1.634   6.734
  405    HA   PRO  59           HA       PRO  59  11.688  -1.198   3.654
  406   1HB   PRO  59          HB2       PRO  59  10.558  -2.143   1.358
  407   2HB   PRO  59          HB3       PRO  59  11.246  -3.217   2.610
  408   1HG   PRO  59          HG2       PRO  59   8.342  -2.429   2.260
  409   2HG   PRO  59          HG3       PRO  59   9.008  -4.076   2.442
  410   1HD   PRO  59          HD2       PRO  59   8.002  -2.723   4.576
  411   2HD   PRO  59          HD3       PRO  59   9.468  -3.730   4.752
  412    H    THR  60           H        THR  60  11.977   0.329   2.004
  413    HA   THR  60           HA       THR  60   9.732   2.226   1.451
  414    HB   THR  60           HB       THR  60  10.840   2.886   3.536
  415    HG1  THR  60           HG1      THR  60  11.293   5.032   2.833
  416   1HG2  THR  60          HG2       THR  60  13.319   3.439   1.838
  417   2HG2  THR  60          HG2       THR  60  13.089   3.809   3.552
  418   3HG2  THR  60          HG2       THR  60  13.168   2.124   3.030
  419    H    LYS  61           H        LYS  61  12.995   1.181   0.529
  420    HA   LYS  61           HA       LYS  61  13.280   2.785  -1.815
  421   1HB   LYS  61          HB2       LYS  61  15.125   1.722  -0.612
  422   2HB   LYS  61          HB3       LYS  61  14.456   0.117  -0.941
  423   1HG   LYS  61          HG2       LYS  61  14.897   0.388  -3.345
  424   2HG   LYS  61          HG3       LYS  61  15.494   2.046  -3.063
  425   1HD   LYS  61          HD2       LYS  61  17.341   1.149  -1.674
  426   2HD   LYS  61          HD3       LYS  61  16.632  -0.462  -1.735
  427   1HE   LYS  61          HE2       LYS  61  18.492  -0.449  -3.237
  428   2HE   LYS  61          HE3       LYS  61  17.009  -0.587  -4.186
  429   1HZ   LYS  61          HZ1       LYS  61  18.559   0.996  -5.138
  430   2HZ   LYS  61          HZ2       LYS  61  17.195   1.781  -4.671
  431   3HZ   LYS  61          HZ3       LYS  61  18.564   1.897  -3.766
  432    H    CYS  62           HN       CYS  62  13.027   2.211  -4.001
  433    HA   CYS  62           HA       CYS  62  10.723   1.175  -4.946
  434   1HB   CYS  62          HB2       CYS  62  13.234   0.671  -6.522
  435   2HB   CYS  62          HB3       CYS  62  11.643   1.158  -7.090
  436    H    GLY  63           H        GLY  63  13.670  -0.831  -5.102
  437   1HA   GLY  63          HA2       GLY  63  12.251  -3.256  -5.673
  438   2HA   GLY  63          HA3       GLY  63  13.958  -3.095  -5.264
  439    H    GLY  64           H        GLY  64  11.947  -1.737  -2.813
  440   1HA   GLY  64          HA2       GLY  64  11.781  -4.285  -1.245
  441   2HA   GLY  64          HA3       GLY  64  11.895  -2.657  -0.569
  442    H    CYS  65           HN       CYS  65   9.986  -2.265  -3.256
  443    HA   CYS  65           HA       CYS  65   7.436  -3.139  -1.945
  444   1HB   CYS  65          HB2       CYS  65   7.888  -0.685  -1.744
  445   2HB   CYS  65          HB3       CYS  65   7.803  -0.604  -3.519
  446    H    HIS  66           HN       HIS  66   9.044  -2.209  -5.015
  447    HA   HIS  66           HA       HIS  66   7.219  -3.846  -6.651
  448   1HB   HIS  66          HB2       HIS  66   9.800  -2.335  -7.237
  449   2HB   HIS  66          HB3       HIS  66   8.895  -3.220  -8.415
  450    HD1  HIS  66           HND      HIS  66   6.469  -2.393  -9.048
  451    HD2  HIS  66           HD       HIS  66   8.711   0.107  -6.540
  452    HE1  HIS  66           HE       HIS  66   5.330  -0.133  -9.088
  453    H    ILE  67           H        ILE  67   7.489  -5.955  -7.086
  454    HA   ILE  67           HA       ILE  67   9.679  -7.618  -6.299
  455    HB   ILE  67           HB       ILE  67   7.708  -7.834  -8.608
  456   1HG1  ILE  67          HG1       ILE  67   6.618  -7.781  -6.385
  457   2HG1  ILE  67          HG1       ILE  67   6.394  -9.290  -7.252
  458   1HG2  ILE  67          HG2       ILE  67   9.610  -9.936  -7.514
  459   2HG2  ILE  67          HG2       ILE  67   8.185 -10.311  -8.505
  460   3HG2  ILE  67          HG2       ILE  67   9.483  -9.328  -9.177
  461   1HD1  ILE  67          HD1       ILE  67   6.794  -9.653  -4.855
  462   2HD1  ILE  67          HD1       ILE  67   8.101 -10.376  -5.801
  463   3HD1  ILE  67          HD1       ILE  67   8.355  -8.833  -4.949
  464    H    LYS  68           H        LYS  68  11.432  -8.523  -7.572
  465    HA   LYS  68           HA       LYS  68  12.240  -7.395 -10.073
  466   1HB   LYS  68          HB2       LYS  68  14.382  -6.514  -9.202
  467   2HB   LYS  68          HB3       LYS  68  13.004  -5.525  -8.702
  468   1HG   LYS  68          HG2       LYS  68  13.136  -6.161  -6.480
  469   2HG   LYS  68          HG3       LYS  68  13.771  -7.762  -6.864
  470   1HD   LYS  68          HD2       LYS  68  15.943  -6.784  -7.530
  471   2HD   LYS  68          HD3       LYS  68  15.377  -5.181  -6.999
  472   1HE   LYS  68          HE2       LYS  68  15.089  -6.015  -4.693
  473   2HE   LYS  68          HE3       LYS  68  15.416  -7.676  -5.212
  474   1HZ   LYS  68          HZ1       LYS  68  17.348  -6.704  -4.202
  475   2HZ   LYS  68          HZ2       LYS  68  17.640  -7.039  -5.786
  476   3HZ   LYS  68          HZ3       LYS  68  17.379  -5.485  -5.312
  477    HHA  HEC 130           HCM      HEC  30 -10.698  -0.289  -2.894
  478    HHB  HEC 130           HDM      HEC  30 -13.385  -2.868   2.160
  479    HHC  HEC 130           HAM      HEC  30  -7.693  -3.513   4.709
  480    HHD  HEC 130           HBM      HEC  30  -5.455   0.185   0.343
  481   1HMA  HEC 130          HM8       HEC  30 -15.299  -1.716  -0.889
  482   2HMA  HEC 130          HM8       HEC  30 -14.874  -3.099   0.122
  483   3HMA  HEC 130          HM8       HEC  30 -15.099  -1.482   0.847
  484   1HAA  HEC 130          HP7       HEC  30 -12.838   0.089  -3.061
  485   2HAA  HEC 130          HP7       HEC  30 -14.312  -0.088  -2.135
  486   1HBA  HEC 130          HP7       HEC  30 -14.400  -2.498  -2.970
  487   2HBA  HEC 130          HP7       HEC  30 -13.080  -2.068  -4.062
  488   1HMB  HEC 130          HM1       HEC  30 -13.612  -3.174   4.630
  489   2HMB  HEC 130          HM1       HEC  30 -13.390  -4.776   3.883
  490   3HMB  HEC 130          HM1       HEC  30 -12.827  -4.465   5.532
  491    HAB  HEC 130           HT2      HEC  30  -8.965  -4.455   6.017
  492   1HBB  HEC 130          HT2       HEC  30 -11.312  -6.258   5.384
  493   2HBB  HEC 130          HT2       HEC  30  -9.652  -6.442   4.772
  494   3HBB  HEC 130          HT2       HEC  30  -9.991  -6.604   6.508
  495   1HMC  HEC 130          HM3       HEC  30  -5.336  -4.002   4.348
  496   2HMC  HEC 130          HM3       HEC  30  -4.055  -2.815   4.194
  497   3HMC  HEC 130          HM3       HEC  30  -5.325  -2.550   5.401
  498    HAC  HEC 130           HT4      HEC  30  -4.390   0.579   2.073
  499   1HBC  HEC 130          HT4       HEC  30  -2.186  -0.212   2.410
  500   2HBC  HEC 130          HT4       HEC  30  -2.738  -1.851   2.775
  501   3HBC  HEC 130          HT4       HEC  30  -3.049  -1.139   1.168
  502   1HMD  HEC 130          HM5       HEC  30  -4.887   0.416  -1.856
  503   2HMD  HEC 130          HM5       HEC  30  -5.696   1.476  -3.033
  504   3HMD  HEC 130          HM5       HEC  30  -5.524   1.992  -1.355
  505   1HAD  HEC 130          HP6       HEC  30  -7.406   1.173  -4.262
  506   2HAD  HEC 130          HP6       HEC  30  -9.127   1.191  -4.131
  507   1HBD  HEC 130          HP6       HEC  30  -9.153  -1.305  -4.393
  508   2HBD  HEC 130          HP6       HEC  30  -7.391  -1.271  -4.495
  509    HHA  HEC 153           HCM      HEC  53   5.441  -5.361   4.519
  510    HHB  HEC 153           HDM      HEC  53   3.424  -3.199  -0.969
  511    HHC  HEC 153           HAM      HEC  53  -0.242   0.827   1.980
  512    HHD  HEC 153           HBM      HEC  53   2.335  -0.794   7.437
  513   1HMA  HEC 153          HM8       HEC  53   5.375  -4.232  -1.415
  514   2HMA  HEC 153          HM8       HEC  53   6.313  -5.528  -0.680
  515   3HMA  HEC 153          HM8       HEC  53   4.613  -5.798  -1.086
  516   1HAA  HEC 153          HP7       HEC  53   6.628  -6.363   3.066
  517   2HAA  HEC 153          HP7       HEC  53   7.175  -6.110   1.433
  518   1HBA  HEC 153          HP7       HEC  53   4.623  -7.658   1.850
  519   2HBA  HEC 153          HP7       HEC  53   6.147  -8.413   2.304
  520   1HMB  HEC 153          HM1       HEC  53   2.859  -1.678  -2.379
  521   2HMB  HEC 153          HM1       HEC  53   1.158  -2.115  -2.598
  522   3HMB  HEC 153          HM1       HEC  53   1.702  -0.407  -2.633
  523    HAB  HEC 153           HT2      HEC  53  -1.305   0.004  -0.041
  524   1HBB  HEC 153          HT2       HEC  53  -0.866  -0.925  -2.320
  525   2HBB  HEC 153          HT2       HEC  53  -1.813   0.561  -2.235
  526   3HBB  HEC 153          HT2       HEC  53  -0.144   0.664  -2.732
  527   1HMC  HEC 153          HM3       HEC  53  -0.555   2.895   4.682
  528   2HMC  HEC 153          HM3       HEC  53  -1.296   1.991   3.369
  529   3HMC  HEC 153          HM3       HEC  53  -1.822   1.691   4.997
  530    HAC  HEC 153           HT4      HEC  53   0.458   0.289   7.900
  531   1HBC  HEC 153          HT4       HEC  53  -0.984   2.028   8.515
  532   2HBC  HEC 153          HT4       HEC  53  -1.005   2.748   6.917
  533   3HBC  HEC 153          HT4       HEC  53  -1.733   1.152   7.180
  534   1HMD  HEC 153          HM5       HEC  53   4.620  -1.945   8.884
  535   2HMD  HEC 153          HM5       HEC  53   2.886  -2.321   9.013
  536   3HMD  HEC 153          HM5       HEC  53   4.089  -3.589   9.226
  537   1HAD  HEC 153          HP6       HEC  53   5.162  -6.025   6.593
  538   2HAD  HEC 153          HP6       HEC  53   4.744  -5.378   8.150
  539   1HBD  HEC 153          HP6       HEC  53   6.745  -3.968   8.176
  540   2HBD  HEC 153          HP6       HEC  53   7.151  -4.491   6.535
  541    HHA  HEC 166           HCM      HEC  66   3.303   1.834 -10.564
  542    HHB  HEC 166           HDM      HEC  66   9.213   3.634 -10.560
  543    HHC  HEC 166           HAM      HEC  66   9.432   3.000  -4.377
  544    HHD  HEC 166           HBM      HEC  66   3.566   0.998  -4.386
  545   1HMA  HEC 166          HM8       HEC  66   7.965   4.497 -12.653
  546   2HMA  HEC 166          HM8       HEC  66   8.634   2.849 -12.749
  547   3HMA  HEC 166          HM8       HEC  66   7.186   3.263 -13.657
  548   1HAA  HEC 166          HP7       HEC  66   4.982   3.199 -13.451
  549   2HAA  HEC 166          HP7       HEC  66   3.697   2.363 -12.602
  550   1HBA  HEC 166          HP7       HEC  66   4.869   0.238 -12.983
  551   2HBA  HEC 166          HP7       HEC  66   6.221   1.094 -13.722
  552   1HMB  HEC 166          HM1       HEC  66  12.342   4.131  -8.633
  553   2HMB  HEC 166          HM1       HEC  66  11.469   3.332  -9.927
  554   3HMB  HEC 166          HM1       HEC  66  11.158   5.050  -9.573
  555    HAB  HEC 166           HT2      HEC  66  11.269   3.811  -4.875
  556   1HBB  HEC 166          HT2       HEC  66  12.181   5.723  -7.038
  557   2HBB  HEC 166          HT2       HEC  66  10.988   6.081  -5.781
  558   3HBB  HEC 166          HT2       HEC  66  12.666   5.707  -5.339
  559   1HMC  HEC 166          HM3       HEC  66   9.085   1.468  -2.449
  560   2HMC  HEC 166          HM3       HEC  66   8.613   3.166  -2.232
  561   3HMC  HEC 166          HM3       HEC  66   7.818   1.904  -1.312
  562    HAC  HEC 166           HT4      HEC  66   4.218   0.819  -2.407
  563   1HBC  HEC 166          HT4       HEC  66   4.676   0.720  -0.231
  564   2HBC  HEC 166          HT4       HEC  66   6.409   0.624  -0.413
  565   3HBC  HEC 166          HT4       HEC  66   5.552   2.176  -0.718
  566   1HMD  HEC 166          HM5       HEC  66   1.330   1.421  -4.865
  567   2HMD  HEC 166          HM5       HEC  66   0.336   0.990  -6.245
  568   3HMD  HEC 166          HM5       HEC  66   1.379  -0.224  -5.494
  569   1HAD  HEC 166          HP6       HEC  66   0.354   2.045  -8.575
  570   2HAD  HEC 166          HP6       HEC  66   0.524   0.306  -8.389
  571   1HBD  HEC 166          HP6       HEC  66   0.020   0.473 -10.572
  572   2HBD  HEC 166          HP6       HEC  66   1.742   0.263 -10.592
  Start of MODEL    2
    1   1H    ALA   1          H1        ALA   1  -9.263  -6.478  -3.503
    2   2H    ALA   1          H2        ALA   1 -10.459  -5.799  -2.636
    3   3H    ALA   1          H3        ALA   1  -8.948  -5.857  -2.002
    4    HA   ALA   1           HA       ALA   1 -10.487  -7.473  -1.024
    5   1HB   ALA   1          HB1       ALA   1 -10.434  -8.676  -3.818
    6   2HB   ALA   1          HB2       ALA   1 -11.235  -9.366  -2.390
    7   3HB   ALA   1          HB3       ALA   1 -11.807  -7.832  -3.071
    8    H    ASP   2           H        ASP   2  -9.765  -9.718  -0.385
    9    HA   ASP   2           HA       ASP   2  -7.469 -10.425   0.447
   10   1HB   ASP   2          HB2       ASP   2  -9.212 -12.117  -1.392
   11   2HB   ASP   2          HB3       ASP   2  -8.080 -12.741  -0.189
   12    H    VAL   3           H        VAL   3  -5.514  -9.741  -0.365
   13    HA   VAL   3           HA       VAL   3  -3.688  -9.498  -1.679
   14    HB   VAL   3           HB       VAL   3  -4.300 -12.419  -2.132
   15   1HG1  VAL   3          HG1       VAL   3  -2.561 -11.733  -3.766
   16   2HG1  VAL   3          HG1       VAL   3  -1.690 -10.856  -2.491
   17   3HG1  VAL   3          HG1       VAL   3  -1.809 -12.625  -2.450
   18   1HG2  VAL   3          HG2       VAL   3  -4.067 -11.729   0.269
   19   2HG2  VAL   3          HG2       VAL   3  -2.735 -12.763  -0.268
   20   3HG2  VAL   3          HG2       VAL   3  -2.481 -11.017  -0.123
   21    H    VAL   4           H        VAL   4  -4.344  -7.933  -3.134
   22    HA   VAL   4           HA       VAL   4  -5.661  -8.722  -5.639
   23    HB   VAL   4           HB       VAL   4  -4.409  -6.038  -4.943
   24   1HG1  VAL   4          HG1       VAL   4  -6.548  -6.848  -6.959
   25   2HG1  VAL   4          HG1       VAL   4  -6.017  -5.189  -6.625
   26   3HG1  VAL   4          HG1       VAL   4  -4.894  -6.341  -7.352
   27   1HG2  VAL   4          HG2       VAL   4  -6.047  -6.514  -3.226
   28   2HG2  VAL   4          HG2       VAL   4  -6.716  -5.334  -4.353
   29   3HG2  VAL   4          HG2       VAL   4  -7.232  -7.031  -4.458
   30    H    THR   5           H        THR   5  -2.513  -7.334  -4.810
   31    HA   THR   5           HA       THR   5  -0.615  -7.035  -5.856
   32    HB   THR   5           HB       THR   5  -1.182  -9.747  -6.496
   33    HG1  THR   5           HG1      THR   5   1.215  -8.241  -6.614
   34   1HG2  THR   5          HG2       THR   5  -1.359  -9.151  -8.901
   35   2HG2  THR   5          HG2       THR   5   0.254  -8.390  -8.817
   36   3HG2  THR   5          HG2       THR   5   0.073 -10.126  -8.541
   37    H    TYR   6           H        TYR   6   0.248  -5.674  -7.339
   38    HA   TYR   6           HA       TYR   6  -1.574  -4.797  -9.585
   39   1HB   TYR   6          HB2       TYR   6  -0.121  -3.254  -7.524
   40   2HB   TYR   6          HB3       TYR   6   0.071  -2.654  -9.147
   41    HD1  TYR   6           HD1      TYR   6  -1.340  -0.770  -9.291
   42    HD2  TYR   6           HD2      TYR   6  -2.850  -4.284  -7.330
   43    HE1  TYR   6           HE1      TYR   6  -3.314   0.512  -8.521
   44    HE2  TYR   6           HE2      TYR   6  -4.833  -2.997  -6.572
   45    HH   TYR   6           HH       TYR   6  -6.100  -0.921  -7.048
   46    H    GLU   7           H        GLU   7  -0.831  -5.514 -11.420
   47    HA   GLU   7           HA       GLU   7   2.062  -5.833 -11.854
   48   1HB   GLU   7          HB2       GLU   7  -0.270  -6.878 -13.471
   49   2HB   GLU   7          HB3       GLU   7   1.444  -7.317 -13.612
   50   1HG   GLU   7          HG2       GLU   7   1.116  -7.798 -11.001
   51   2HG   GLU   7          HG3       GLU   7  -0.575  -7.985 -11.435
   52    H    ASN   8           H        ASN   8   3.135  -4.204 -12.607
   53    HA   ASN   8           HA       ASN   8   2.014  -2.387 -14.687
   54   1HB   ASN   8          HB2       ASN   8   2.907  -0.520 -13.434
   55   2HB   ASN   8          HB3       ASN   8   1.790  -1.387 -12.411
   56   1HD2  ASN   8          HD2       ASN   8   2.693  -2.808 -10.667
   57   2HD2  ASN   8          HD2       ASN   8   4.365  -2.557 -10.173
   58    H    ALA   9           H        ALA   9   4.122  -0.869 -15.288
   59    HA   ALA   9           HA       ALA   9   5.766  -2.882 -16.663
   60   1HB   ALA   9          HB1       ALA   9   5.934   0.145 -16.676
   61   2HB   ALA   9          HB2       ALA   9   6.672  -0.983 -17.834
   62   3HB   ALA   9          HB3       ALA   9   4.894  -0.827 -17.750
   63    H    ALA  10           H        ALA  10   6.075  -0.727 -13.887
   64    HA   ALA  10           HA       ALA  10   9.040  -1.031 -13.838
   65   1HB   ALA  10          HB1       ALA  10   7.203   0.685 -12.141
   66   2HB   ALA  10          HB2       ALA  10   8.976   0.775 -12.230
   67   3HB   ALA  10          HB3       ALA  10   7.994   1.203 -13.648
   68    H    GLY  11           H        GLY  11   7.539  -3.425 -13.276
   69   1HA   GLY  11          HA2       GLY  11   8.203  -5.186 -11.656
   70   2HA   GLY  11          HA3       GLY  11   8.641  -3.963 -10.541
   71    H    ASN  12           H        ASN  12   6.462  -6.349 -10.982
   72    HA   ASN  12           HA       ASN  12   4.015  -4.899 -10.326
   73   1HB   ASN  12          HB2       ASN  12   2.906  -6.906  -9.945
   74   2HB   ASN  12          HB3       ASN  12   3.824  -7.051 -11.453
   75   1HD2  ASN  12          HD2       ASN  12   3.258  -9.470 -11.001
   76   2HD2  ASN  12          HD2       ASN  12   4.438 -10.292  -9.982
   77    H    VAL  13           H        VAL  13   2.826  -5.304  -8.278
   78    HA   VAL  13           HA       VAL  13   4.577  -5.611  -5.885
   79    HB   VAL  13           HB       VAL  13   4.674  -3.283  -6.332
   80   1HG1  VAL  13          HG1       VAL  13   2.743  -3.060  -7.899
   81   2HG1  VAL  13          HG1       VAL  13   1.674  -3.252  -6.487
   82   3HG1  VAL  13          HG1       VAL  13   2.738  -1.836  -6.642
   83   1HG2  VAL  13          HG2       VAL  13   2.476  -3.548  -4.237
   84   2HG2  VAL  13          HG2       VAL  13   4.218  -3.833  -3.932
   85   3HG2  VAL  13          HG2       VAL  13   3.633  -2.233  -4.427
   86    H    THR  14           H        THR  14   3.191  -5.648  -3.868
   87    HA   THR  14           HA       THR  14   0.957  -7.571  -4.279
   88    HB   THR  14           HB       THR  14   3.418  -7.850  -2.546
   89    HG1  THR  14           HG1      THR  14   2.171  -9.381  -4.604
   90   1HG2  THR  14          HG2       THR  14   1.557  -8.660  -1.179
   91   2HG2  THR  14          HG2       THR  14   0.849  -9.511  -2.577
   92   3HG2  THR  14          HG2       THR  14   2.397 -10.039  -1.885
   93    H    PHE  15           H        PHE  15  -0.329  -5.881  -4.035
   94    HA   PHE  15           HA       PHE  15  -0.988  -4.572  -1.518
   95   1HB   PHE  15          HB2       PHE  15  -2.533  -5.305  -4.022
   96   2HB   PHE  15          HB3       PHE  15  -3.327  -4.600  -2.625
   97    HD1  PHE  15           HD1      PHE  15  -0.141  -3.807  -4.552
   98    HD2  PHE  15           HD2      PHE  15  -4.028  -2.509  -3.198
   99    HE1  PHE  15           HE1      PHE  15   0.058  -1.755  -5.883
  100    HE2  PHE  15           HE2      PHE  15  -3.830  -0.524  -4.641
  101    HZ   PHE  15           HZ       PHE  15  -1.793  -0.147  -5.972
  102    H    ASP  16           H        ASP  16  -0.867  -6.156   0.223
  103    HA   ASP  16           HA       ASP  16  -2.397  -8.657  -0.060
  104   1HB   ASP  16          HB2       ASP  16  -1.025  -9.312   1.865
  105   2HB   ASP  16          HB3       ASP  16  -0.057  -8.838   0.468
  106    H    HIS  17           HN       HIS  17  -4.189  -7.098  -0.089
  107    HA   HIS  17           HA       HIS  17  -5.268  -5.479   1.730
  108   1HB   HIS  17          HB2       HIS  17  -6.195  -6.707  -0.440
  109   2HB   HIS  17          HB3       HIS  17  -7.024  -7.736   0.699
  110    HD1  HIS  17           HND      HIS  17  -9.461  -6.920   0.919
  111    HD2  HIS  17           HD       HIS  17  -6.649  -3.813   0.601
  112    HE1  HIS  17           HE       HIS  17 -10.759  -4.737   1.115
  113    H    LYS  18           H        LYS  18  -5.592  -8.986   1.985
  114    HA   LYS  18           HA       LYS  18  -6.882  -9.090   4.500
  115   1HB   LYS  18          HB2       LYS  18  -6.237 -10.960   2.549
  116   2HB   LYS  18          HB3       LYS  18  -5.123 -11.410   3.819
  117   1HG   LYS  18          HG2       LYS  18  -6.924 -12.624   4.544
  118   2HG   LYS  18          HG3       LYS  18  -7.314 -11.124   5.376
  119   1HD   LYS  18          HD2       LYS  18  -8.529 -10.470   3.115
  120   2HD   LYS  18          HD3       LYS  18  -8.313 -12.185   2.715
  121   1HE   LYS  18          HE2       LYS  18  -9.631 -12.758   4.804
  122   2HE   LYS  18          HE3       LYS  18  -9.916 -11.020   5.035
  123   1HZ   LYS  18          HZ1       LYS  18 -10.824 -11.090   2.667
  124   2HZ   LYS  18          HZ2       LYS  18 -10.730 -12.653   2.699
  125   3HZ   LYS  18          HZ3       LYS  18 -11.771 -11.924   3.771
  126    H    ALA  19           H        ALA  19  -3.410  -9.963   3.865
  127    HA   ALA  19           HA       ALA  19  -2.785 -10.282   6.560
  128   1HB   ALA  19          HB1       ALA  19  -1.002  -9.535   4.232
  129   2HB   ALA  19          HB2       ALA  19  -0.412 -10.115   5.801
  130   3HB   ALA  19          HB3       ALA  19  -1.407 -11.173   4.775
  131    H    HIS  20           HN       HIS  20  -2.326  -7.319   4.544
  132    HA   HIS  20           HA       HIS  20  -1.332  -5.708   6.700
  133   1HB   HIS  20          HB2       HIS  20  -2.657  -5.065   4.077
  134   2HB   HIS  20          HB3       HIS  20  -2.506  -3.823   5.324
  135    HD1  HIS  20           HND      HIS  20   0.124  -6.416   4.160
  136    HD2  HIS  20           HD       HIS  20  -0.538  -2.281   4.589
  137    HE1  HIS  20           HE       HIS  20   2.262  -5.328   3.595
  138    H    ALA  21           H        ALA  21  -4.793  -6.347   5.695
  139    HA   ALA  21           HA       ALA  21  -5.879  -4.677   7.719
  140   1HB   ALA  21          HB1       ALA  21  -7.933  -5.913   7.427
  141   2HB   ALA  21          HB2       ALA  21  -7.204  -5.605   5.840
  142   3HB   ALA  21          HB3       ALA  21  -7.101  -7.217   6.567
  143    H    GLU  22           H        GLU  22  -5.059  -8.145   7.855
  144    HA   GLU  22           HA       GLU  22  -6.045  -8.687  10.430
  145   1HB   GLU  22          HB2       GLU  22  -3.811  -9.938   8.804
  146   2HB   GLU  22          HB3       GLU  22  -4.427 -10.630  10.315
  147   1HG   GLU  22          HG2       GLU  22  -6.629 -10.816   9.292
  148   2HG   GLU  22          HG3       GLU  22  -6.074 -10.050   7.800
  149    H    LYS  23           H        LYS  23  -2.727  -7.500   9.525
  150    HA   LYS  23           HA       LYS  23  -1.973  -7.241  12.295
  151   1HB   LYS  23          HB2       LYS  23  -0.593  -7.451  10.021
  152   2HB   LYS  23          HB3       LYS  23  -0.609  -5.701  10.070
  153   1HG   LYS  23          HG2       LYS  23   0.322  -5.738  12.346
  154   2HG   LYS  23          HG3       LYS  23   0.201  -7.513  12.359
  155   1HD   LYS  23          HD2       LYS  23   1.852  -7.724  10.589
  156   2HD   LYS  23          HD3       LYS  23   1.981  -5.963  10.422
  157   1HE   LYS  23          HE2       LYS  23   2.928  -5.722  12.638
  158   2HE   LYS  23          HE3       LYS  23   2.530  -7.392  13.067
  159   1HZ   LYS  23          HZ1       LYS  23   4.162  -8.132  11.420
  160   2HZ   LYS  23          HZ2       LYS  23   4.563  -6.601  11.047
  161   3HZ   LYS  23          HZ3       LYS  23   4.876  -7.148  12.520
  162    H    LEU  24           H        LEU  24  -3.305  -5.034   9.887
  163    HA   LEU  24           HA       LEU  24  -3.038  -2.664  11.674
  164   1HB   LEU  24          HB2       LEU  24  -3.542  -2.704   8.719
  165   2HB   LEU  24          HB3       LEU  24  -3.160  -1.364   9.805
  166    HG   LEU  24           HG       LEU  24  -1.194  -3.617   9.430
  167   1HD1  LEU  24          HD1       LEU  24  -0.119  -2.197   7.742
  168   2HD1  LEU  24          HD1       LEU  24  -1.712  -2.754   7.224
  169   3HD1  LEU  24          HD1       LEU  24  -1.514  -1.086   7.787
  170   1HD2  LEU  24          HD2       LEU  24  -0.826  -2.122  11.372
  171   2HD2  LEU  24          HD2       LEU  24   0.385  -1.817  10.121
  172   3HD2  LEU  24          HD2       LEU  24  -0.972  -0.698  10.318
  173    H    GLY  25           H        GLY  25  -5.474  -2.966   9.092
  174   1HA   GLY  25          HA2       GLY  25  -7.701  -3.844  10.308
  175   2HA   GLY  25          HA3       GLY  25  -7.592  -2.148  10.829
  176    H    CYS  26           HN       CYS  26  -9.341  -1.606   9.536
  177    HA   CYS  26           HA       CYS  26  -8.942  -1.558   6.531
  178   1HB   CYS  26          HB2       CYS  26 -11.521  -0.889   7.943
  179   2HB   CYS  26          HB3       CYS  26 -11.200  -1.173   6.223
  180    H    ASP  27           H        ASP  27 -10.056   0.236   9.253
  181    HA   ASP  27           HA       ASP  27  -9.896   2.944   8.963
  182   1HB   ASP  27          HB2       ASP  27  -8.817   2.594  11.319
  183   2HB   ASP  27          HB3       ASP  27 -10.420   1.898  11.025
  184    H    ALA  28           H        ALA  28  -7.100   0.885   9.791
  185    HA   ALA  28           HA       ALA  28  -4.956   2.381   9.512
  186   1HB   ALA  28          HB1       ALA  28  -5.456  -0.434   8.493
  187   2HB   ALA  28          HB2       ALA  28  -3.834   0.277   8.687
  188   3HB   ALA  28          HB3       ALA  28  -4.876   0.009  10.109
  189    H    CYS  29           HN       CYS  29  -6.859   1.442   6.651
  190    HA   CYS  29           HA       CYS  29  -4.920   2.867   4.842
  191   1HB   CYS  29          HB2       CYS  29  -6.540   0.341   4.487
  192   2HB   CYS  29          HB3       CYS  29  -5.822   1.261   3.154
  193    H    HIS  30           HN       HIS  30  -8.022   2.988   6.203
  194    HA   HIS  30           HA       HIS  30  -9.205   4.391   3.849
  195   1HB   HIS  30          HB2       HIS  30 -10.276   1.953   5.332
  196   2HB   HIS  30          HB3       HIS  30 -11.233   2.955   4.285
  197    HD1  HIS  30           HND      HIS  30 -10.210   3.019   1.621
  198    HD2  HIS  30           HD       HIS  30  -9.416  -0.183   4.179
  199    HE1  HIS  30           HE       HIS  30  -9.959   0.908   0.127
  200    H    GLU  31           H        GLU  31  -9.726   6.301   4.578
  201    HA   GLU  31           HA       GLU  31 -10.011   6.826   7.375
  202   1HB   GLU  31          HB2       GLU  31 -10.169   9.161   6.626
  203   2HB   GLU  31          HB3       GLU  31  -8.747   8.307   6.019
  204   1HG   GLU  31          HG2       GLU  31 -11.226   8.536   4.264
  205   2HG   GLU  31          HG3       GLU  31 -10.111   9.893   4.429
  206    H    GLY  32           H        GLY  32 -11.976   5.219   7.145
  207   1HA   GLY  32          HA2       GLY  32 -14.235   5.006   7.767
  208   2HA   GLY  32          HA3       GLY  32 -14.502   6.737   7.513
  209    H    THR  33           H        THR  33 -16.131   4.464   6.570
  210    HA   THR  33           HA       THR  33 -17.161   3.601   4.733
  211    HB   THR  33           HB       THR  33 -16.639   6.369   3.630
  212    HG1  THR  33           HG1      THR  33 -19.032   6.052   4.589
  213   1HG2  THR  33          HG2       THR  33 -18.807   4.281   3.032
  214   2HG2  THR  33          HG2       THR  33 -18.799   5.958   2.446
  215   3HG2  THR  33          HG2       THR  33 -17.567   4.828   1.887
  216    HA   PRO  34           HA       PRO  34 -13.138   2.613   2.658
  217   1HB   PRO  34          HB2       PRO  34 -13.397  -0.078   2.496
  218   2HB   PRO  34          HB3       PRO  34 -12.885   0.735   4.001
  219   1HG   PRO  34          HG2       PRO  34 -15.710  -0.122   3.248
  220   2HG   PRO  34          HG3       PRO  34 -14.833  -0.505   4.763
  221   1HD   PRO  34          HD2       PRO  34 -16.544   1.531   4.655
  222   2HD   PRO  34          HD3       PRO  34 -14.972   1.768   5.481
  223    H    ALA  35           H        ALA  35 -12.739   2.352   0.499
  224    HA   ALA  35           HA       ALA  35 -14.735   1.396  -1.405
  225   1HB   ALA  35          HB1       ALA  35 -15.002   3.623  -2.481
  226   2HB   ALA  35          HB2       ALA  35 -15.582   3.670  -0.809
  227   3HB   ALA  35          HB3       ALA  35 -13.999   4.358  -1.212
  228    H    LYS  36           H        LYS  36 -13.806   2.197  -3.732
  229    HA   LYS  36           HA       LYS  36 -11.121   1.124  -3.828
  230   1HB   LYS  36          HB2       LYS  36 -11.210   1.188  -6.101
  231   2HB   LYS  36          HB3       LYS  36 -12.786   0.633  -5.526
  232   1HG   LYS  36          HG2       LYS  36 -13.346   3.305  -5.836
  233   2HG   LYS  36          HG3       LYS  36 -12.003   3.153  -6.969
  234   1HD   LYS  36          HD2       LYS  36 -13.813   2.773  -8.344
  235   2HD   LYS  36          HD3       LYS  36 -13.297   1.122  -7.953
  236   1HE   LYS  36          HE2       LYS  36 -15.058   1.053  -6.141
  237   2HE   LYS  36          HE3       LYS  36 -15.526   2.711  -6.550
  238   1HZ   LYS  36          HZ1       LYS  36 -16.135   1.931  -8.748
  239   2HZ   LYS  36          HZ2       LYS  36 -15.735   0.386  -8.351
  240   3HZ   LYS  36          HZ3       LYS  36 -16.986   1.134  -7.589
  241    H    ILE  37           H        ILE  37  -9.737   2.410  -2.747
  242    HA   ILE  37           HA       ILE  37  -9.336   5.254  -3.393
  243    HB   ILE  37           HB       ILE  37  -7.516   3.245  -2.009
  244   1HG1  ILE  37          HG1       ILE  37  -9.307   5.466  -0.904
  245   2HG1  ILE  37          HG1       ILE  37  -9.645   3.734  -0.797
  246   1HG2  ILE  37          HG2       ILE  37  -6.180   5.196  -1.335
  247   2HG2  ILE  37          HG2       ILE  37  -6.285   5.173  -3.084
  248   3HG2  ILE  37          HG2       ILE  37  -7.305   6.292  -2.165
  249   1HD1  ILE  37          HD1       ILE  37  -7.589   3.409   0.558
  250   2HD1  ILE  37          HD1       ILE  37  -7.319   5.170   0.545
  251   3HD1  ILE  37          HD1       ILE  37  -8.758   4.517   1.310
  252    H    ALA  38           H        ALA  38  -8.376   5.965  -5.280
  253    HA   ALA  38           HA       ALA  38  -7.234   4.070  -7.173
  254   1HB   ALA  38          HB1       ALA  38  -6.698   6.035  -8.495
  255   2HB   ALA  38          HB2       ALA  38  -8.391   6.082  -7.949
  256   3HB   ALA  38          HB3       ALA  38  -7.167   7.108  -7.155
  257    H    ILE  39           H        ILE  39  -5.321   3.162  -6.938
  258    HA   ILE  39           HA       ILE  39  -3.163   4.586  -5.473
  259    HB   ILE  39           HB       ILE  39  -3.562   1.644  -5.979
  260   1HG1  ILE  39          HG1       ILE  39  -5.220   2.553  -4.382
  261   2HG1  ILE  39          HG1       ILE  39  -4.014   1.535  -3.675
  262   1HG2  ILE  39          HG2       ILE  39  -1.475   3.300  -4.530
  263   2HG2  ILE  39          HG2       ILE  39  -1.684   1.568  -4.210
  264   3HG2  ILE  39          HG2       ILE  39  -1.205   2.119  -5.825
  265   1HD1  ILE  39          HD1       ILE  39  -4.502   3.425  -2.198
  266   2HD1  ILE  39          HD1       ILE  39  -2.813   3.460  -2.705
  267   3HD1  ILE  39          HD1       ILE  39  -3.993   4.567  -3.443
  268    H    ASP  40           H        ASP  40  -2.472   5.785  -6.982
  269    HA   ASP  40           HA       ASP  40  -1.061   4.774  -9.347
  270   1HB   ASP  40          HB2       ASP  40  -1.222   7.603  -8.378
  271   2HB   ASP  40          HB3       ASP  40  -1.232   7.044 -10.069
  272    H    LYS  41           H        LYS  41   1.208   5.307  -9.703
  273    HA   LYS  41           HA       LYS  41   3.120   5.841  -7.847
  274   1HB   LYS  41          HB2       LYS  41   4.490   6.890  -9.517
  275   2HB   LYS  41          HB3       LYS  41   3.609   5.547 -10.225
  276   1HG   LYS  41          HG2       LYS  41   2.414   6.852 -11.637
  277   2HG   LYS  41          HG3       LYS  41   2.274   8.221 -10.545
  278   1HD   LYS  41          HD2       LYS  41   4.899   7.463 -11.892
  279   2HD   LYS  41          HD3       LYS  41   3.719   8.563 -12.620
  280   1HE   LYS  41          HE2       LYS  41   3.865  10.094 -10.684
  281   2HE   LYS  41          HE3       LYS  41   5.025   9.033  -9.884
  282   1HZ   LYS  41          HZ1       LYS  41   6.545   9.404 -11.716
  283   2HZ   LYS  41          HZ2       LYS  41   5.468  10.393 -12.465
  284   3HZ   LYS  41          HZ3       LYS  41   6.121  10.833 -11.024
  285    H    LYS  42           H        LYS  42   0.668   8.190  -8.518
  286    HA   LYS  42           HA       LYS  42   2.128  10.388  -7.136
  287   1HB   LYS  42          HB2       LYS  42   0.178  11.768  -7.706
  288   2HB   LYS  42          HB3       LYS  42   0.903  11.050  -9.149
  289   1HG   LYS  42          HG2       LYS  42  -0.853   9.506  -9.422
  290   2HG   LYS  42          HG3       LYS  42  -1.411   9.688  -7.739
  291   1HD   LYS  42          HD2       LYS  42  -2.274  11.914  -8.216
  292   2HD   LYS  42          HD3       LYS  42  -1.746  11.770  -9.916
  293   1HE   LYS  42          HE2       LYS  42  -3.130   9.723 -10.185
  294   2HE   LYS  42          HE3       LYS  42  -3.611   9.787  -8.480
  295   1HZ   LYS  42          HZ1       LYS  42  -5.296  10.612  -9.894
  296   2HZ   LYS  42          HZ2       LYS  42  -4.754  11.837  -8.939
  297   3HZ   LYS  42          HZ3       LYS  42  -4.318  11.772 -10.531
  298    H    SER  43           H        SER  43   0.405   7.720  -6.148
  299    HA   SER  43           HA       SER  43  -0.863   9.124  -3.825
  300   1HB   SER  43          HB2       SER  43  -1.831   6.637  -5.258
  301   2HB   SER  43          HB3       SER  43  -2.675   7.527  -3.985
  302    HG   SER  43           HG       SER  43  -3.123   7.951  -6.421
  303    H    ALA  44           H        ALA  44   0.249   5.862  -4.872
  304    HA   ALA  44           HA       ALA  44   0.572   4.664  -2.323
  305   1HB   ALA  44          HB1       ALA  44   2.064   4.241  -4.955
  306   2HB   ALA  44          HB2       ALA  44   2.225   3.202  -3.525
  307   3HB   ALA  44          HB3       ALA  44   0.668   3.343  -4.349
  308    H    HIS  45           HN       HIS  45   2.977   6.166  -4.405
  309    HA   HIS  45           HA       HIS  45   5.223   6.151  -2.692
  310   1HB   HIS  45          HB2       HIS  45   4.483   8.078  -4.923
  311   2HB   HIS  45          HB3       HIS  45   6.102   7.816  -4.294
  312    HD1  HIS  45           HND      HIS  45   5.433   7.509  -7.269
  313    HD2  HIS  45           HD       HIS  45   5.454   4.378  -4.475
  314    HE1  HIS  45           HE       HIS  45   6.173   5.418  -8.535
  315    H    LYS  46           H        LYS  46   2.694   8.565  -3.275
  316    HA   LYS  46           HA       LYS  46   3.948  10.853  -2.127
  317   1HB   LYS  46          HB2       LYS  46   1.966  10.738  -3.643
  318   2HB   LYS  46          HB3       LYS  46   0.980  10.166  -2.322
  319   1HG   LYS  46          HG2       LYS  46   0.509  12.269  -1.851
  320   2HG   LYS  46          HG3       LYS  46   2.134  12.469  -1.215
  321   1HD   LYS  46          HD2       LYS  46   1.234  12.966  -4.104
  322   2HD   LYS  46          HD3       LYS  46   1.466  14.215  -2.869
  323   1HE   LYS  46          HE2       LYS  46   3.884  13.532  -2.666
  324   2HE   LYS  46          HE3       LYS  46   3.647  12.382  -3.992
  325   1HZ   LYS  46          HZ1       LYS  46   3.051  14.229  -5.411
  326   2HZ   LYS  46          HZ2       LYS  46   3.275  15.301  -4.184
  327   3HZ   LYS  46          HZ3       LYS  46   4.553  14.457  -4.779
  328    H    ASP  47           H        ASP  47   1.434   8.713  -0.882
  329    HA   ASP  47           HA       ASP  47   2.551   8.850   1.822
  330   1HB   ASP  47          HB2       ASP  47   0.944  10.928   1.219
  331   2HB   ASP  47          HB3       ASP  47  -0.323   9.768   1.651
  332    H    ALA  48           H        ALA  48  -0.226   7.781  -0.110
  333    HA   ALA  48           HA       ALA  48  -1.602   6.314   1.675
  334   1HB   ALA  48          HB1       ALA  48  -2.583   5.126  -0.235
  335   2HB   ALA  48          HB2       ALA  48  -2.335   6.846  -0.598
  336   3HB   ALA  48          HB3       ALA  48  -1.225   5.633  -1.263
  337    H    CYS  49           HN       CYS  49   1.184   4.950  -0.132
  338    HA   CYS  49           HA       CYS  49   1.046   2.551   1.673
  339   1HB   CYS  49          HB2       CYS  49   2.681   2.939  -0.816
  340   2HB   CYS  49          HB3       CYS  49   2.606   1.477   0.167
  341    H    LYS  50           H        LYS  50   3.309   4.842   0.235
  342    HA   LYS  50           HA       LYS  50   5.500   3.971   1.695
  343   1HB   LYS  50          HB2       LYS  50   4.871   6.356   0.076
  344   2HB   LYS  50          HB3       LYS  50   6.187   6.603   1.208
  345   1HG   LYS  50          HG2       LYS  50   6.182   4.221  -0.680
  346   2HG   LYS  50          HG3       LYS  50   6.746   5.824  -1.146
  347   1HD   LYS  50          HD2       LYS  50   8.669   4.660  -0.574
  348   2HD   LYS  50          HD3       LYS  50   8.404   5.869   0.678
  349   1HE   LYS  50          HE2       LYS  50   7.654   4.173   2.259
  350   2HE   LYS  50          HE3       LYS  50   7.580   2.943   0.977
  351   1HZ   LYS  50          HZ1       LYS  50  10.004   4.181   2.105
  352   2HZ   LYS  50          HZ2       LYS  50   9.575   2.590   2.173
  353   3HZ   LYS  50          HZ3       LYS  50  10.006   3.242   0.754
  354    H    THR  51           H        THR  51   3.341   6.754   2.711
  355    HA   THR  51           HA       THR  51   5.286   7.507   4.699
  356    HB   THR  51           HB       THR  51   2.438   8.349   4.347
  357    HG1  THR  51           HG1      THR  51   3.483  10.109   3.496
  358   1HG2  THR  51          HG2       THR  51   4.577   9.418   6.256
  359   2HG2  THR  51          HG2       THR  51   3.080  10.270   5.823
  360   3HG2  THR  51          HG2       THR  51   2.991   8.748   6.712
  361    H    CYS  52           HN       CYS  52   2.611   5.215   4.883
  362    HA   CYS  52           HA       CYS  52   2.767   4.833   7.752
  363   1HB   CYS  52          HB2       CYS  52   0.970   3.942   6.379
  364   2HB   CYS  52          HB3       CYS  52   2.110   2.842   5.575
  365    H    HIS  53           HN       HIS  53   4.320   3.046   5.051
  366    HA   HIS  53           HA       HIS  53   6.196   1.543   6.498
  367   1HB   HIS  53          HB2       HIS  53   6.239   2.820   3.750
  368   2HB   HIS  53          HB3       HIS  53   7.556   1.827   4.326
  369    HD1  HIS  53           HND      HIS  53   6.772   0.389   2.091
  370    HD2  HIS  53           HD       HIS  53   4.149   0.444   5.358
  371    HE1  HIS  53           HE       HIS  53   5.043  -1.450   1.683
  372    H    LYS  54           H        LYS  54   6.523   4.962   5.453
  373    HA   LYS  54           HA       LYS  54   9.196   5.536   6.304
  374   1HB   LYS  54          HB2       LYS  54   6.884   7.413   6.261
  375   2HB   LYS  54          HB3       LYS  54   8.611   7.729   6.462
  376   1HG   LYS  54          HG2       LYS  54   8.969   6.451   4.271
  377   2HG   LYS  54          HG3       LYS  54   7.263   6.721   3.984
  378   1HD   LYS  54          HD2       LYS  54   8.096   9.217   4.918
  379   2HD   LYS  54          HD3       LYS  54   9.542   8.571   4.169
  380   1HE   LYS  54          HE2       LYS  54   8.613   9.721   2.349
  381   2HE   LYS  54          HE3       LYS  54   7.865   8.149   2.083
  382   1HZ   LYS  54          HZ1       LYS  54   6.250   9.951   1.936
  383   2HZ   LYS  54          HZ2       LYS  54   5.826   9.106   3.250
  384   3HZ   LYS  54          HZ3       LYS  54   6.634  10.499   3.423
  385    H    SER  55           H        SER  55   6.019   5.987   7.926
  386    HA   SER  55           HA       SER  55   6.887   7.022  10.397
  387   1HB   SER  55          HB2       SER  55   4.549   7.015   9.565
  388   2HB   SER  55          HB3       SER  55   4.451   5.268   9.856
  389    HG   SER  55           HG       SER  55   3.661   6.477  11.650
  390    H    ASN  56           H        ASN  56   6.228   3.609   9.478
  391    HA   ASN  56           HA       ASN  56   8.576   2.709  10.348
  392   1HB   ASN  56          HB2       ASN  56   6.962   3.010  12.734
  393   2HB   ASN  56          HB3       ASN  56   7.027   1.295  12.400
  394   1HD2  ASN  56          HD2       ASN  56   9.090   4.187  12.522
  395   2HD2  ASN  56          HD2       ASN  56  10.557   3.332  13.002
  396    H    ASN  57           H        ASN  57   8.739   0.339  10.569
  397    HA   ASN  57           HA       ASN  57   8.472  -1.757   9.680
  398   1HB   ASN  57          HB2       ASN  57   5.575  -1.150  10.373
  399   2HB   ASN  57          HB3       ASN  57   6.279  -2.757  10.141
  400   1HD2  ASN  57          HD2       ASN  57   5.348  -0.688  12.550
  401   2HD2  ASN  57          HD2       ASN  57   6.487  -1.241  13.774
  402    H    GLY  58           H        GLY  58   9.107  -0.669   7.558
  403   1HA   GLY  58          HA2       GLY  58   7.894  -2.263   5.613
  404   2HA   GLY  58          HA3       GLY  58   7.256  -0.628   5.380
  405    HA   PRO  59           HA       PRO  59  11.703  -1.424   3.855
  406   1HB   PRO  59          HB2       PRO  59  11.489  -1.922   1.185
  407   2HB   PRO  59          HB3       PRO  59  11.267  -3.174   2.435
  408   1HG   PRO  59          HG2       PRO  59   9.075  -1.564   1.081
  409   2HG   PRO  59          HG3       PRO  59   9.177  -3.344   1.254
  410   1HD   PRO  59          HD2       PRO  59   7.735  -1.904   3.022
  411   2HD   PRO  59          HD3       PRO  59   8.782  -3.227   3.597
  412    H    THR  60           H        THR  60  13.137  -0.096   2.734
  413    HA   THR  60           HA       THR  60  12.129   2.614   2.005
  414    HB   THR  60           HB       THR  60  14.246   3.400   2.922
  415    HG1  THR  60           HG1      THR  60  15.545   1.671   2.414
  416   1HG2  THR  60          HG2       THR  60  12.363   3.048   4.528
  417   2HG2  THR  60          HG2       THR  60  12.986   1.418   4.871
  418   3HG2  THR  60          HG2       THR  60  13.965   2.836   5.263
  419    H    LYS  61           H        LYS  61  12.227   0.672  -0.103
  420    HA   LYS  61           HA       LYS  61  13.995   2.101  -1.919
  421   1HB   LYS  61          HB2       LYS  61  15.324   0.152  -0.669
  422   2HB   LYS  61          HB3       LYS  61  14.441  -0.898  -1.779
  423   1HG   LYS  61          HG2       LYS  61  15.388   0.509  -3.689
  424   2HG   LYS  61          HG3       LYS  61  16.302   1.420  -2.459
  425   1HD   LYS  61          HD2       LYS  61  17.224  -0.854  -1.675
  426   2HD   LYS  61          HD3       LYS  61  16.559  -1.555  -3.146
  427   1HE   LYS  61          HE2       LYS  61  18.649   0.682  -2.932
  428   2HE   LYS  61          HE3       LYS  61  18.975  -1.005  -3.339
  429   1HZ   LYS  61          HZ1       LYS  61  17.649  -0.720  -5.336
  430   2HZ   LYS  61          HZ2       LYS  61  17.376   0.863  -4.970
  431   3HZ   LYS  61          HZ3       LYS  61  18.898   0.347  -5.304
  432    H    CYS  62           HN       CYS  62  13.350   1.805  -4.109
  433    HA   CYS  62           HA       CYS  62  10.753   1.221  -4.778
  434   1HB   CYS  62          HB2       CYS  62  13.038   0.586  -6.645
  435   2HB   CYS  62          HB3       CYS  62  11.434   1.190  -7.047
  436    H    GLY  63           H        GLY  63  13.448  -1.050  -5.209
  437   1HA   GLY  63          HA2       GLY  63  12.067  -3.330  -6.020
  438   2HA   GLY  63          HA3       GLY  63  13.617  -3.323  -5.182
  439    H    GLY  64           H        GLY  64  12.037  -1.915  -2.819
  440   1HA   GLY  64          HA2       GLY  64  11.481  -4.265  -1.236
  441   2HA   GLY  64          HA3       GLY  64  11.098  -2.572  -0.874
  442    H    CYS  65           HN       CYS  65   9.606  -2.248  -3.448
  443    HA   CYS  65           HA       CYS  65   7.086  -3.758  -2.761
  444   1HB   CYS  65          HB2       CYS  65   7.488  -1.065  -4.054
  445   2HB   CYS  65          HB3       CYS  65   5.938  -1.900  -3.856
  446    H    HIS  66           HN       HIS  66   9.120  -2.513  -5.419
  447    HA   HIS  66           HA       HIS  66   7.410  -3.773  -7.438
  448   1HB   HIS  66          HB2       HIS  66   9.816  -1.919  -7.475
  449   2HB   HIS  66          HB3       HIS  66   9.068  -2.529  -8.919
  450    HD1  HIS  66           HND      HIS  66   6.605  -1.835  -9.458
  451    HD2  HIS  66           HD       HIS  66   8.603   0.237  -6.433
  452    HE1  HIS  66           HE       HIS  66   5.327   0.368  -9.129
  453    H    ILE  67           H        ILE  67   7.719  -5.671  -8.380
  454    HA   ILE  67           HA       ILE  67  10.454  -6.889  -8.381
  455    HB   ILE  67           HB       ILE  67   8.049  -8.595  -8.430
  456   1HG1  ILE  67          HG1       ILE  67   8.919  -7.019  -5.999
  457   2HG1  ILE  67          HG1       ILE  67   7.328  -7.121  -6.787
  458   1HG2  ILE  67          HG2       ILE  67  10.415  -9.434  -8.591
  459   2HG2  ILE  67          HG2       ILE  67  10.703  -8.821  -6.948
  460   3HG2  ILE  67          HG2       ILE  67   9.523 -10.121  -7.234
  461   1HD1  ILE  67          HD1       ILE  67   7.268  -8.428  -4.748
  462   2HD1  ILE  67          HD1       ILE  67   7.212  -9.540  -6.136
  463   3HD1  ILE  67          HD1       ILE  67   8.729  -9.318  -5.220
  464    H    LYS  68           H        LYS  68  11.226  -7.508 -10.285
  465    HA   LYS  68           HA       LYS  68  11.409  -8.431 -12.232
  466   1HB   LYS  68          HB2       LYS  68   9.161  -9.582 -11.647
  467   2HB   LYS  68          HB3       LYS  68   8.457  -8.485 -12.849
  468   1HG   LYS  68          HG2       LYS  68   9.968  -9.326 -14.559
  469   2HG   LYS  68          HG3       LYS  68  10.839 -10.319 -13.384
  470   1HD   LYS  68          HD2       LYS  68   7.848 -10.616 -13.895
  471   2HD   LYS  68          HD3       LYS  68   9.042 -11.466 -14.893
  472   1HE   LYS  68          HE2       LYS  68   9.936 -12.672 -12.990
  473   2HE   LYS  68          HE3       LYS  68   8.980 -11.734 -11.841
  474   1HZ   LYS  68          HZ1       LYS  68   7.841 -13.537 -13.865
  475   2HZ   LYS  68          HZ2       LYS  68   7.981 -13.859 -12.257
  476   3HZ   LYS  68          HZ3       LYS  68   6.989 -12.652 -12.770
  477    HHA  HEC 130           HCM      HEC  30 -10.356  -1.618  -2.900
  478    HHB  HEC 130           HDM      HEC  30 -13.418  -2.504   2.477
  479    HHC  HEC 130           HAM      HEC  30  -7.836  -3.634   5.084
  480    HHD  HEC 130           HBM      HEC  30  -5.470  -0.080   0.549
  481   1HMA  HEC 130          HM8       HEC  30 -14.950  -1.326   0.779
  482   2HMA  HEC 130          HM8       HEC  30 -15.154  -2.034  -0.830
  483   3HMA  HEC 130          HM8       HEC  30 -14.881  -3.095   0.556
  484   1HAA  HEC 130          HP7       HEC  30 -12.426  -1.833  -3.447
  485   2HAA  HEC 130          HP7       HEC  30 -14.009  -1.650  -2.730
  486   1HBA  HEC 130          HP7       HEC  30 -13.751  -3.783  -3.948
  487   2HBA  HEC 130          HP7       HEC  30 -14.135  -4.033  -2.246
  488   1HMB  HEC 130          HM1       HEC  30 -13.614  -2.708   5.194
  489   2HMB  HEC 130          HM1       HEC  30 -13.711  -4.113   4.101
  490   3HMB  HEC 130          HM1       HEC  30 -13.058  -4.298   5.719
  491    HAB  HEC 130           HT2      HEC  30  -9.283  -3.861   6.669
  492   1HBB  HEC 130          HT2       HEC  30 -11.531  -5.860   6.186
  493   2HBB  HEC 130          HT2       HEC  30  -9.823  -6.121   5.804
  494   3HBB  HEC 130          HT2       HEC  30 -10.339  -5.896   7.491
  495   1HMC  HEC 130          HM3       HEC  30  -5.694  -3.308   5.630
  496   2HMC  HEC 130          HM3       HEC  30  -4.754  -4.060   4.291
  497   3HMC  HEC 130          HM3       HEC  30  -4.272  -2.504   5.003
  498    HAC  HEC 130           HT4      HEC  30  -4.133   0.073   2.104
  499   1HBC  HEC 130          HT4       HEC  30  -2.878  -2.469   3.143
  500   2HBC  HEC 130          HT4       HEC  30  -2.971  -1.871   1.466
  501   3HBC  HEC 130          HT4       HEC  30  -2.026  -0.981   2.677
  502   1HMD  HEC 130          HM5       HEC  30  -5.441  -0.051  -3.114
  503   2HMD  HEC 130          HM5       HEC  30  -5.405   1.181  -1.826
  504   3HMD  HEC 130          HM5       HEC  30  -4.726  -0.446  -1.541
  505   1HAD  HEC 130          HP6       HEC  30  -7.374   0.351  -4.191
  506   2HAD  HEC 130          HP6       HEC  30  -9.062   0.159  -3.981
  507   1HBD  HEC 130          HP6       HEC  30  -8.735  -2.372  -4.319
  508   2HBD  HEC 130          HP6       HEC  30  -7.053  -1.996  -4.693
  509    HHA  HEC 153           HCM      HEC  53   5.407  -5.300   5.210
  510    HHB  HEC 153           HDM      HEC  53   3.377  -3.636  -0.431
  511    HHC  HEC 153           HAM      HEC  53  -0.072   0.862   2.161
  512    HHD  HEC 153           HBM      HEC  53   2.003  -0.778   7.779
  513   1HMA  HEC 153          HM8       HEC  53   5.780  -6.468   0.170
  514   2HMA  HEC 153          HM8       HEC  53   4.198  -5.974  -0.436
  515   3HMA  HEC 153          HM8       HEC  53   5.620  -4.912  -0.656
  516   1HAA  HEC 153          HP7       HEC  53   6.786  -6.273   3.786
  517   2HAA  HEC 153          HP7       HEC  53   7.010  -6.449   2.065
  518   1HBA  HEC 153          HP7       HEC  53   4.928  -7.883   1.991
  519   2HBA  HEC 153          HP7       HEC  53   4.873  -7.789   3.752
  520   1HMB  HEC 153          HM1       HEC  53   1.284  -2.485  -2.200
  521   2HMB  HEC 153          HM1       HEC  53   1.875  -0.808  -2.340
  522   3HMB  HEC 153          HM1       HEC  53   3.014  -2.099  -1.998
  523    HAB  HEC 153           HT2      HEC  53  -0.779   0.695   0.225
  524   1HBB  HEC 153          HT2       HEC  53  -1.292  -1.359  -1.139
  525   2HBB  HEC 153          HT2       HEC  53  -1.753   0.213  -1.817
  526   3HBB  HEC 153          HT2       HEC  53  -0.344  -0.624  -2.443
  527   1HMC  HEC 153          HM3       HEC  53  -1.366   1.865   3.464
  528   2HMC  HEC 153          HM3       HEC  53  -1.819   1.815   5.127
  529   3HMC  HEC 153          HM3       HEC  53  -0.562   2.955   4.590
  530    HAC  HEC 153           HT4      HEC  53   0.209   0.426   8.107
  531   1HBC  HEC 153          HT4       HEC  53  -0.997   2.932   6.919
  532   2HBC  HEC 153          HT4       HEC  53  -1.854   1.419   7.313
  533   3HBC  HEC 153          HT4       HEC  53  -1.071   2.362   8.577
  534   1HMD  HEC 153          HM5       HEC  53   2.302  -2.975   9.434
  535   2HMD  HEC 153          HM5       HEC  53   4.030  -3.230   9.735
  536   3HMD  HEC 153          HM5       HEC  53   3.445  -1.607   9.374
  537   1HAD  HEC 153          HP6       HEC  53   4.522  -6.061   7.263
  538   2HAD  HEC 153          HP6       HEC  53   4.203  -5.239   8.768
  539   1HBD  HEC 153          HP6       HEC  53   6.534  -4.090   8.375
  540   2HBD  HEC 153          HP6       HEC  53   6.788  -5.373   7.199
  541    HHA  HEC 166           HCM      HEC  66   3.004   2.818  -9.927
  542    HHB  HEC 166           HDM      HEC  66   9.125   3.563 -10.367
  543    HHC  HEC 166           HAM      HEC  66   9.452   3.156  -4.142
  544    HHD  HEC 166           HBM      HEC  66   3.819   0.537  -4.211
  545   1HMA  HEC 166          HM8       HEC  66   7.511   4.922 -12.474
  546   2HMA  HEC 166          HM8       HEC  66   8.339   3.346 -12.484
  547   3HMA  HEC 166          HM8       HEC  66   6.803   3.534 -13.317
  548   1HAA  HEC 166          HP7       HEC  66   4.614   4.129 -12.949
  549   2HAA  HEC 166          HP7       HEC  66   3.285   3.699 -11.910
  550   1HBA  HEC 166          HP7       HEC  66   3.196   1.593 -12.638
  551   2HBA  HEC 166          HP7       HEC  66   4.919   1.352 -12.395
  552   1HMB  HEC 166          HM1       HEC  66  11.009   4.961  -9.536
  553   2HMB  HEC 166          HM1       HEC  66  12.254   4.288  -8.482
  554   3HMB  HEC 166          HM1       HEC  66  11.477   3.248  -9.670
  555    HAB  HEC 166           HT2      HEC  66  11.354   3.699  -4.726
  556   1HBB  HEC 166          HT2       HEC  66  11.130   6.044  -5.407
  557   2HBB  HEC 166          HT2       HEC  66  12.819   5.567  -5.135
  558   3HBB  HEC 166          HT2       HEC  66  12.204   5.753  -6.783
  559   1HMC  HEC 166          HM3       HEC  66   8.117   1.280  -1.238
  560   2HMC  HEC 166          HM3       HEC  66   9.318   1.094  -2.504
  561   3HMC  HEC 166          HM3       HEC  66   8.884   2.722  -1.925
  562    HAC  HEC 166           HT4      HEC  66   4.720  -0.175  -2.469
  563   1HBC  HEC 166          HT4       HEC  66   4.674   1.929  -1.118
  564   2HBC  HEC 166          HT4       HEC  66   4.692   0.408  -0.201
  565   3HBC  HEC 166          HT4       HEC  66   6.154   1.393  -0.317
  566   1HMD  HEC 166          HM5       HEC  66   1.729  -0.433  -5.225
  567   2HMD  HEC 166          HM5       HEC  66   1.497   1.135  -4.443
  568   3HMD  HEC 166          HM5       HEC  66   0.492   0.701  -5.812
  569   1HAD  HEC 166          HP6       HEC  66   0.266   2.264  -8.106
  570   2HAD  HEC 166          HP6       HEC  66   0.528   0.551  -7.976
  571   1HBD  HEC 166          HP6       HEC  66   0.109   0.594 -10.094
  572   2HBD  HEC 166          HP6       HEC  66   1.830   0.665 -10.171
  Start of MODEL    3
    1   1H    ALA   1          H1        ALA   1 -11.319  -5.472  -1.722
    2   2H    ALA   1          H2        ALA   1 -12.822  -5.870  -1.732
    3   3H    ALA   1          H3        ALA   1 -11.911  -6.261  -0.379
    4    HA   ALA   1           HA       ALA   1 -12.454  -8.168  -1.937
    5   1HB   ALA   1          HB1       ALA   1 -11.090  -8.334  -3.943
    6   2HB   ALA   1          HB2       ALA   1 -11.964  -6.798  -3.970
    7   3HB   ALA   1          HB3       ALA   1 -10.242  -6.818  -3.542
    8    H    ASP   2           H        ASP   2  -9.660  -9.156  -2.739
    9    HA   ASP   2           HA       ASP   2  -8.470  -9.561  -0.018
   10   1HB   ASP   2          HB2       ASP   2 -10.053 -11.376  -1.026
   11   2HB   ASP   2          HB3       ASP   2  -8.720 -11.719  -2.138
   12    H    VAL   3           H        VAL   3  -6.370 -11.281  -1.216
   13    HA   VAL   3           HA       VAL   3  -4.458  -9.219  -1.522
   14    HB   VAL   3           HB       VAL   3  -4.234 -12.174  -2.132
   15   1HG1  VAL   3          HG1       VAL   3  -2.332 -10.961  -3.214
   16   2HG1  VAL   3          HG1       VAL   3  -2.021 -10.118  -1.681
   17   3HG1  VAL   3          HG1       VAL   3  -1.800 -11.869  -1.799
   18   1HG2  VAL   3          HG2       VAL   3  -3.182 -12.245   0.114
   19   2HG2  VAL   3          HG2       VAL   3  -3.457 -10.505   0.313
   20   3HG2  VAL   3          HG2       VAL   3  -4.828 -11.625   0.241
   21    H    VAL   4           H        VAL   4  -5.061  -7.787  -3.142
   22    HA   VAL   4           HA       VAL   4  -4.964  -8.525  -5.962
   23    HB   VAL   4           HB       VAL   4  -4.842  -5.750  -4.705
   24   1HG1  VAL   4          HG1       VAL   4  -5.852  -5.035  -6.872
   25   2HG1  VAL   4          HG1       VAL   4  -4.215  -5.642  -7.056
   26   3HG1  VAL   4          HG1       VAL   4  -5.595  -6.672  -7.508
   27   1HG2  VAL   4          HG2       VAL   4  -7.326  -5.734  -5.264
   28   2HG2  VAL   4          HG2       VAL   4  -7.215  -7.500  -5.428
   29   3HG2  VAL   4          HG2       VAL   4  -6.846  -6.700  -3.881
   30    H    THR   5           H        THR   5  -3.371  -7.920  -7.554
   31    HA   THR   5           HA       THR   5  -0.717  -6.973  -6.551
   32    HB   THR   5           HB       THR   5  -1.291  -9.429  -8.231
   33    HG1  THR   5           HG1      THR   5   0.698  -9.154  -6.269
   34   1HG2  THR   5          HG2       THR   5   1.371  -8.000  -7.904
   35   2HG2  THR   5          HG2       THR   5   1.116  -9.606  -8.625
   36   3HG2  THR   5          HG2       THR   5   0.489  -8.173  -9.448
   37    H    TYR   6           H        TYR   6   0.155  -5.385  -7.638
   38    HA   TYR   6           HA       TYR   6  -1.218  -4.353 -10.063
   39   1HB   TYR   6          HB2       TYR   6   0.506  -3.246  -7.900
   40   2HB   TYR   6          HB3       TYR   6   0.627  -2.492  -9.481
   41    HD1  TYR   6           HD1      TYR   6  -2.131  -3.891  -7.279
   42    HD2  TYR   6           HD2      TYR   6  -0.851  -0.704  -9.860
   43    HE1  TYR   6           HE1      TYR   6  -4.205  -2.631  -6.752
   44    HE2  TYR   6           HE2      TYR   6  -2.925   0.557  -9.333
   45    HH   TYR   6           HH       TYR   6  -5.522  -0.764  -7.304
   46    H    GLU   7           H        GLU   7  -0.520  -5.783 -11.609
   47    HA   GLU   7           HA       GLU   7   2.233  -6.417 -12.107
   48   1HB   GLU   7          HB2       GLU   7  -0.243  -6.760 -13.823
   49   2HB   GLU   7          HB3       GLU   7   1.313  -7.575 -14.040
   50   1HG   GLU   7          HG2       GLU   7   1.042  -8.508 -11.751
   51   2HG   GLU   7          HG3       GLU   7  -0.582  -7.799 -11.617
   52    H    ASN   8           H        ASN   8   2.973  -4.152 -11.959
   53    HA   ASN   8           HA       ASN   8   2.481  -2.432 -14.333
   54   1HB   ASN   8          HB2       ASN   8   3.351  -0.662 -12.996
   55   2HB   ASN   8          HB3       ASN   8   2.184  -1.529 -12.030
   56   1HD2  ASN   8          HD2       ASN   8   3.018  -2.972 -10.277
   57   2HD2  ASN   8          HD2       ASN   8   4.700  -2.832  -9.782
   58    H    ALA   9           H        ALA   9   4.487  -1.056 -14.969
   59    HA   ALA   9           HA       ALA   9   6.223  -3.009 -16.219
   60   1HB   ALA   9          HB1       ALA   9   5.490  -0.913 -17.287
   61   2HB   ALA   9          HB2       ALA   9   6.459   0.008 -16.106
   62   3HB   ALA   9          HB3       ALA   9   7.263  -1.082 -17.260
   63    H    ALA  10           H        ALA  10   6.527  -1.276 -13.191
   64    HA   ALA  10           HA       ALA  10   9.507  -1.480 -13.231
   65   1HB   ALA  10          HB1       ALA  10   9.415   0.089 -11.388
   66   2HB   ALA  10          HB2       ALA  10   8.433   0.668 -12.751
   67   3HB   ALA  10          HB3       ALA  10   7.642  -0.034 -11.322
   68    H    GLY  11           H        GLY  11   7.436  -3.768 -12.704
   69   1HA   GLY  11          HA2       GLY  11   8.129  -5.802 -11.434
   70   2HA   GLY  11          HA3       GLY  11   8.796  -4.775 -10.200
   71    H    ASN  12           H        ASN  12   6.419  -6.870 -10.356
   72    HA   ASN  12           HA       ASN  12   4.130  -5.225  -9.586
   73   1HB   ASN  12          HB2       ASN  12   3.017  -7.234  -9.057
   74   2HB   ASN  12          HB3       ASN  12   3.628  -7.235 -10.689
   75   1HD2  ASN  12          HD2       ASN  12   2.933  -9.687  -9.490
   76   2HD2  ASN  12          HD2       ASN  12   4.421 -10.586  -9.245
   77    H    VAL  13           H        VAL  13   3.224  -5.016  -7.632
   78    HA   VAL  13           HA       VAL  13   5.225  -4.882  -5.476
   79    HB   VAL  13           HB       VAL  13   4.474  -2.788  -5.969
   80   1HG1  VAL  13          HG1       VAL  13   1.664  -3.932  -6.022
   81   2HG1  VAL  13          HG1       VAL  13   2.007  -2.200  -5.931
   82   3HG1  VAL  13          HG1       VAL  13   2.587  -3.114  -7.327
   83   1HG2  VAL  13          HG2       VAL  13   4.434  -3.342  -3.499
   84   2HG2  VAL  13          HG2       VAL  13   3.421  -1.974  -4.005
   85   3HG2  VAL  13          HG2       VAL  13   2.668  -3.539  -3.643
   86    H    THR  14           H        THR  14   2.030  -6.246  -6.009
   87    HA   THR  14           HA       THR  14   0.652  -7.475  -4.759
   88    HB   THR  14           HB       THR  14   3.205  -8.410  -3.661
   89    HG1  THR  14           HG1      THR  14   0.732  -9.708  -3.993
   90   1HG2  THR  14          HG2       THR  14   0.687  -8.707  -1.951
   91   2HG2  THR  14          HG2       THR  14   2.150  -9.697  -1.833
   92   3HG2  THR  14          HG2       THR  14   2.233  -7.980  -1.445
   93    H    PHE  15           H        PHE  15  -0.847  -6.284  -4.111
   94    HA   PHE  15           HA       PHE  15  -0.654  -4.560  -1.679
   95   1HB   PHE  15          HB2       PHE  15  -2.942  -5.400  -3.519
   96   2HB   PHE  15          HB3       PHE  15  -3.160  -4.530  -2.016
   97    HD1  PHE  15           HD1      PHE  15  -0.255  -3.404  -3.983
   98    HD2  PHE  15           HD2      PHE  15  -4.529  -3.059  -3.483
   99    HE1  PHE  15           HE1      PHE  15  -0.171  -1.089  -4.796
  100    HE2  PHE  15           HE2      PHE  15  -4.444  -0.773  -4.383
  101    HZ   PHE  15           HZ       PHE  15  -2.206   0.323  -4.714
  102    H    ASP  16           H        ASP  16  -1.853  -5.277   0.199
  103    HA   ASP  16           HA       ASP  16  -3.300  -7.852  -0.169
  104   1HB   ASP  16          HB2       ASP  16  -2.313  -6.917   2.485
  105   2HB   ASP  16          HB3       ASP  16  -3.044  -8.479   2.057
  106    H    HIS  17           HN       HIS  17  -5.420  -7.457  -0.100
  107    HA   HIS  17           HA       HIS  17  -6.487  -5.291   1.634
  108   1HB   HIS  17          HB2       HIS  17  -7.606  -7.207  -0.303
  109   2HB   HIS  17          HB3       HIS  17  -8.452  -7.277   1.225
  110    HD1  HIS  17           HND      HIS  17  -8.369  -5.308  -1.891
  111    HD2  HIS  17           HD       HIS  17  -8.904  -4.610   2.197
  112    HE1  HIS  17           HE       HIS  17  -9.222  -2.953  -1.700
  113    H    LYS  18           H        LYS  18  -6.400  -8.863   1.518
  114    HA   LYS  18           HA       LYS  18  -7.476  -9.202   4.049
  115   1HB   LYS  18          HB2       LYS  18  -7.301 -10.844   2.118
  116   2HB   LYS  18          HB3       LYS  18  -5.665 -11.215   2.660
  117   1HG   LYS  18          HG2       LYS  18  -6.776 -11.653   4.990
  118   2HG   LYS  18          HG3       LYS  18  -8.319 -11.577   4.097
  119   1HD   LYS  18          HD2       LYS  18  -7.306 -13.345   2.513
  120   2HD   LYS  18          HD3       LYS  18  -6.010 -13.533   3.700
  121   1HE   LYS  18          HE2       LYS  18  -8.994 -14.073   4.067
  122   2HE   LYS  18          HE3       LYS  18  -7.677 -15.252   4.073
  123   1HZ   LYS  18          HZ1       LYS  18  -6.825 -14.011   6.107
  124   2HZ   LYS  18          HZ2       LYS  18  -8.204 -13.199   6.144
  125   3HZ   LYS  18          HZ3       LYS  18  -8.239 -14.818   6.348
  126    H    ALA  19           H        ALA  19  -4.012  -9.933   3.272
  127    HA   ALA  19           HA       ALA  19  -3.438 -10.496   5.936
  128   1HB   ALA  19          HB1       ALA  19  -1.078 -10.509   5.296
  129   2HB   ALA  19          HB2       ALA  19  -2.061 -11.228   4.005
  130   3HB   ALA  19          HB3       ALA  19  -1.436  -9.574   3.837
  131    H    HIS  20           HN       HIS  20  -2.756  -7.440   4.217
  132    HA   HIS  20           HA       HIS  20  -1.745  -5.979   6.437
  133   1HB   HIS  20          HB2       HIS  20  -3.168  -5.106   3.914
  134   2HB   HIS  20          HB3       HIS  20  -2.830  -3.975   5.216
  135    HD1  HIS  20           HND      HIS  20  -0.551  -6.342   3.028
  136    HD2  HIS  20           HD       HIS  20  -0.721  -2.577   4.949
  137    HE1  HIS  20           HE       HIS  20   1.421  -5.111   2.298
  138    H    ALA  21           H        ALA  21  -5.216  -6.539   5.393
  139    HA   ALA  21           HA       ALA  21  -6.276  -4.986   7.528
  140   1HB   ALA  21          HB1       ALA  21  -8.365  -6.142   7.154
  141   2HB   ALA  21          HB2       ALA  21  -7.650  -5.610   5.622
  142   3HB   ALA  21          HB3       ALA  21  -7.578  -7.322   6.096
  143    H    GLU  22           H        GLU  22  -5.467  -8.486   7.425
  144    HA   GLU  22           HA       GLU  22  -6.509  -9.129   9.956
  145   1HB   GLU  22          HB2       GLU  22  -4.115 -10.428   8.596
  146   2HB   GLU  22          HB3       GLU  22  -5.124 -11.128   9.870
  147   1HG   GLU  22          HG2       GLU  22  -7.039 -10.527   8.060
  148   2HG   GLU  22          HG3       GLU  22  -5.665 -10.707   6.966
  149    H    LYS  23           H        LYS  23  -3.238  -7.863   9.146
  150    HA   LYS  23           HA       LYS  23  -2.517  -7.805  11.982
  151   1HB   LYS  23          HB2       LYS  23  -1.059  -7.868   9.604
  152   2HB   LYS  23          HB3       LYS  23  -0.789  -6.227  10.197
  153   1HG   LYS  23          HG2       LYS  23  -0.251  -7.205  12.465
  154   2HG   LYS  23          HG3       LYS  23  -0.407  -8.822  11.741
  155   1HD   LYS  23          HD2       LYS  23   1.438  -8.264  10.144
  156   2HD   LYS  23          HD3       LYS  23   1.587  -6.664  10.893
  157   1HE   LYS  23          HE2       LYS  23   2.111  -7.757  13.090
  158   2HE   LYS  23          HE3       LYS  23   2.007  -9.348  12.308
  159   1HZ   LYS  23          HZ1       LYS  23   3.814  -8.614  10.820
  160   2HZ   LYS  23          HZ2       LYS  23   3.902  -7.214  11.500
  161   3HZ   LYS  23          HZ3       LYS  23   4.332  -8.549  12.402
  162    H    LEU  24           H        LEU  24  -3.573  -5.356   9.634
  163    HA   LEU  24           HA       LEU  24  -3.122  -3.130  11.581
  164   1HB   LEU  24          HB2       LEU  24  -3.740  -2.878   8.665
  165   2HB   LEU  24          HB3       LEU  24  -3.038  -1.720   9.810
  166    HG   LEU  24           HG       LEU  24  -1.594  -4.236   8.904
  167   1HD1  LEU  24          HD1       LEU  24  -0.266  -2.681   7.532
  168   2HD1  LEU  24          HD1       LEU  24  -1.972  -2.700   7.042
  169   3HD1  LEU  24          HD1       LEU  24  -1.349  -1.347   7.999
  170   1HD2  LEU  24          HD2       LEU  24  -0.852  -3.407  11.119
  171   2HD2  LEU  24          HD2       LEU  24   0.368  -3.097   9.876
  172   3HD2  LEU  24          HD2       LEU  24  -0.666  -1.771  10.448
  173    H    GLY  25           H        GLY  25  -5.727  -3.794   9.135
  174   1HA   GLY  25          HA2       GLY  25  -7.968  -4.101  10.370
  175   2HA   GLY  25          HA3       GLY  25  -7.659  -2.405  10.821
  176    H    CYS  26           HN       CYS  26  -9.587  -2.203   9.540
  177    HA   CYS  26           HA       CYS  26  -9.132  -1.781   6.595
  178   1HB   CYS  26          HB2       CYS  26 -11.659  -1.092   8.081
  179   2HB   CYS  26          HB3       CYS  26 -11.363  -1.231   6.337
  180    H    ASP  27           H        ASP  27 -10.158  -0.070   9.508
  181    HA   ASP  27           HA       ASP  27 -10.019   2.571   8.999
  182   1HB   ASP  27          HB2       ASP  27  -8.752   1.203  11.415
  183   2HB   ASP  27          HB3       ASP  27  -9.555   2.778  11.351
  184    H    ALA  28           H        ALA  28  -7.315   0.508   9.867
  185    HA   ALA  28           HA       ALA  28  -5.016   1.913   9.730
  186   1HB   ALA  28          HB1       ALA  28  -5.694  -0.814   8.575
  187   2HB   ALA  28          HB2       ALA  28  -4.039  -0.189   8.699
  188   3HB   ALA  28          HB3       ALA  28  -4.993  -0.472  10.170
  189    H    CYS  29           HN       CYS  29  -6.988   1.233   6.817
  190    HA   CYS  29           HA       CYS  29  -4.997   2.740   5.129
  191   1HB   CYS  29          HB2       CYS  29  -6.741   0.350   4.555
  192   2HB   CYS  29          HB3       CYS  29  -6.014   1.360   3.296
  193    H    HIS  30           HN       HIS  30  -8.116   2.846   6.508
  194    HA   HIS  30           HA       HIS  30  -9.245   4.472   4.258
  195   1HB   HIS  30          HB2       HIS  30 -10.359   1.985   5.623
  196   2HB   HIS  30          HB3       HIS  30 -11.347   3.088   4.704
  197    HD1  HIS  30           HND      HIS  30 -10.715   3.287   2.033
  198    HD2  HIS  30           HD       HIS  30  -9.502  -0.032   4.261
  199    HE1  HIS  30           HE       HIS  30 -10.595   1.286   0.391
  200    H    GLU  31           H        GLU  31  -9.770   6.393   5.042
  201    HA   GLU  31           HA       GLU  31 -10.396   6.824   7.778
  202   1HB   GLU  31          HB2       GLU  31 -10.818   8.569   5.315
  203   2HB   GLU  31          HB3       GLU  31 -10.975   9.119   6.990
  204   1HG   GLU  31          HG2       GLU  31  -8.600   8.545   7.424
  205   2HG   GLU  31          HG3       GLU  31  -8.406   8.016   5.744
  206    H    GLY  32           H        GLY  32 -12.014   4.984   7.779
  207   1HA   GLY  32          HA2       GLY  32 -14.213   4.294   8.105
  208   2HA   GLY  32          HA3       GLY  32 -14.790   5.919   7.703
  209    H    THR  33           H        THR  33 -16.423   4.559   6.615
  210    HA   THR  33           HA       THR  33 -17.158   3.185   4.816
  211    HB   THR  33           HB       THR  33 -16.983   6.023   3.782
  212    HG1  THR  33           HG1      THR  33 -17.615   6.034   5.914
  213   1HG2  THR  33          HG2       THR  33 -19.261   5.496   2.970
  214   2HG2  THR  33          HG2       THR  33 -18.092   4.378   2.243
  215   3HG2  THR  33          HG2       THR  33 -19.125   3.843   3.590
  216    HA   PRO  34           HA       PRO  34 -13.236   2.888   2.459
  217   1HB   PRO  34          HB2       PRO  34 -12.805   0.218   2.495
  218   2HB   PRO  34          HB3       PRO  34 -12.688   1.198   3.975
  219   1HG   PRO  34          HG2       PRO  34 -15.121  -0.367   3.075
  220   2HG   PRO  34          HG3       PRO  34 -14.269  -0.467   4.654
  221   1HD   PRO  34          HD2       PRO  34 -16.431   1.106   4.325
  222   2HD   PRO  34          HD3       PRO  34 -15.033   1.650   5.299
  223    H    ALA  35           H        ALA  35 -14.921   3.732   0.805
  224    HA   ALA  35           HA       ALA  35 -16.282   1.895  -0.872
  225   1HB   ALA  35          HB1       ALA  35 -16.778   3.832  -2.281
  226   2HB   ALA  35          HB2       ALA  35 -16.921   4.250  -0.564
  227   3HB   ALA  35          HB3       ALA  35 -15.488   4.764  -1.482
  228    H    LYS  36           H        LYS  36 -13.198   3.252  -1.269
  229    HA   LYS  36           HA       LYS  36 -11.824   1.527  -2.831
  230   1HB   LYS  36          HB2       LYS  36 -11.706   2.441  -5.002
  231   2HB   LYS  36          HB3       LYS  36 -13.374   2.025  -4.642
  232   1HG   LYS  36          HG2       LYS  36 -12.697   4.860  -4.041
  233   2HG   LYS  36          HG3       LYS  36 -12.464   4.392  -5.731
  234   1HD   LYS  36          HD2       LYS  36 -14.832   3.493  -5.768
  235   2HD   LYS  36          HD3       LYS  36 -15.016   4.020  -4.100
  236   1HE   LYS  36          HE2       LYS  36 -16.052   5.684  -5.467
  237   2HE   LYS  36          HE3       LYS  36 -14.578   6.391  -4.793
  238   1HZ   LYS  36          HZ1       LYS  36 -14.860   5.265  -7.517
  239   2HZ   LYS  36          HZ2       LYS  36 -14.838   6.867  -7.149
  240   3HZ   LYS  36          HZ3       LYS  36 -13.495   5.953  -6.912
  241    H    ILE  37           H        ILE  37  -9.792   2.717  -3.883
  242    HA   ILE  37           HA       ILE  37  -9.226   5.366  -2.753
  243    HB   ILE  37           HB       ILE  37  -7.322   3.016  -2.361
  244   1HG1  ILE  37          HG1       ILE  37  -8.961   4.605  -0.337
  245   2HG1  ILE  37          HG1       ILE  37  -9.096   2.878  -0.719
  246   1HG2  ILE  37          HG2       ILE  37  -7.038   5.943  -1.555
  247   2HG2  ILE  37          HG2       ILE  37  -5.861   4.653  -1.238
  248   3HG2  ILE  37          HG2       ILE  37  -6.161   5.158  -2.884
  249   1HD1  ILE  37          HD1       ILE  37  -6.830   4.249   0.750
  250   2HD1  ILE  37          HD1       ILE  37  -7.945   3.018   1.339
  251   3HD1  ILE  37          HD1       ILE  37  -6.730   2.583   0.131
  252    H    ALA  38           H        ALA  38  -8.023   6.581  -4.267
  253    HA   ALA  38           HA       ALA  38  -7.637   5.318  -6.900
  254   1HB   ALA  38          HB1       ALA  38  -8.669   7.503  -6.802
  255   2HB   ALA  38          HB2       ALA  38  -7.206   8.183  -6.037
  256   3HB   ALA  38          HB3       ALA  38  -7.124   7.508  -7.685
  257    H    ILE  39           H        ILE  39  -5.948   4.136  -7.137
  258    HA   ILE  39           HA       ILE  39  -3.295   4.768  -5.959
  259    HB   ILE  39           HB       ILE  39  -4.426   2.297  -7.272
  260   1HG1  ILE  39          HG1       ILE  39  -5.483   2.651  -5.141
  261   2HG1  ILE  39          HG1       ILE  39  -4.340   1.340  -5.066
  262   1HG2  ILE  39          HG2       ILE  39  -2.011   2.464  -7.709
  263   2HG2  ILE  39          HG2       ILE  39  -1.712   2.669  -5.973
  264   3HG2  ILE  39          HG2       ILE  39  -2.409   1.167  -6.624
  265   1HD1  ILE  39          HD1       ILE  39  -2.673   2.886  -3.938
  266   2HD1  ILE  39          HD1       ILE  39  -3.922   4.154  -3.943
  267   3HD1  ILE  39          HD1       ILE  39  -4.174   2.670  -3.034
  268    H    ASP  40           H        ASP  40  -1.570   5.285  -7.101
  269    HA   ASP  40           HA       ASP  40  -0.849   4.655  -9.708
  270   1HB   ASP  40          HB2       ASP  40  -2.509   6.166 -10.579
  271   2HB   ASP  40          HB3       ASP  40  -2.111   7.400  -9.350
  272    H    LYS  41           H        LYS  41   1.058   6.093 -10.267
  273    HA   LYS  41           HA       LYS  41   2.907   6.445  -8.045
  274   1HB   LYS  41          HB2       LYS  41   4.370   7.660  -9.719
  275   2HB   LYS  41          HB3       LYS  41   4.025   5.964  -9.973
  276   1HG   LYS  41          HG2       LYS  41   2.085   7.734 -11.384
  277   2HG   LYS  41          HG3       LYS  41   3.762   8.003 -11.882
  278   1HD   LYS  41          HD2       LYS  41   4.123   5.671 -12.356
  279   2HD   LYS  41          HD3       LYS  41   2.584   5.242 -11.598
  280   1HE   LYS  41          HE2       LYS  41   1.453   6.588 -13.472
  281   2HE   LYS  41          HE3       LYS  41   3.002   6.499 -14.309
  282   1HZ   LYS  41          HZ1       LYS  41   1.597   4.094 -13.237
  283   2HZ   LYS  41          HZ2       LYS  41   1.396   4.618 -14.773
  284   3HZ   LYS  41          HZ3       LYS  41   2.847   4.072 -14.256
  285    H    LYS  42           H        LYS  42   0.405   8.595  -9.181
  286    HA   LYS  42           HA       LYS  42   1.603  10.908  -7.865
  287   1HB   LYS  42          HB2       LYS  42   0.037  10.911  -9.863
  288   2HB   LYS  42          HB3       LYS  42  -1.264  10.391  -8.782
  289   1HG   LYS  42          HG2       LYS  42  -0.968  12.494  -7.466
  290   2HG   LYS  42          HG3       LYS  42   0.378  12.948  -8.539
  291   1HD   LYS  42          HD2       LYS  42  -1.264  12.804 -10.502
  292   2HD   LYS  42          HD3       LYS  42  -2.537  12.455  -9.337
  293   1HE   LYS  42          HE2       LYS  42  -2.715  14.780  -9.878
  294   2HE   LYS  42          HE3       LYS  42  -2.106  14.672  -8.221
  295   1HZ   LYS  42          HZ1       LYS  42  -0.465  15.143 -10.640
  296   2HZ   LYS  42          HZ2       LYS  42  -0.891  16.293  -9.545
  297   3HZ   LYS  42          HZ3       LYS  42   0.116  15.069  -9.105
  298    H    SER  43           H        SER  43  -0.156   8.088  -6.865
  299    HA   SER  43           HA       SER  43  -0.929   9.390  -4.308
  300   1HB   SER  43          HB2       SER  43  -2.037   6.899  -5.646
  301   2HB   SER  43          HB3       SER  43  -2.525   7.503  -4.053
  302    HG   SER  43           HG       SER  43  -3.898   8.172  -5.750
  303    H    ALA  44           H        ALA  44   0.040   6.187  -5.482
  304    HA   ALA  44           HA       ALA  44   0.575   4.873  -3.086
  305   1HB   ALA  44          HB1       ALA  44   0.201   3.795  -5.225
  306   2HB   ALA  44          HB2       ALA  44   1.755   4.402  -5.837
  307   3HB   ALA  44          HB3       ALA  44   1.718   3.251  -4.483
  308    H    HIS  45           HN       HIS  45   2.655   6.803  -5.135
  309    HA   HIS  45           HA       HIS  45   5.142   6.277  -3.685
  310   1HB   HIS  45          HB2       HIS  45   4.257   7.789  -6.089
  311   2HB   HIS  45          HB3       HIS  45   5.784   8.226  -5.377
  312    HD1  HIS  45           HND      HIS  45   6.970   7.344  -7.576
  313    HD2  HIS  45           HD       HIS  45   4.912   4.435  -5.326
  314    HE1  HIS  45           HE       HIS  45   7.796   5.076  -8.373
  315    H    LYS  46           H        LYS  46   2.568   8.705  -3.462
  316    HA   LYS  46           HA       LYS  46   4.339  10.631  -2.046
  317   1HB   LYS  46          HB2       LYS  46   1.342  10.646  -2.620
  318   2HB   LYS  46          HB3       LYS  46   2.215  11.802  -1.592
  319   1HG   LYS  46          HG2       LYS  46   3.650  12.430  -3.530
  320   2HG   LYS  46          HG3       LYS  46   2.693  11.347  -4.548
  321   1HD   LYS  46          HD2       LYS  46   1.958  13.648  -4.812
  322   2HD   LYS  46          HD3       LYS  46   0.653  12.693  -4.127
  323   1HE   LYS  46          HE2       LYS  46   2.474  14.245  -2.264
  324   2HE   LYS  46          HE3       LYS  46   1.256  15.111  -3.203
  325   1HZ   LYS  46          HZ1       LYS  46  -0.453  13.751  -2.267
  326   2HZ   LYS  46          HZ2       LYS  46   0.617  12.868  -1.399
  327   3HZ   LYS  46          HZ3       LYS  46   0.401  14.457  -1.055
  328    H    ASP  47           H        ASP  47   1.370   8.770  -1.304
  329    HA   ASP  47           HA       ASP  47   1.979   9.028   1.593
  330   1HB   ASP  47          HB2       ASP  47   1.081  11.188   0.693
  331   2HB   ASP  47          HB3       ASP  47  -0.424  10.345   0.264
  332    H    ALA  48           H        ALA  48  -0.866   8.227  -0.484
  333    HA   ALA  48           HA       ALA  48  -1.840   6.061   1.077
  334   1HB   ALA  48          HB1       ALA  48  -3.041   7.008  -0.870
  335   2HB   ALA  48          HB2       ALA  48  -1.771   6.395  -1.956
  336   3HB   ALA  48          HB3       ALA  48  -2.804   5.258  -1.061
  337    H    CYS  49           HN       CYS  49  -1.093   3.968   1.330
  338    HA   CYS  49           HA       CYS  49   0.475   2.349   1.606
  339   1HB   CYS  49          HB2       CYS  49   1.886   3.149  -0.947
  340   2HB   CYS  49          HB3       CYS  49   1.975   1.634  -0.075
  341    H    LYS  50           H        LYS  50   2.262   4.905   0.046
  342    HA   LYS  50           HA       LYS  50   4.598   4.385   1.298
  343   1HB   LYS  50          HB2       LYS  50   3.633   6.561  -0.355
  344   2HB   LYS  50          HB3       LYS  50   4.912   7.103   0.709
  345   1HG   LYS  50          HG2       LYS  50   5.177   4.548  -0.927
  346   2HG   LYS  50          HG3       LYS  50   5.528   6.132  -1.574
  347   1HD   LYS  50          HD2       LYS  50   7.596   5.140  -0.956
  348   2HD   LYS  50          HD3       LYS  50   7.285   6.575   0.027
  349   1HE   LYS  50          HE2       LYS  50   6.661   5.199   1.932
  350   2HE   LYS  50          HE3       LYS  50   6.753   3.709   0.965
  351   1HZ   LYS  50          HZ1       LYS  50   9.059   5.457   1.526
  352   2HZ   LYS  50          HZ2       LYS  50   8.606   4.193   2.473
  353   3HZ   LYS  50          HZ3       LYS  50   9.100   3.926   0.910
  354    H    THR  51           H        THR  51   2.442   7.064   2.529
  355    HA   THR  51           HA       THR  51   4.315   7.905   4.479
  356    HB   THR  51           HB       THR  51   1.351   8.300   4.242
  357    HG1  THR  51           HG1      THR  51   2.109  10.294   3.678
  358   1HG2  THR  51          HG2       THR  51   1.752   8.398   6.677
  359   2HG2  THR  51          HG2       THR  51   3.197   9.408   6.413
  360   3HG2  THR  51          HG2       THR  51   1.582  10.028   6.013
  361    H    CYS  52           HN       CYS  52   2.052   5.198   4.794
  362    HA   CYS  52           HA       CYS  52   2.724   4.729   7.606
  363   1HB   CYS  52          HB2       CYS  52   0.729   3.838   6.491
  364   2HB   CYS  52          HB3       CYS  52   1.765   2.800   5.489
  365    H    HIS  53           HN       HIS  53   3.839   3.397   4.507
  366    HA   HIS  53           HA       HIS  53   6.191   2.043   5.463
  367   1HB   HIS  53          HB2       HIS  53   5.088   2.933   2.822
  368   2HB   HIS  53          HB3       HIS  53   6.705   2.252   2.927
  369    HD1  HIS  53           HND      HIS  53   6.946  -0.281   3.077
  370    HD2  HIS  53           HD       HIS  53   3.014   1.145   3.526
  371    HE1  HIS  53           HE       HIS  53   5.409  -2.323   3.104
  372    H    LYS  54           H        LYS  54   6.092   4.841   6.469
  373    HA   LYS  54           HA       LYS  54   8.783   5.888   5.625
  374   1HB   LYS  54          HB2       LYS  54   6.438   7.451   6.520
  375   2HB   LYS  54          HB3       LYS  54   8.097   7.968   6.229
  376   1HG   LYS  54          HG2       LYS  54   7.946   6.961   3.889
  377   2HG   LYS  54          HG3       LYS  54   6.229   6.804   4.211
  378   1HD   LYS  54          HD2       LYS  54   6.303   9.295   4.871
  379   2HD   LYS  54          HD3       LYS  54   7.952   9.232   4.206
  380   1HE   LYS  54          HE2       LYS  54   7.147   9.381   2.012
  381   2HE   LYS  54          HE3       LYS  54   5.997   8.085   2.322
  382   1HZ   LYS  54          HZ1       LYS  54   4.818  10.028   1.691
  383   2HZ   LYS  54          HZ2       LYS  54   4.442   9.718   3.236
  384   3HZ   LYS  54          HZ3       LYS  54   5.495  10.930   2.893
  385    H    SER  55           H        SER  55   6.221   5.805   8.186
  386    HA   SER  55           HA       SER  55   8.068   6.381  10.349
  387   1HB   SER  55          HB2       SER  55   5.650   7.114  10.174
  388   2HB   SER  55          HB3       SER  55   5.189   5.439  10.553
  389    HG   SER  55           HG       SER  55   5.353   6.638  12.481
  390    H    ASN  56           H        ASN  56   9.314   4.382   9.352
  391    HA   ASN  56           HA       ASN  56   9.427   2.326  11.330
  392   1HB   ASN  56          HB2       ASN  56   8.826   0.412   9.974
  393   2HB   ASN  56          HB3       ASN  56   7.436   1.494   9.927
  394   1HD2  ASN  56          HD2       ASN  56   7.054   2.756   7.882
  395   2HD2  ASN  56          HD2       ASN  56   7.986   2.281   6.454
  396    H    ASN  57           H        ASN  57  11.164   0.726  10.574
  397    HA   ASN  57           HA       ASN  57  13.015   1.839   8.466
  398   1HB   ASN  57          HB2       ASN  57  13.801   0.704  11.178
  399   2HB   ASN  57          HB3       ASN  57  14.917   1.086   9.863
  400   1HD2  ASN  57          HD2       ASN  57  12.843   3.653   9.500
  401   2HD2  ASN  57          HD2       ASN  57  13.674   4.716  10.629
  402    H    GLY  58           H        GLY  58  11.185   0.133   7.632
  403   1HA   GLY  58          HA2       GLY  58  12.694  -2.451   7.263
  404   2HA   GLY  58          HA3       GLY  58  10.950  -2.309   7.355
  405    HA   PRO  59           HA       PRO  59  11.827  -2.310   2.884
  406   1HB   PRO  59          HB2       PRO  59   9.341  -2.795   1.895
  407   2HB   PRO  59          HB3       PRO  59  10.338  -4.028   2.709
  408   1HG   PRO  59          HG2       PRO  59   8.130  -2.360   3.930
  409   2HG   PRO  59          HG3       PRO  59   8.405  -4.123   4.069
  410   1HD   PRO  59          HD2       PRO  59   9.188  -2.389   5.996
  411   2HD   PRO  59          HD3       PRO  59  10.136  -3.858   5.603
  412    H    THR  60           H        THR  60  12.452  -0.189   3.213
  413    HA   THR  60           HA       THR  60  10.756   2.104   2.528
  414    HB   THR  60           HB       THR  60  13.095   3.212   2.722
  415    HG1  THR  60           HG1      THR  60  13.837   0.843   4.042
  416   1HG2  THR  60          HG2       THR  60  11.482   3.241   4.599
  417   2HG2  THR  60          HG2       THR  60  12.042   1.643   5.125
  418   3HG2  THR  60          HG2       THR  60  13.146   3.031   5.178
  419    H    LYS  61           H        LYS  61  13.640   0.531   1.223
  420    HA   LYS  61           HA       LYS  61  14.050   1.799  -1.217
  421   1HB   LYS  61          HB2       LYS  61  14.357  -1.103  -0.366
  422   2HB   LYS  61          HB3       LYS  61  14.943  -0.544  -1.925
  423   1HG   LYS  61          HG2       LYS  61  15.869   0.802   0.642
  424   2HG   LYS  61          HG3       LYS  61  16.582  -0.708   0.060
  425   1HD   LYS  61          HD2       LYS  61  17.089   0.342  -2.135
  426   2HD   LYS  61          HD3       LYS  61  16.463   1.892  -1.533
  427   1HE   LYS  61          HE2       LYS  61  18.184   1.901   0.257
  428   2HE   LYS  61          HE3       LYS  61  18.766   0.313  -0.268
  429   1HZ   LYS  61          HZ1       LYS  61  20.136   2.082  -1.132
  430   2HZ   LYS  61          HZ2       LYS  61  19.403   1.290  -2.368
  431   3HZ   LYS  61          HZ3       LYS  61  18.859   2.771  -1.902
  432    H    CYS  62           HN       CYS  62  13.496   1.405  -3.387
  433    HA   CYS  62           HA       CYS  62  10.929   0.860  -4.242
  434   1HB   CYS  62          HB2       CYS  62  13.362  -0.007  -5.814
  435   2HB   CYS  62          HB3       CYS  62  11.823   0.597  -6.424
  436    H    GLY  63           H        GLY  63  13.590  -1.480  -4.120
  437   1HA   GLY  63          HA2       GLY  63  12.306  -3.828  -4.895
  438   2HA   GLY  63          HA3       GLY  63  13.714  -3.733  -3.844
  439    H    GLY  64           H        GLY  64  12.014  -2.139  -1.787
  440   1HA   GLY  64          HA2       GLY  64  11.094  -4.363  -0.186
  441   2HA   GLY  64          HA3       GLY  64  10.907  -2.627   0.116
  442    H    CYS  65           HN       CYS  65   9.663  -2.331  -2.685
  443    HA   CYS  65           HA       CYS  65   6.959  -3.519  -2.116
  444   1HB   CYS  65          HB2       CYS  65   7.755  -0.997  -3.572
  445   2HB   CYS  65          HB3       CYS  65   6.155  -1.748  -3.663
  446    H    HIS  66           HN       HIS  66   8.964  -2.472  -4.928
  447    HA   HIS  66           HA       HIS  66   7.400  -4.247  -6.669
  448   1HB   HIS  66          HB2       HIS  66   9.840  -2.521  -7.256
  449   2HB   HIS  66          HB3       HIS  66   8.821  -3.319  -8.405
  450    HD1  HIS  66           HND      HIS  66   6.732  -2.223  -9.185
  451    HD2  HIS  66           HD       HIS  66   8.732  -0.197  -6.132
  452    HE1  HIS  66           HE       HIS  66   5.734   0.135  -9.116
  453    H    ILE  67           H        ILE  67   7.958  -6.380  -7.200
  454    HA   ILE  67           HA       ILE  67  10.367  -7.664  -6.378
  455    HB   ILE  67           HB       ILE  67   8.737  -8.244  -8.878
  456   1HG1  ILE  67          HG1       ILE  67   7.240  -8.373  -7.009
  457   2HG1  ILE  67          HG1       ILE  67   7.623  -9.993  -7.548
  458   1HG2  ILE  67          HG2       ILE  67  10.867  -9.370  -9.029
  459   2HG2  ILE  67          HG2       ILE  67  10.760  -9.935  -7.353
  460   3HG2  ILE  67          HG2       ILE  67   9.651 -10.569  -8.587
  461   1HD1  ILE  67          HD1       ILE  67   9.245 -10.215  -5.631
  462   2HD1  ILE  67          HD1       ILE  67   8.752  -8.596  -5.076
  463   3HD1  ILE  67          HD1       ILE  67   7.578  -9.914  -5.119
  464    H    LYS  68           H        LYS  68  12.496  -7.449  -6.979
  465    HA   LYS  68           HA       LYS  68  13.341  -6.376  -9.523
  466   1HB   LYS  68          HB2       LYS  68  12.531  -4.348  -8.400
  467   2HB   LYS  68          HB3       LYS  68  13.209  -4.905  -6.874
  468   1HG   LYS  68          HG2       LYS  68  14.513  -3.164  -7.500
  469   2HG   LYS  68          HG3       LYS  68  15.506  -4.580  -7.746
  470   1HD   LYS  68          HD2       LYS  68  13.913  -3.160  -9.968
  471   2HD   LYS  68          HD3       LYS  68  15.521  -2.622  -9.504
  472   1HE   LYS  68          HE2       LYS  68  14.797  -5.281 -10.802
  473   2HE   LYS  68          HE3       LYS  68  15.697  -3.938 -11.505
  474   1HZ   LYS  68          HZ1       LYS  68  16.520  -5.728  -9.335
  475   2HZ   LYS  68          HZ2       LYS  68  17.219  -5.605 -10.793
  476   3HZ   LYS  68          HZ3       LYS  68  17.382  -4.367  -9.704
  477    HHA  HEC 130           HCM      HEC  30 -10.867  -0.533  -2.841
  478    HHB  HEC 130           HDM      HEC  30 -13.780  -2.767   2.203
  479    HHC  HEC 130           HAM      HEC  30  -8.254  -3.312   5.062
  480    HHD  HEC 130           HBM      HEC  30  -5.653  -0.163   0.434
  481   1HMA  HEC 130          HM8       HEC  30 -15.196  -3.166  -0.356
  482   2HMA  HEC 130          HM8       HEC  30 -15.347  -1.888   0.896
  483   3HMA  HEC 130          HM8       HEC  30 -15.560  -1.477  -0.785
  484   1HAA  HEC 130          HP7       HEC  30 -13.122  -0.370  -3.236
  485   2HAA  HEC 130          HP7       HEC  30 -14.519  -1.230  -2.691
  486   1HBA  HEC 130          HP7       HEC  30 -12.110  -2.154  -4.165
  487   2HBA  HEC 130          HP7       HEC  30 -13.784  -2.669  -4.358
  488   1HMB  HEC 130          HM1       HEC  30 -13.459  -4.198   5.622
  489   2HMB  HEC 130          HM1       HEC  30 -14.198  -2.991   4.584
  490   3HMB  HEC 130          HM1       HEC  30 -13.845  -4.619   3.951
  491    HAB  HEC 130           HT2      HEC  30  -9.646  -4.064   6.438
  492   1HBB  HEC 130          HT2       HEC  30 -12.000  -5.888   5.853
  493   2HBB  HEC 130          HT2       HEC  30 -10.315  -6.180   5.396
  494   3HBB  HEC 130          HT2       HEC  30 -10.773  -6.093   7.107
  495   1HMC  HEC 130          HM3       HEC  30  -5.939  -2.231   5.744
  496   2HMC  HEC 130          HM3       HEC  30  -5.933  -3.856   4.996
  497   3HMC  HEC 130          HM3       HEC  30  -4.595  -2.733   4.733
  498    HAC  HEC 130           HT4      HEC  30  -4.436   0.114   2.080
  499   1HBC  HEC 130          HT4       HEC  30  -3.437  -1.864   1.271
  500   2HBC  HEC 130          HT4       HEC  30  -2.376  -1.161   2.510
  501   3HBC  HEC 130          HT4       HEC  30  -3.344  -2.598   2.884
  502   1HMD  HEC 130          HM5       HEC  30  -5.777   0.724  -3.097
  503   2HMD  HEC 130          HM5       HEC  30  -5.437   1.408  -1.495
  504   3HMD  HEC 130          HM5       HEC  30  -5.123  -0.310  -1.807
  505   1HAD  HEC 130          HP6       HEC  30  -7.723   1.058  -4.152
  506   2HAD  HEC 130          HP6       HEC  30  -9.396   0.578  -4.159
  507   1HBD  HEC 130          HP6       HEC  30  -8.809  -1.783  -4.282
  508   2HBD  HEC 130          HP6       HEC  30  -7.097  -1.401  -4.079
  509    HHA  HEC 153           HCM      HEC  53   4.598  -5.688   4.584
  510    HHB  HEC 153           HDM      HEC  53   3.048  -2.988  -0.832
  511    HHC  HEC 153           HAM      HEC  53  -0.806   0.779   2.309
  512    HHD  HEC 153           HBM      HEC  53   2.217  -0.738   7.523
  513   1HMA  HEC 153          HM8       HEC  53   4.845  -4.276  -1.269
  514   2HMA  HEC 153          HM8       HEC  53   5.751  -5.580  -0.522
  515   3HMA  HEC 153          HM8       HEC  53   4.057  -5.841  -0.991
  516   1HAA  HEC 153          HP7       HEC  53   5.715  -7.000   1.253
  517   2HAA  HEC 153          HP7       HEC  53   5.086  -7.184   2.876
  518   1HBA  HEC 153          HP7       HEC  53   6.661  -5.362   3.623
  519   2HBA  HEC 153          HP7       HEC  53   7.355  -5.355   2.001
  520   1HMB  HEC 153          HM1       HEC  53   0.743  -0.550  -2.495
  521   2HMB  HEC 153          HM1       HEC  53   2.401  -1.059  -2.192
  522   3HMB  HEC 153          HM1       HEC  53   1.100  -2.275  -2.297
  523    HAB  HEC 153           HT2      HEC  53  -1.335   1.099   0.343
  524   1HBB  HEC 153          HT2       HEC  53  -2.588  -0.626  -0.683
  525   2HBB  HEC 153          HT2       HEC  53  -2.376   0.648  -1.905
  526   3HBB  HEC 153          HT2       HEC  53  -1.409  -0.828  -1.971
  527   1HMC  HEC 153          HM3       HEC  53  -2.138   1.683   5.484
  528   2HMC  HEC 153          HM3       HEC  53  -0.917   2.849   4.926
  529   3HMC  HEC 153          HM3       HEC  53  -1.833   1.862   3.787
  530    HAC  HEC 153           HT4      HEC  53   0.337   0.240   8.144
  531   1HBC  HEC 153          HT4       HEC  53  -1.115   2.738   7.248
  532   2HBC  HEC 153          HT4       HEC  53  -1.853   1.171   7.662
  533   3HBC  HEC 153          HT4       HEC  53  -0.951   2.085   8.869
  534   1HMD  HEC 153          HM5       HEC  53   2.627  -2.383   9.101
  535   2HMD  HEC 153          HM5       HEC  53   3.938  -3.533   9.298
  536   3HMD  HEC 153          HM5       HEC  53   4.311  -1.841   8.910
  537   1HAD  HEC 153          HP6       HEC  53   5.280  -4.864   8.158
  538   2HAD  HEC 153          HP6       HEC  53   5.417  -5.753   6.659
  539   1HBD  HEC 153          HP6       HEC  53   3.489  -6.999   7.041
  540   2HBD  HEC 153          HP6       HEC  53   2.723  -5.731   7.994
  541    HHA  HEC 166           HCM      HEC  66   3.681   2.727 -10.278
  542    HHB  HEC 166           HDM      HEC  66   9.913   2.874 -10.161
  543    HHC  HEC 166           HAM      HEC  66   9.585   2.979  -3.924
  544    HHD  HEC 166           HBM      HEC  66   3.847   0.673  -4.389
  545   1HMA  HEC 166          HM8       HEC  66   7.889   3.060 -13.309
  546   2HMA  HEC 166          HM8       HEC  66   8.586   4.411 -12.399
  547   3HMA  HEC 166          HM8       HEC  66   9.323   2.795 -12.324
  548   1HAA  HEC 166          HP7       HEC  66   5.702   3.769 -13.189
  549   2HAA  HEC 166          HP7       HEC  66   4.263   3.485 -12.220
  550   1HBA  HEC 166          HP7       HEC  66   4.554   1.102 -12.341
  551   2HBA  HEC 166          HP7       HEC  66   6.035   1.284 -13.293
  552   1HMB  HEC 166          HM1       HEC  66  12.880   3.587  -8.013
  553   2HMB  HEC 166          HM1       HEC  66  12.235   2.397  -9.142
  554   3HMB  HEC 166          HM1       HEC  66  11.791   4.116  -9.291
  555    HAB  HEC 166           HT2      HEC  66  11.595   3.246  -4.343
  556   1HBB  HEC 166          HT2       HEC  66  13.161   5.046  -4.689
  557   2HBB  HEC 166          HT2       HEC  66  12.718   5.169  -6.398
  558   3HBB  HEC 166          HT2       HEC  66  11.528   5.563  -5.147
  559   1HMC  HEC 166          HM3       HEC  66   8.679   2.931  -1.759
  560   2HMC  HEC 166          HM3       HEC  66   7.738   1.636  -1.008
  561   3HMC  HEC 166          HM3       HEC  66   9.099   1.225  -2.041
  562    HAC  HEC 166           HT4      HEC  66   4.628  -0.108  -2.603
  563   1HBC  HEC 166          HT4       HEC  66   5.596   1.822  -0.471
  564   2HBC  HEC 166          HT4       HEC  66   4.118   2.006  -1.435
  565   3HBC  HEC 166          HT4       HEC  66   4.307   0.621  -0.335
  566   1HMD  HEC 166          HM5       HEC  66   1.737   0.766  -4.832
  567   2HMD  HEC 166          HM5       HEC  66   0.723   1.477  -6.088
  568   3HMD  HEC 166          HM5       HEC  66   1.280  -0.179  -6.271
  569   1HAD  HEC 166          HP6       HEC  66   0.698   2.215  -8.560
  570   2HAD  HEC 166          HP6       HEC  66   1.009   0.496  -8.506
  571   1HBD  HEC 166          HP6       HEC  66   0.623   0.737 -10.672
  572   2HBD  HEC 166          HP6       HEC  66   2.365   0.750 -10.645
  Start of MODEL    4
    1   1H    ALA   1          H1        ALA   1  -9.604  -5.968  -3.611
    2   2H    ALA   1          H2        ALA   1 -10.845  -5.193  -2.894
    3   3H    ALA   1          H3        ALA   1  -9.379  -5.201  -2.167
    4    HA   ALA   1           HA       ALA   1 -10.946  -6.672  -1.087
    5   1HB   ALA   1          HB1       ALA   1 -11.722  -8.683  -2.282
    6   2HB   ALA   1          HB2       ALA   1 -12.220  -7.219  -3.143
    7   3HB   ALA   1          HB3       ALA   1 -10.847  -8.173  -3.742
    8    H    ASP   2           H        ASP   2 -10.349  -9.073  -0.546
    9    HA   ASP   2           HA       ASP   2  -7.892  -9.460   0.579
   10   1HB   ASP   2          HB2       ASP   2 -10.180 -10.726   0.585
   11   2HB   ASP   2          HB3       ASP   2  -9.550 -11.627  -0.798
   12    H    VAL   3           H        VAL   3  -6.063  -8.982  -0.380
   13    HA   VAL   3           HA       VAL   3  -4.219  -8.927  -1.594
   14    HB   VAL   3           HB       VAL   3  -5.099 -11.702  -2.338
   15   1HG1  VAL   3          HG1       VAL   3  -2.652 -12.123  -2.714
   16   2HG1  VAL   3          HG1       VAL   3  -3.296 -10.967  -3.884
   17   3HG1  VAL   3          HG1       VAL   3  -2.338 -10.391  -2.501
   18   1HG2  VAL   3          HG2       VAL   3  -3.557 -12.375  -0.507
   19   2HG2  VAL   3          HG2       VAL   3  -3.292 -10.667  -0.113
   20   3HG2  VAL   3          HG2       VAL   3  -4.901 -11.398   0.086
   21    H    VAL   4           H        VAL   4  -3.828  -7.556  -3.206
   22    HA   VAL   4           HA       VAL   4  -4.954  -8.133  -5.919
   23    HB   VAL   4           HB       VAL   4  -4.809  -5.340  -4.748
   24   1HG1  VAL   4          HG1       VAL   4  -6.242  -4.770  -6.677
   25   2HG1  VAL   4          HG1       VAL   4  -4.764  -5.538  -7.260
   26   3HG1  VAL   4          HG1       VAL   4  -6.270  -6.469  -7.185
   27   1HG2  VAL   4          HG2       VAL   4  -6.472  -6.416  -3.438
   28   2HG2  VAL   4          HG2       VAL   4  -7.302  -5.413  -4.631
   29   3HG2  VAL   4          HG2       VAL   4  -7.221  -7.176  -4.867
   30    H    THR   5           H        THR   5  -3.557  -7.681  -7.629
   31    HA   THR   5           HA       THR   5  -0.786  -6.777  -6.935
   32    HB   THR   5           HB       THR   5  -1.782  -9.280  -8.289
   33    HG1  THR   5           HG1      THR   5   0.508  -8.956  -6.680
   34   1HG2  THR   5          HG2       THR   5   0.578  -9.701  -9.019
   35   2HG2  THR   5          HG2       THR   5  -0.280  -8.470  -9.950
   36   3HG2  THR   5          HG2       THR   5   0.913  -7.980  -8.715
   37    H    TYR   6           H        TYR   6   0.186  -5.435  -8.259
   38    HA   TYR   6           HA       TYR   6  -1.387  -4.278 -10.541
   39   1HB   TYR   6          HB2       TYR   6   0.348  -2.960  -8.418
   40   2HB   TYR   6          HB3       TYR   6  -0.129  -2.158  -9.860
   41    HD1  TYR   6           HD1      TYR   6  -2.207  -0.930  -9.728
   42    HD2  TYR   6           HD2      TYR   6  -1.557  -4.253  -7.072
   43    HE1  TYR   6           HE1      TYR   6  -4.333  -0.397  -8.530
   44    HE2  TYR   6           HE2      TYR   6  -3.673  -3.710  -5.888
   45    HH   TYR   6           HH       TYR   6  -5.781  -1.005  -6.838
   46    H    GLU   7           H        GLU   7  -0.383  -5.581 -12.146
   47    HA   GLU   7           HA       GLU   7   2.483  -5.670 -12.378
   48   1HB   GLU   7          HB2       GLU   7   0.428  -6.672 -14.357
   49   2HB   GLU   7          HB3       GLU   7   2.072  -7.253 -14.066
   50   1HG   GLU   7          HG2       GLU   7   1.030  -8.817 -12.728
   51   2HG   GLU   7          HG3       GLU   7   0.939  -7.509 -11.521
   52    H    ASN   8           H        ASN   8   2.852  -3.414 -12.476
   53    HA   ASN   8           HA       ASN   8   1.896  -1.750 -14.601
   54   1HB   ASN   8          HB2       ASN   8   3.610  -0.129 -13.656
   55   2HB   ASN   8          HB3       ASN   8   2.368  -0.716 -12.551
   56   1HD2  ASN   8          HD2       ASN   8   2.950  -2.279 -10.831
   57   2HD2  ASN   8          HD2       ASN   8   4.651  -2.520 -10.467
   58    H    ALA   9           H        ALA   9   5.332  -2.335 -14.006
   59    HA   ALA   9           HA       ALA   9   6.070  -3.150 -16.684
   60   1HB   ALA   9          HB1       ALA   9   7.203  -0.983 -17.247
   61   2HB   ALA   9          HB2       ALA   9   5.438  -0.828 -17.203
   62   3HB   ALA   9          HB3       ALA   9   6.407  -0.242 -15.836
   63    H    ALA  10           H        ALA  10   7.055  -1.473 -13.653
   64    HA   ALA  10           HA       ALA  10   9.882  -2.215 -13.985
   65   1HB   ALA  10          HB1       ALA  10   9.219  -0.085 -12.997
   66   2HB   ALA  10          HB2       ALA  10   8.358  -0.919 -11.684
   67   3HB   ALA  10          HB3       ALA  10  10.126  -1.057 -11.822
   68    H    GLY  11           H        GLY  11   7.113  -3.284 -12.131
   69   1HA   GLY  11          HA2       GLY  11   7.850  -5.962 -11.517
   70   2HA   GLY  11          HA3       GLY  11   8.459  -4.937 -10.229
   71    H    ASN  12           H        ASN  12   5.949  -6.869 -10.544
   72    HA   ASN  12           HA       ASN  12   3.790  -4.941  -9.944
   73   1HB   ASN  12          HB2       ASN  12   2.317  -6.644  -9.766
   74   2HB   ASN  12          HB3       ASN  12   3.351  -7.115 -11.121
   75   1HD2  ASN  12          HD2       ASN  12   4.439  -9.065 -11.103
   76   2HD2  ASN  12          HD2       ASN  12   4.440 -10.107  -9.690
   77    H    VAL  13           H        VAL  13   2.755  -4.836  -7.884
   78    HA   VAL  13           HA       VAL  13   4.829  -4.880  -5.781
   79    HB   VAL  13           HB       VAL  13   4.125  -2.749  -6.364
   80   1HG1  VAL  13          HG1       VAL  13   2.139  -2.790  -7.391
   81   2HG1  VAL  13          HG1       VAL  13   1.325  -3.836  -6.187
   82   3HG1  VAL  13          HG1       VAL  13   1.642  -2.131  -5.824
   83   1HG2  VAL  13          HG2       VAL  13   2.656  -3.366  -3.788
   84   2HG2  VAL  13          HG2       VAL  13   4.425  -3.348  -3.898
   85   3HG2  VAL  13          HG2       VAL  13   3.505  -1.874  -4.266
   86    H    THR  14           H        THR  14   1.701  -6.373  -6.281
   87    HA   THR  14           HA       THR  14   0.219  -7.389  -4.877
   88    HB   THR  14           HB       THR  14   2.832  -8.318  -3.709
   89    HG1  THR  14           HG1      THR  14   0.817  -9.741  -5.055
   90   1HG2  THR  14          HG2       THR  14  -0.009  -9.215  -2.998
   91   2HG2  THR  14          HG2       THR  14   1.444 -10.203  -2.743
   92   3HG2  THR  14          HG2       THR  14   1.269  -8.682  -1.885
   93    H    PHE  15           H        PHE  15  -0.897  -5.667  -4.236
   94    HA   PHE  15           HA       PHE  15  -0.570  -4.429  -1.565
   95   1HB   PHE  15          HB2       PHE  15  -2.841  -4.653  -3.566
   96   2HB   PHE  15          HB3       PHE  15  -3.087  -4.092  -1.927
   97    HD1  PHE  15           HD1      PHE  15  -3.618  -1.895  -1.963
   98    HD2  PHE  15           HD2      PHE  15  -0.481  -3.305  -4.560
   99    HE1  PHE  15           HE1      PHE  15  -4.068  -0.080  -3.519
  100    HE2  PHE  15           HE2      PHE  15  -0.793  -1.331  -5.992
  101    HZ   PHE  15           HZ       PHE  15  -2.760   0.104  -5.620
  102    H    ASP  16           H        ASP  16  -0.470  -5.980   0.071
  103    HA   ASP  16           HA       ASP  16  -2.288  -8.328  -0.035
  104   1HB   ASP  16          HB2       ASP  16  -0.051  -7.488   1.853
  105   2HB   ASP  16          HB3       ASP  16  -1.188  -8.830   2.141
  106    H    HIS  17           HN       HIS  17  -4.037  -6.834  -0.230
  107    HA   HIS  17           HA       HIS  17  -5.180  -5.119   1.623
  108   1HB   HIS  17          HB2       HIS  17  -6.059  -6.848  -0.510
  109   2HB   HIS  17          HB3       HIS  17  -7.162  -7.118   0.835
  110    HD1  HIS  17           HND      HIS  17  -6.481  -4.736  -1.921
  111    HD2  HIS  17           HD       HIS  17  -8.264  -4.743   1.859
  112    HE1  HIS  17           HE       HIS  17  -7.716  -2.546  -1.740
  113    H    LYS  18           H        LYS  18  -5.292  -8.649   1.653
  114    HA   LYS  18           HA       LYS  18  -6.513  -9.071   4.149
  115   1HB   LYS  18          HB2       LYS  18  -6.221 -10.640   2.198
  116   2HB   LYS  18          HB3       LYS  18  -4.539 -10.860   2.628
  117   1HG   LYS  18          HG2       LYS  18  -5.829 -12.686   3.441
  118   2HG   LYS  18          HG3       LYS  18  -5.266 -11.798   4.872
  119   1HD   LYS  18          HD2       LYS  18  -7.433 -10.874   5.292
  120   2HD   LYS  18          HD3       LYS  18  -7.929 -11.121   3.615
  121   1HE   LYS  18          HE2       LYS  18  -7.650 -13.697   4.188
  122   2HE   LYS  18          HE3       LYS  18  -7.797 -13.140   5.868
  123   1HZ   LYS  18          HZ1       LYS  18  -9.935 -13.698   4.853
  124   2HZ   LYS  18          HZ2       LYS  18  -9.881 -12.069   5.151
  125   3HZ   LYS  18          HZ3       LYS  18  -9.633 -12.648   3.616
  126    H    ALA  19           H        ALA  19  -3.053  -9.678   3.379
  127    HA   ALA  19           HA       ALA  19  -2.378 -10.237   6.051
  128   1HB   ALA  19          HB1       ALA  19  -0.974 -10.699   3.925
  129   2HB   ALA  19          HB2       ALA  19  -0.359  -9.032   4.135
  130   3HB   ALA  19          HB3       ALA  19  -0.098 -10.234   5.399
  131    H    HIS  20           HN       HIS  20  -2.273  -7.072   4.389
  132    HA   HIS  20           HA       HIS  20  -1.264  -5.607   6.666
  133   1HB   HIS  20          HB2       HIS  20  -3.016  -4.834   4.325
  134   2HB   HIS  20          HB3       HIS  20  -2.551  -3.717   5.606
  135    HD1  HIS  20           HND      HIS  20  -1.039  -5.592   2.688
  136    HD2  HIS  20           HD       HIS  20  -0.141  -2.600   5.494
  137    HE1  HIS  20           HE       HIS  20   1.090  -4.393   1.855
  138    H    ALA  21           H        ALA  21  -4.689  -6.175   5.506
  139    HA   ALA  21           HA       ALA  21  -6.010  -4.859   7.576
  140   1HB   ALA  21          HB1       ALA  21  -6.875  -7.375   6.091
  141   2HB   ALA  21          HB2       ALA  21  -7.899  -6.299   7.051
  142   3HB   ALA  21          HB3       ALA  21  -7.118  -5.696   5.568
  143    H    GLU  22           H        GLU  22  -4.981  -8.305   7.549
  144    HA   GLU  22           HA       GLU  22  -6.072  -9.145   9.956
  145   1HB   GLU  22          HB2       GLU  22  -3.393  -9.844   8.682
  146   2HB   GLU  22          HB3       GLU  22  -4.135 -10.764   9.988
  147   1HG   GLU  22          HG2       GLU  22  -5.279 -10.444   7.183
  148   2HG   GLU  22          HG3       GLU  22  -4.551 -11.882   7.881
  149    H    LYS  23           H        LYS  23  -3.321  -6.964   9.532
  150    HA   LYS  23           HA       LYS  23  -2.745  -6.929  12.459
  151   1HB   LYS  23          HB2       LYS  23  -1.201  -6.163   9.957
  152   2HB   LYS  23          HB3       LYS  23  -0.654  -5.817  11.601
  153   1HG   LYS  23          HG2       LYS  23  -0.526  -8.163  12.166
  154   2HG   LYS  23          HG3       LYS  23  -1.421  -8.633  10.723
  155   1HD   LYS  23          HD2       LYS  23   0.854  -9.199  10.376
  156   2HD   LYS  23          HD3       LYS  23   0.400  -7.903   9.259
  157   1HE   LYS  23          HE2       LYS  23   1.574  -6.240  10.632
  158   2HE   LYS  23          HE3       LYS  23   1.866  -7.431  11.910
  159   1HZ   LYS  23          HZ1       LYS  23   3.820  -7.096  10.458
  160   2HZ   LYS  23          HZ2       LYS  23   3.300  -8.641  10.402
  161   3HZ   LYS  23          HZ3       LYS  23   2.989  -7.591   9.178
  162    H    LEU  24           H        LEU  24  -3.768  -4.913   9.753
  163    HA   LEU  24           HA       LEU  24  -3.628  -2.392  11.330
  164   1HB   LEU  24          HB2       LEU  24  -4.065  -2.902   8.367
  165   2HB   LEU  24          HB3       LEU  24  -3.831  -1.355   9.173
  166    HG   LEU  24           HG       LEU  24  -1.739  -3.495   8.790
  167   1HD1  LEU  24          HD1       LEU  24  -2.268  -1.922   6.900
  168   2HD1  LEU  24          HD1       LEU  24  -1.942  -0.559   7.974
  169   3HD1  LEU  24          HD1       LEU  24  -0.633  -1.678   7.554
  170   1HD2  LEU  24          HD2       LEU  24  -1.609  -0.940  10.457
  171   2HD2  LEU  24          HD2       LEU  24  -1.361  -2.606  11.038
  172   3HD2  LEU  24          HD2       LEU  24  -0.195  -1.875   9.930
  173    H    GLY  25           H        GLY  25  -6.077  -4.632  10.377
  174   1HA   GLY  25          HA2       GLY  25  -8.283  -4.633  10.854
  175   2HA   GLY  25          HA3       GLY  25  -7.981  -3.246  11.896
  176    H    CYS  26           HN       CYS  26  -7.610  -3.258   8.402
  177    HA   CYS  26           HA       CYS  26  -8.527  -2.137   6.664
  178   1HB   CYS  26          HB2       CYS  26 -11.058  -1.991   8.254
  179   2HB   CYS  26          HB3       CYS  26 -10.890  -1.795   6.505
  180    H    ASP  27           H        ASP  27  -9.711  -0.600   9.653
  181    HA   ASP  27           HA       ASP  27 -10.339   1.915   8.909
  182   1HB   ASP  27          HB2       ASP  27 -10.675   0.924  11.117
  183   2HB   ASP  27          HB3       ASP  27  -8.931   0.992  11.441
  184    H    ALA  28           H        ALA  28  -7.134   0.714   9.726
  185    HA   ALA  28           HA       ALA  28  -5.436   2.872   9.627
  186   1HB   ALA  28          HB1       ALA  28  -5.175   0.135   8.359
  187   2HB   ALA  28          HB2       ALA  28  -3.790   1.201   8.738
  188   3HB   ALA  28          HB3       ALA  28  -4.798   0.554  10.053
  189    H    CYS  29           HN       CYS  29  -7.103   1.484   6.809
  190    HA   CYS  29           HA       CYS  29  -5.703   3.418   4.967
  191   1HB   CYS  29          HB2       CYS  29  -6.897   0.686   4.458
  192   2HB   CYS  29          HB3       CYS  29  -6.239   1.796   3.248
  193    H    HIS  30           HN       HIS  30  -8.563   3.108   6.615
  194    HA   HIS  30           HA       HIS  30 -10.319   4.178   4.487
  195   1HB   HIS  30          HB2       HIS  30 -10.460   1.387   5.712
  196   2HB   HIS  30          HB3       HIS  30 -11.829   2.123   4.915
  197    HD1  HIS  30           HND      HIS  30 -10.508   3.102   2.249
  198    HD2  HIS  30           HD       HIS  30  -9.763  -0.513   4.165
  199    HE1  HIS  30           HE       HIS  30 -10.005   1.382   0.386
  200    H    GLU  31           H        GLU  31 -10.858   5.931   5.729
  201    HA   GLU  31           HA       GLU  31 -11.308   5.848   8.436
  202   1HB   GLU  31          HB2       GLU  31 -12.351   7.793   6.337
  203   2HB   GLU  31          HB3       GLU  31 -12.397   8.089   8.080
  204   1HG   GLU  31          HG2       GLU  31  -9.937   7.922   8.214
  205   2HG   GLU  31          HG3       GLU  31  -9.835   7.632   6.470
  206    H    GLY  32           H        GLY  32 -12.625   3.967   8.764
  207   1HA   GLY  32          HA2       GLY  32 -14.593   3.078   9.631
  208   2HA   GLY  32          HA3       GLY  32 -15.467   4.562   9.228
  209    H    THR  33           H        THR  33 -15.558   4.890   6.696
  210    HA   THR  33           HA       THR  33 -16.937   2.509   5.608
  211    HB   THR  33           HB       THR  33 -16.832   5.369   4.624
  212    HG1  THR  33           HG1      THR  33 -19.053   5.170   5.361
  213   1HG2  THR  33          HG2       THR  33 -18.497   2.974   3.697
  214   2HG2  THR  33          HG2       THR  33 -18.758   4.656   3.199
  215   3HG2  THR  33          HG2       THR  33 -17.276   3.823   2.724
  216    HA   PRO  34           HA       PRO  34 -13.160   2.012   3.039
  217   1HB   PRO  34          HB2       PRO  34 -13.532  -0.503   2.182
  218   2HB   PRO  34          HB3       PRO  34 -13.083  -0.185   3.886
  219   1HG   PRO  34          HG2       PRO  34 -15.879  -0.634   2.763
  220   2HG   PRO  34          HG3       PRO  34 -15.127  -1.474   4.153
  221   1HD   PRO  34          HD2       PRO  34 -16.766   0.661   4.452
  222   2HD   PRO  34          HD3       PRO  34 -15.345   0.440   5.522
  223    H    ALA  35           H        ALA  35 -12.797   1.900   0.758
  224    HA   ALA  35           HA       ALA  35 -14.908   1.575  -1.168
  225   1HB   ALA  35          HB1       ALA  35 -14.978   3.952  -1.925
  226   2HB   ALA  35          HB2       ALA  35 -15.589   3.800  -0.273
  227   3HB   ALA  35          HB3       ALA  35 -13.947   4.413  -0.555
  228    H    LYS  36           H        LYS  36 -14.043   2.412  -3.388
  229    HA   LYS  36           HA       LYS  36 -11.259   1.609  -3.681
  230   1HB   LYS  36          HB2       LYS  36 -11.527   1.891  -6.026
  231   2HB   LYS  36          HB3       LYS  36 -12.876   0.957  -5.370
  232   1HG   LYS  36          HG2       LYS  36 -14.324   2.985  -5.460
  233   2HG   LYS  36          HG3       LYS  36 -12.951   3.922  -6.093
  234   1HD   LYS  36          HD2       LYS  36 -12.822   2.382  -8.065
  235   2HD   LYS  36          HD3       LYS  36 -14.143   1.425  -7.399
  236   1HE   LYS  36          HE2       LYS  36 -15.032   2.853  -9.137
  237   2HE   LYS  36          HE3       LYS  36 -15.690   3.359  -7.576
  238   1HZ   LYS  36          HZ1       LYS  36 -14.962   5.231  -8.925
  239   2HZ   LYS  36          HZ2       LYS  36 -14.072   5.146  -7.547
  240   3HZ   LYS  36          HZ3       LYS  36 -13.424   4.649  -8.975
  241    H    ILE  37           H        ILE  37  -9.543   2.940  -4.435
  242    HA   ILE  37           HA       ILE  37  -9.771   5.878  -4.063
  243    HB   ILE  37           HB       ILE  37  -7.827   4.034  -2.594
  244   1HG1  ILE  37          HG1       ILE  37  -9.981   5.863  -1.440
  245   2HG1  ILE  37          HG1       ILE  37 -10.110   4.104  -1.568
  246   1HG2  ILE  37          HG2       ILE  37  -6.746   6.147  -3.345
  247   2HG2  ILE  37          HG2       ILE  37  -8.041   7.079  -2.565
  248   3HG2  ILE  37          HG2       ILE  37  -6.911   6.106  -1.602
  249   1HD1  ILE  37          HD1       ILE  37  -8.109   3.833  -0.124
  250   2HD1  ILE  37          HD1       ILE  37  -8.125   5.590   0.171
  251   3HD1  ILE  37          HD1       ILE  37  -9.498   4.600   0.667
  252    H    ALA  38           H        ALA  38  -8.537   6.876  -5.707
  253    HA   ALA  38           HA       ALA  38  -7.398   5.153  -7.695
  254   1HB   ALA  38          HB1       ALA  38  -8.390   7.283  -8.288
  255   2HB   ALA  38          HB2       ALA  38  -7.089   8.149  -7.419
  256   3HB   ALA  38          HB3       ALA  38  -6.700   7.124  -8.826
  257    H    ILE  39           H        ILE  39  -5.732   3.976  -7.319
  258    HA   ILE  39           HA       ILE  39  -3.266   5.036  -6.057
  259    HB   ILE  39           HB       ILE  39  -4.079   2.257  -6.879
  260   1HG1  ILE  39          HG1       ILE  39  -5.286   3.057  -4.917
  261   2HG1  ILE  39          HG1       ILE  39  -4.115   1.833  -4.540
  262   1HG2  ILE  39          HG2       ILE  39  -1.868   1.881  -7.024
  263   2HG2  ILE  39          HG2       ILE  39  -1.436   3.431  -6.312
  264   3HG2  ILE  39          HG2       ILE  39  -1.806   2.073  -5.257
  265   1HD1  ILE  39          HD1       ILE  39  -4.058   3.524  -2.791
  266   2HD1  ILE  39          HD1       ILE  39  -2.542   3.632  -3.682
  267   3HD1  ILE  39          HD1       ILE  39  -3.836   4.819  -3.960
  268    H    ASP  40           H        ASP  40  -2.060   6.149  -7.304
  269    HA   ASP  40           HA       ASP  40  -1.047   4.965  -9.840
  270   1HB   ASP  40          HB2       ASP  40  -1.684   7.916  -9.343
  271   2HB   ASP  40          HB3       ASP  40  -1.124   7.199 -10.866
  272    H    LYS  41           H        LYS  41   1.144   5.649 -10.216
  273    HA   LYS  41           HA       LYS  41   3.001   6.455  -8.480
  274   1HB   LYS  41          HB2       LYS  41   4.177   7.612 -10.250
  275   2HB   LYS  41          HB3       LYS  41   3.449   6.100 -10.802
  276   1HG   LYS  41          HG2       LYS  41   1.943   7.161 -12.239
  277   2HG   LYS  41          HG3       LYS  41   1.753   8.539 -11.186
  278   1HD   LYS  41          HD2       LYS  41   2.854   9.561 -12.891
  279   2HD   LYS  41          HD3       LYS  41   4.195   9.205 -11.818
  280   1HE   LYS  41          HE2       LYS  41   3.356   7.821 -14.405
  281   2HE   LYS  41          HE3       LYS  41   4.891   8.624 -14.047
  282   1HZ   LYS  41          HZ1       LYS  41   3.939   6.086 -12.863
  283   2HZ   LYS  41          HZ2       LYS  41   5.062   6.191 -14.000
  284   3HZ   LYS  41          HZ3       LYS  41   5.376   6.804 -12.507
  285    H    LYS  42           H        LYS  42   0.293   8.519  -9.197
  286    HA   LYS  42           HA       LYS  42   1.520  11.015  -8.291
  287   1HB   LYS  42          HB2       LYS  42  -0.032  11.016 -10.181
  288   2HB   LYS  42          HB3       LYS  42  -1.275  10.211  -9.215
  289   1HG   LYS  42          HG2       LYS  42  -1.471  12.174  -7.750
  290   2HG   LYS  42          HG3       LYS  42  -0.241  13.031  -8.680
  291   1HD   LYS  42          HD2       LYS  42  -2.877  11.896  -9.773
  292   2HD   LYS  42          HD3       LYS  42  -2.743  13.538  -9.165
  293   1HE   LYS  42          HE2       LYS  42  -1.171  12.425 -11.550
  294   2HE   LYS  42          HE3       LYS  42  -2.663  13.355 -11.657
  295   1HZ   LYS  42          HZ1       LYS  42  -1.554  15.192 -10.576
  296   2HZ   LYS  42          HZ2       LYS  42  -0.144  14.346 -10.492
  297   3HZ   LYS  42          HZ3       LYS  42  -0.765  14.769 -11.954
  298    H    SER  43           H        SER  43  -0.235   8.339  -6.902
  299    HA   SER  43           HA       SER  43  -0.762   9.910  -4.427
  300   1HB   SER  43          HB2       SER  43  -2.591   8.234  -4.046
  301   2HB   SER  43          HB3       SER  43  -2.818   9.284  -5.454
  302    HG   SER  43           HG       SER  43  -3.262   7.191  -6.059
  303    H    ALA  44           H        ALA  44  -0.226   6.570  -5.505
  304    HA   ALA  44           HA       ALA  44   0.581   5.585  -2.916
  305   1HB   ALA  44          HB1       ALA  44   1.141   3.518  -4.149
  306   2HB   ALA  44          HB2       ALA  44  -0.465   4.164  -4.512
  307   3HB   ALA  44          HB3       ALA  44   0.863   4.376  -5.685
  308    H    HIS  45           HN       HIS  45   2.368   7.160  -5.401
  309    HA   HIS  45           HA       HIS  45   4.958   6.605  -3.978
  310   1HB   HIS  45          HB2       HIS  45   4.150   7.110  -6.804
  311   2HB   HIS  45          HB3       HIS  45   5.536   8.031  -6.301
  312    HD1  HIS  45           HND      HIS  45   7.543   6.944  -7.230
  313    HD2  HIS  45           HD       HIS  45   4.670   4.204  -5.838
  314    HE1  HIS  45           HE       HIS  45   8.448   4.627  -7.738
  315    H    LYS  46           H        LYS  46   2.508   8.776  -3.697
  316    HA   LYS  46           HA       LYS  46   4.325  11.139  -3.398
  317   1HB   LYS  46          HB2       LYS  46   2.262  11.307  -4.771
  318   2HB   LYS  46          HB3       LYS  46   1.285  11.062  -3.327
  319   1HG   LYS  46          HG2       LYS  46   2.482  13.038  -2.262
  320   2HG   LYS  46          HG3       LYS  46   3.306  13.302  -3.814
  321   1HD   LYS  46          HD2       LYS  46   1.070  13.555  -4.914
  322   2HD   LYS  46          HD3       LYS  46   0.291  13.323  -3.336
  323   1HE   LYS  46          HE2       LYS  46   1.602  15.314  -2.457
  324   2HE   LYS  46          HE3       LYS  46   2.233  15.573  -4.091
  325   1HZ   LYS  46          HZ1       LYS  46  -0.055  15.886  -4.829
  326   2HZ   LYS  46          HZ2       LYS  46  -0.611  15.670  -3.296
  327   3HZ   LYS  46          HZ3       LYS  46   0.332  16.968  -3.651
  328    H    ASP  47           H        ASP  47   1.568   9.643  -1.797
  329    HA   ASP  47           HA       ASP  47   2.773  10.072   0.921
  330   1HB   ASP  47          HB2       ASP  47   1.411  12.028   0.509
  331   2HB   ASP  47          HB3       ASP  47   0.055  11.041  -0.071
  332    H    ALA  48           H        ALA  48  -0.215   8.787  -0.624
  333    HA   ALA  48           HA       ALA  48  -0.924   6.941   1.292
  334   1HB   ALA  48          HB1       ALA  48  -2.090   5.729  -0.531
  335   2HB   ALA  48          HB2       ALA  48  -2.311   7.486  -0.643
  336   3HB   ALA  48          HB3       ALA  48  -1.175   6.664  -1.731
  337    H    CYS  49           HN       CYS  49  -0.331   4.933   1.912
  338    HA   CYS  49           HA       CYS  49   0.922   3.091   2.286
  339   1HB   CYS  49          HB2       CYS  49   1.882   3.268  -0.587
  340   2HB   CYS  49          HB3       CYS  49   2.021   1.918   0.530
  341    H    LYS  50           H        LYS  50   3.004   5.199   0.307
  342    HA   LYS  50           HA       LYS  50   5.475   4.670   1.463
  343   1HB   LYS  50          HB2       LYS  50   4.330   7.323   0.508
  344   2HB   LYS  50          HB3       LYS  50   5.992   7.030   1.040
  345   1HG   LYS  50          HG2       LYS  50   6.010   5.181  -0.835
  346   2HG   LYS  50          HG3       LYS  50   4.680   6.157  -1.470
  347   1HD   LYS  50          HD2       LYS  50   7.557   7.031  -0.898
  348   2HD   LYS  50          HD3       LYS  50   6.703   7.050  -2.449
  349   1HE   LYS  50          HE2       LYS  50   5.051   8.658  -1.321
  350   2HE   LYS  50          HE3       LYS  50   6.213   8.879  -0.011
  351   1HZ   LYS  50          HZ1       LYS  50   7.804   9.687  -1.657
  352   2HZ   LYS  50          HZ2       LYS  50   6.638   9.550  -2.823
  353   3HZ   LYS  50          HZ3       LYS  50   6.405  10.580  -1.572
  354    H    THR  51           H        THR  51   3.277   7.348   2.589
  355    HA   THR  51           HA       THR  51   5.001   8.208   4.616
  356    HB   THR  51           HB       THR  51   1.993   8.495   4.315
  357    HG1  THR  51           HG1      THR  51   2.609  10.381   3.365
  358   1HG2  THR  51          HG2       THR  51   3.937  10.033   6.110
  359   2HG2  THR  51          HG2       THR  51   2.261  10.504   5.759
  360   3HG2  THR  51          HG2       THR  51   2.584   9.025   6.679
  361    H    CYS  52           HN       CYS  52   2.450   5.756   4.859
  362    HA   CYS  52           HA       CYS  52   2.775   5.196   7.685
  363   1HB   CYS  52          HB2       CYS  52   0.820   4.483   6.404
  364   2HB   CYS  52          HB3       CYS  52   1.841   3.389   5.443
  365    H    HIS  53           HN       HIS  53   4.071   3.580   4.732
  366    HA   HIS  53           HA       HIS  53   5.834   1.804   6.031
  367   1HB   HIS  53          HB2       HIS  53   5.676   3.082   3.303
  368   2HB   HIS  53          HB3       HIS  53   7.133   2.215   3.745
  369    HD1  HIS  53           HND      HIS  53   7.173  -0.271   3.572
  370    HD2  HIS  53           HD       HIS  53   3.312   1.316   3.765
  371    HE1  HIS  53           HE       HIS  53   5.575  -2.249   3.405
  372    H    LYS  54           H        LYS  54   6.379   5.236   5.320
  373    HA   LYS  54           HA       LYS  54   9.174   5.396   6.109
  374   1HB   LYS  54          HB2       LYS  54   7.015   7.486   6.009
  375   2HB   LYS  54          HB3       LYS  54   8.723   7.711   6.403
  376   1HG   LYS  54          HG2       LYS  54   9.193   6.404   4.207
  377   2HG   LYS  54          HG3       LYS  54   7.561   6.922   3.759
  378   1HD   LYS  54          HD2       LYS  54   8.242   9.276   4.429
  379   2HD   LYS  54          HD3       LYS  54   9.857   8.641   4.795
  380   1HE   LYS  54          HE2       LYS  54   8.549   8.574   2.024
  381   2HE   LYS  54          HE3       LYS  54   9.655   9.847   2.561
  382   1HZ   LYS  54          HZ1       LYS  54  10.851   8.162   1.345
  383   2HZ   LYS  54          HZ2       LYS  54  11.345   8.167   2.911
  384   3HZ   LYS  54          HZ3       LYS  54  10.340   6.984   2.375
  385    H    SER  55           H        SER  55   6.065   6.053   7.822
  386    HA   SER  55           HA       SER  55   7.456   6.578  10.350
  387   1HB   SER  55          HB2       SER  55   4.482   6.257   9.818
  388   2HB   SER  55          HB3       SER  55   5.257   7.026  11.217
  389    HG   SER  55           HG       SER  55   5.318   7.889   8.497
  390    H    ASN  56           H        ASN  56   8.205   4.055   9.497
  391    HA   ASN  56           HA       ASN  56   7.602   2.303  11.643
  392   1HB   ASN  56          HB2       ASN  56   5.827   2.162   9.316
  393   2HB   ASN  56          HB3       ASN  56   6.847   0.730   9.319
  394   1HD2  ASN  56          HD2       ASN  56   5.121   2.745  11.767
  395   2HD2  ASN  56          HD2       ASN  56   4.437   1.358  12.604
  396    H    ASN  57           H        ASN  57   8.920   0.367  11.477
  397    HA   ASN  57           HA       ASN  57  11.465   0.881  10.126
  398   1HB   ASN  57          HB2       ASN  57  10.557  -1.495  11.794
  399   2HB   ASN  57          HB3       ASN  57  12.216  -1.137  11.292
  400   1HD2  ASN  57          HD2       ASN  57   9.933  -0.666  13.798
  401   2HD2  ASN  57          HD2       ASN  57  10.799   0.645  14.594
  402    H    GLY  58           H        GLY  58   9.996   0.835   8.012
  403   1HA   GLY  58          HA2       GLY  58   9.370  -1.790   6.937
  404   2HA   GLY  58          HA3       GLY  58   9.311  -0.238   6.088
  405    HA   PRO  59           HA       PRO  59  12.927  -3.034   4.625
  406   1HB   PRO  59          HB2       PRO  59  12.097  -3.347   2.011
  407   2HB   PRO  59          HB3       PRO  59  11.618  -4.433   3.346
  408   1HG   PRO  59          HG2       PRO  59  10.047  -2.064   2.282
  409   2HG   PRO  59          HG3       PRO  59   9.481  -3.743   2.525
  410   1HD   PRO  59          HD2       PRO  59   8.999  -1.915   4.417
  411   2HD   PRO  59          HD3       PRO  59   9.599  -3.525   4.908
  412    H    THR  60           H        THR  60  11.225  -0.238   3.275
  413    HA   THR  60           HA       THR  60  11.942   1.713   2.384
  414    HB   THR  60           HB       THR  60  14.485   1.216   3.986
  415    HG1  THR  60           HG1      THR  60  12.783   0.784   5.349
  416   1HG2  THR  60          HG2       THR  60  12.860   3.739   3.386
  417   2HG2  THR  60          HG2       THR  60  14.237   3.638   4.496
  418   3HG2  THR  60          HG2       THR  60  14.493   3.401   2.766
  419    H    LYS  61           H        LYS  61  12.325  -0.408   0.596
  420    HA   LYS  61           HA       LYS  61  14.093   0.998  -1.262
  421   1HB   LYS  61          HB2       LYS  61  14.502  -1.954  -0.566
  422   2HB   LYS  61          HB3       LYS  61  15.041  -1.215  -2.079
  423   1HG   LYS  61          HG2       LYS  61  16.318   0.493  -0.659
  424   2HG   LYS  61          HG3       LYS  61  16.019  -0.580   0.721
  425   1HD   LYS  61          HD2       LYS  61  17.140  -2.440  -0.443
  426   2HD   LYS  61          HD3       LYS  61  17.335  -1.444  -1.904
  427   1HE   LYS  61          HE2       LYS  61  18.732   0.177  -0.608
  428   2HE   LYS  61          HE3       LYS  61  18.592  -0.858   0.822
  429   1HZ   LYS  61          HZ1       LYS  61  20.644  -1.245  -0.380
  430   2HZ   LYS  61          HZ2       LYS  61  19.714  -2.599  -0.419
  431   3HZ   LYS  61          HZ3       LYS  61  19.828  -1.637  -1.749
  432    H    CYS  62           HN       CYS  62  13.623   0.498  -3.455
  433    HA   CYS  62           HA       CYS  62  10.986   0.189  -4.248
  434   1HB   CYS  62          HB2       CYS  62  13.324  -0.853  -5.861
  435   2HB   CYS  62          HB3       CYS  62  11.823  -0.138  -6.449
  436    H    GLY  63           H        GLY  63  13.451  -2.358  -4.142
  437   1HA   GLY  63          HA2       GLY  63  11.890  -4.565  -4.890
  438   2HA   GLY  63          HA3       GLY  63  13.372  -4.627  -3.932
  439    H    GLY  64           H        GLY  64  11.758  -2.830  -1.861
  440   1HA   GLY  64          HA2       GLY  64  10.733  -4.982  -0.182
  441   2HA   GLY  64          HA3       GLY  64  10.640  -3.233   0.087
  442    H    CYS  65           HN       CYS  65   9.459  -2.891  -2.708
  443    HA   CYS  65           HA       CYS  65   6.654  -3.806  -2.131
  444   1HB   CYS  65          HB2       CYS  65   7.736  -1.340  -3.490
  445   2HB   CYS  65          HB3       CYS  65   6.072  -1.899  -3.666
  446    H    HIS  66           HN       HIS  66   8.805  -2.997  -4.900
  447    HA   HIS  66           HA       HIS  66   7.075  -4.532  -6.695
  448   1HB   HIS  66          HB2       HIS  66   9.673  -3.034  -7.146
  449   2HB   HIS  66          HB3       HIS  66   8.661  -3.713  -8.389
  450    HD1  HIS  66           HND      HIS  66   6.339  -2.627  -8.857
  451    HD2  HIS  66           HD       HIS  66   8.842  -0.597  -6.197
  452    HE1  HIS  66           HE       HIS  66   5.498  -0.201  -8.776
  453    H    ILE  67           H        ILE  67   7.337  -6.646  -7.327
  454    HA   ILE  67           HA       ILE  67   9.445  -8.337  -6.436
  455    HB   ILE  67           HB       ILE  67   7.852  -8.639  -9.011
  456   1HG1  ILE  67          HG1       ILE  67   6.203  -8.441  -7.325
  457   2HG1  ILE  67          HG1       ILE  67   6.361 -10.141  -7.691
  458   1HG2  ILE  67          HG2       ILE  67   9.706 -10.190  -8.993
  459   2HG2  ILE  67          HG2       ILE  67   9.381 -10.653  -7.311
  460   3HG2  ILE  67          HG2       ILE  67   8.248 -11.093  -8.601
  461   1HD1  ILE  67          HD1       ILE  67   7.774 -10.421  -5.615
  462   2HD1  ILE  67          HD1       ILE  67   7.482  -8.706  -5.237
  463   3HD1  ILE  67          HD1       ILE  67   6.131  -9.842  -5.294
  464    H    LYS  68           H        LYS  68  11.383  -9.130  -7.423
  465    HA   LYS  68           HA       LYS  68  12.606  -7.903  -9.693
  466   1HB   LYS  68          HB2       LYS  68  14.211  -6.529  -8.517
  467   2HB   LYS  68          HB3       LYS  68  12.585  -5.983  -8.101
  468   1HG   LYS  68          HG2       LYS  68  13.185  -6.204  -5.936
  469   2HG   LYS  68          HG3       LYS  68  13.040  -7.939  -6.194
  470   1HD   LYS  68          HD2       LYS  68  15.485  -7.905  -7.002
  471   2HD   LYS  68          HD3       LYS  68  15.566  -6.246  -6.378
  472   1HE   LYS  68          HE2       LYS  68  14.878  -7.130  -4.111
  473   2HE   LYS  68          HE3       LYS  68  14.820  -8.765  -4.794
  474   1HZ   LYS  68          HZ1       LYS  68  16.908  -8.378  -3.691
  475   2HZ   LYS  68          HZ2       LYS  68  17.153  -8.584  -5.307
  476   3HZ   LYS  68          HZ3       LYS  68  17.233  -7.077  -4.650
  477    HHA  HEC 130           HCM      HEC  30 -10.376  -0.599  -3.043
  478    HHB  HEC 130           HDM      HEC  30 -13.170  -3.041   2.002
  479    HHC  HEC 130           HAM      HEC  30  -7.527  -3.498   4.692
  480    HHD  HEC 130           HBM      HEC  30  -5.572   0.716   0.588
  481   1HMA  HEC 130          HM8       HEC  30 -14.540  -3.494  -0.379
  482   2HMA  HEC 130          HM8       HEC  30 -14.845  -2.087   0.677
  483   3HMA  HEC 130          HM8       HEC  30 -15.035  -1.940  -1.068
  484   1HAA  HEC 130          HP7       HEC  30 -12.381  -0.962  -3.634
  485   2HAA  HEC 130          HP7       HEC  30 -13.931  -0.813  -2.828
  486   1HBA  HEC 130          HP7       HEC  30 -13.648  -2.677  -4.565
  487   2HBA  HEC 130          HP7       HEC  30 -14.364  -3.135  -3.022
  488   1HMB  HEC 130          HM1       HEC  30 -12.699  -4.605   5.361
  489   2HMB  HEC 130          HM1       HEC  30 -13.476  -3.306   4.469
  490   3HMB  HEC 130          HM1       HEC  30 -13.186  -4.880   3.688
  491    HAB  HEC 130           HT2      HEC  30  -8.872  -4.449   6.016
  492   1HBB  HEC 130          HT2       HEC  30 -11.154  -6.285   5.166
  493   2HBB  HEC 130          HT2       HEC  30  -9.438  -6.489   4.782
  494   3HBB  HEC 130          HT2       HEC  30 -10.013  -6.637   6.458
  495   1HMC  HEC 130          HM3       HEC  30  -4.817  -2.233   5.293
  496   2HMC  HEC 130          HM3       HEC  30  -5.258  -3.767   4.476
  497   3HMC  HEC 130          HM3       HEC  30  -3.919  -2.827   3.861
  498    HAC  HEC 130           HT4      HEC  30  -4.441   0.971   2.257
  499   1HBC  HEC 130          HT4       HEC  30  -2.910  -0.509   1.377
  500   2HBC  HEC 130          HT4       HEC  30  -2.238   0.343   2.783
  501   3HBC  HEC 130          HT4       HEC  30  -2.669  -1.359   2.936
  502   1HMD  HEC 130          HM5       HEC  30  -5.801   2.555  -1.331
  503   2HMD  HEC 130          HM5       HEC  30  -4.879   1.039  -1.478
  504   3HMD  HEC 130          HM5       HEC  30  -5.701   1.727  -2.896
  505   1HAD  HEC 130          HP6       HEC  30  -7.747   1.931  -3.887
  506   2HAD  HEC 130          HP6       HEC  30  -9.227   1.008  -4.050
  507   1HBD  HEC 130          HP6       HEC  30  -7.936  -0.992  -4.667
  508   2HBD  HEC 130          HP6       HEC  30  -6.452  -0.031  -4.578
  509    HHA  HEC 153           HCM      HEC  53   4.676  -5.392   5.197
  510    HHB  HEC 153           HDM      HEC  53   3.472  -3.245  -0.516
  511    HHC  HEC 153           HAM      HEC  53  -0.299   1.028   1.973
  512    HHD  HEC 153           HBM      HEC  53   2.032  -0.281   7.575
  513   1HMA  HEC 153          HM8       HEC  53   5.071  -4.722  -0.787
  514   2HMA  HEC 153          HM8       HEC  53   5.916  -5.944   0.134
  515   3HMA  HEC 153          HM8       HEC  53   4.216  -6.202  -0.312
  516   1HAA  HEC 153          HP7       HEC  53   5.938  -7.033   2.094
  517   2HAA  HEC 153          HP7       HEC  53   5.500  -6.926   3.779
  518   1HBA  HEC 153          HP7       HEC  53   7.036  -5.000   4.072
  519   2HBA  HEC 153          HP7       HEC  53   7.419  -5.047   2.350
  520   1HMB  HEC 153          HM1       HEC  53   2.153  -0.444  -2.446
  521   2HMB  HEC 153          HM1       HEC  53   3.063  -1.862  -2.034
  522   3HMB  HEC 153          HM1       HEC  53   1.329  -2.032  -2.385
  523    HAB  HEC 153           HT2      HEC  53  -1.145   0.107  -0.416
  524   1HBB  HEC 153          HT2       HEC  53  -0.199  -0.393  -2.629
  525   2HBB  HEC 153          HT2       HEC  53  -1.038   1.142  -2.545
  526   3HBB  HEC 153          HT2       HEC  53   0.718   1.154  -2.548
  527   1HMC  HEC 153          HM3       HEC  53  -1.202   2.474   3.202
  528   2HMC  HEC 153          HM3       HEC  53  -1.933   2.209   4.766
  529   3HMC  HEC 153          HM3       HEC  53  -0.547   3.309   4.597
  530    HAC  HEC 153           HT4      HEC  53   0.103   0.788   7.890
  531   1HBC  HEC 153          HT4       HEC  53  -1.264   2.630   8.368
  532   2HBC  HEC 153          HT4       HEC  53  -1.128   3.303   6.754
  533   3HBC  HEC 153          HT4       HEC  53  -1.971   1.757   7.008
  534   1HMD  HEC 153          HM5       HEC  53   2.367  -2.147   9.424
  535   2HMD  HEC 153          HM5       HEC  53   4.037  -2.720   9.591
  536   3HMD  HEC 153          HM5       HEC  53   3.738  -1.066   9.075
  537   1HAD  HEC 153          HP6       HEC  53   4.148  -5.826   7.366
  538   2HAD  HEC 153          HP6       HEC  53   3.681  -4.907   8.787
  539   1HBD  HEC 153          HP6       HEC  53   5.963  -3.780   8.702
  540   2HBD  HEC 153          HP6       HEC  53   6.400  -4.941   7.443
  541    HHA  HEC 166           HCM      HEC  66   3.846   2.861 -10.100
  542    HHB  HEC 166           HDM      HEC  66  10.029   2.129 -10.055
  543    HHC  HEC 166           HAM      HEC  66   9.742   2.516  -3.828
  544    HHD  HEC 166           HBM      HEC  66   3.875   0.502  -4.305
  545   1HMA  HEC 166          HM8       HEC  66   9.142   2.128 -12.477
  546   2HMA  HEC 166          HM8       HEC  66   8.145   3.491 -12.988
  547   3HMA  HEC 166          HM8       HEC  66   9.399   3.742 -11.778
  548   1HAA  HEC 166          HP7       HEC  66   6.120   4.482 -12.422
  549   2HAA  HEC 166          HP7       HEC  66   4.557   3.846 -11.920
  550   1HBA  HEC 166          HP7       HEC  66   4.708   1.965 -13.337
  551   2HBA  HEC 166          HP7       HEC  66   6.441   2.113 -13.542
  552   1HMB  HEC 166          HM1       HEC  66  11.949   3.233  -9.294
  553   2HMB  HEC 166          HM1       HEC  66  13.032   2.843  -7.969
  554   3HMB  HEC 166          HM1       HEC  66  12.397   1.539  -8.975
  555    HAB  HEC 166           HT2      HEC  66  11.796   2.450  -4.274
  556   1HBB  HEC 166          HT2       HEC  66  11.870   4.801  -4.996
  557   2HBB  HEC 166          HT2       HEC  66  13.477   4.164  -4.596
  558   3HBB  HEC 166          HT2       HEC  66  13.004   4.372  -6.288
  559   1HMC  HEC 166          HM3       HEC  66   8.722   2.582  -1.608
  560   2HMC  HEC 166          HM3       HEC  66   7.830   1.225  -0.916
  561   3HMC  HEC 166          HM3       HEC  66   9.199   0.899  -1.965
  562    HAC  HEC 166           HT4      HEC  66   4.598  -0.248  -2.487
  563   1HBC  HEC 166          HT4       HEC  66   5.739   1.609  -0.371
  564   2HBC  HEC 166          HT4       HEC  66   4.229   1.842  -1.267
  565   3HBC  HEC 166          HT4       HEC  66   4.417   0.457  -0.173
  566   1HMD  HEC 166          HM5       HEC  66   1.129  -0.065  -6.402
  567   2HMD  HEC 166          HM5       HEC  66   1.811   0.414  -4.851
  568   3HMD  HEC 166          HM5       HEC  66   0.880   1.574  -5.805
  569   1HAD  HEC 166          HP6       HEC  66   0.884   2.620  -8.464
  570   2HAD  HEC 166          HP6       HEC  66   0.890   0.903  -8.394
  571   1HBD  HEC 166          HP6       HEC  66   0.530   1.130 -10.524
  572   2HBD  HEC 166          HP6       HEC  66   2.243   0.811 -10.502
  Start of MODEL    5
    1   1H    ALA   1          H1        ALA   1 -12.433  -8.385  -1.436
    2   2H    ALA   1          H2        ALA   1 -12.432  -6.755  -1.222
    3   3H    ALA   1          H3        ALA   1 -11.156  -7.487  -1.950
    4    HA   ALA   1           HA       ALA   1 -10.572  -6.898   0.290
    5   1HB   ALA   1          HB1       ALA   1 -12.876  -6.826   1.154
    6   2HB   ALA   1          HB2       ALA   1 -12.975  -8.600   1.062
    7   3HB   ALA   1          HB3       ALA   1 -11.835  -7.826   2.182
    8    H    ASP   2           H        ASP   2  -9.307  -8.471  -1.509
    9    HA   ASP   2           HA       ASP   2  -8.047 -10.374   0.119
   10   1HB   ASP   2          HB2       ASP   2 -10.170 -11.611  -0.908
   11   2HB   ASP   2          HB3       ASP   2  -9.181 -11.664  -2.378
   12    H    VAL   3           H        VAL   3  -6.333 -11.487  -1.577
   13    HA   VAL   3           HA       VAL   3  -4.619  -9.317  -1.907
   14    HB   VAL   3           HB       VAL   3  -4.287 -12.019  -3.283
   15   1HG1  VAL   3          HG1       VAL   3  -2.614 -10.305  -3.951
   16   2HG1  VAL   3          HG1       VAL   3  -2.294  -9.973  -2.229
   17   3HG1  VAL   3          HG1       VAL   3  -1.876 -11.548  -2.934
   18   1HG2  VAL   3          HG2       VAL   3  -2.974 -12.563  -1.148
   19   2HG2  VAL   3          HG2       VAL   3  -3.766 -11.157  -0.414
   20   3HG2  VAL   3          HG2       VAL   3  -4.722 -12.542  -0.966
   21    H    VAL   4           H        VAL   4  -4.413  -7.733  -3.292
   22    HA   VAL   4           HA       VAL   4  -5.295  -8.092  -6.146
   23    HB   VAL   4           HB       VAL   4  -4.917  -5.434  -4.780
   24   1HG1  VAL   4          HG1       VAL   4  -6.490  -6.337  -7.236
   25   2HG1  VAL   4          HG1       VAL   4  -6.368  -4.675  -6.641
   26   3HG1  VAL   4          HG1       VAL   4  -4.932  -5.492  -7.275
   27   1HG2  VAL   4          HG2       VAL   4  -6.645  -6.477  -3.468
   28   2HG2  VAL   4          HG2       VAL   4  -7.339  -5.250  -4.534
   29   3HG2  VAL   4          HG2       VAL   4  -7.513  -6.980  -4.940
   30    H    THR   5           H        THR   5  -3.609  -8.486  -7.473
   31    HA   THR   5           HA       THR   5  -0.917  -7.325  -6.913
   32    HB   THR   5           HB       THR   5  -1.944  -9.764  -8.293
   33    HG1  THR   5           HG1      THR   5   0.502  -9.387  -6.968
   34   1HG2  THR   5          HG2       THR   5   0.310 -10.134  -9.297
   35   2HG2  THR   5          HG2       THR   5  -0.681  -8.940 -10.127
   36   3HG2  THR   5          HG2       THR   5   0.655  -8.400  -9.072
   37    H    TYR   6           H        TYR   6  -0.373  -5.493  -7.734
   38    HA   TYR   6           HA       TYR   6  -1.710  -4.394 -10.117
   39   1HB   TYR   6          HB2       TYR   6   0.057  -3.269  -7.929
   40   2HB   TYR   6          HB3       TYR   6  -0.083  -2.476  -9.458
   41    HD1  TYR   6           HD1      TYR   6  -1.597  -0.650  -9.387
   42    HD2  TYR   6           HD2      TYR   6  -2.597  -4.257  -7.257
   43    HE1  TYR   6           HE1      TYR   6  -3.630   0.450  -8.482
   44    HE2  TYR   6           HE2      TYR   6  -4.588  -3.116  -6.297
   45    HH   TYR   6           HH       TYR   6  -5.468   0.288  -6.910
   46    H    GLU   7           H        GLU   7  -0.933  -5.627 -11.803
   47    HA   GLU   7           HA       GLU   7   1.840  -6.167 -12.227
   48   1HB   GLU   7          HB2       GLU   7  -0.541  -6.549 -14.063
   49   2HB   GLU   7          HB3       GLU   7   1.053  -7.309 -14.213
   50   1HG   GLU   7          HG2       GLU   7   0.689  -8.210 -11.894
   51   2HG   GLU   7          HG3       GLU   7  -0.992  -7.635 -11.949
   52    H    ASN   8           H        ASN   8   2.600  -3.959 -12.054
   53    HA   ASN   8           HA       ASN   8   2.325  -2.279 -14.493
   54   1HB   ASN   8          HB2       ASN   8   3.271  -0.531 -13.161
   55   2HB   ASN   8          HB3       ASN   8   1.981  -1.285 -12.262
   56   1HD2  ASN   8          HD2       ASN   8   2.617  -2.795 -10.420
   57   2HD2  ASN   8          HD2       ASN   8   4.285  -2.765  -9.862
   58    H    ALA   9           H        ALA   9   4.273  -1.157 -15.260
   59    HA   ALA   9           HA       ALA   9   6.089  -3.142 -16.271
   60   1HB   ALA   9          HB1       ALA   9   6.291  -0.117 -16.420
   61   2HB   ALA   9          HB2       ALA   9   7.095  -1.294 -17.480
   62   3HB   ALA   9          HB3       ALA   9   5.324  -1.135 -17.513
   63    H    ALA  10           H        ALA  10   6.292  -1.267 -13.337
   64    HA   ALA  10           HA       ALA  10   9.274  -1.379 -13.303
   65   1HB   ALA  10          HB1       ALA  10   9.082   0.061 -11.349
   66   2HB   ALA  10          HB2       ALA  10   8.183   0.719 -12.727
   67   3HB   ALA  10          HB3       ALA  10   7.314  -0.064 -11.398
   68    H    GLY  11           H        GLY  11   7.020  -3.648 -12.749
   69   1HA   GLY  11          HA2       GLY  11   7.719  -5.752 -11.611
   70   2HA   GLY  11          HA3       GLY  11   8.409  -4.800 -10.327
   71    H    ASN  12           H        ASN  12   5.990  -6.830 -10.505
   72    HA   ASN  12           HA       ASN  12   3.769  -5.084  -9.721
   73   1HB   ASN  12          HB2       ASN  12   2.465  -7.018  -9.417
   74   2HB   ASN  12          HB3       ASN  12   3.307  -7.090 -10.965
   75   1HD2  ASN  12          HD2       ASN  12   2.316  -9.492 -10.087
   76   2HD2  ASN  12          HD2       ASN  12   3.657 -10.477  -9.520
   77    H    VAL  13           H        VAL  13   2.648  -5.433  -7.665
   78    HA   VAL  13           HA       VAL  13   4.648  -5.319  -5.464
   79    HB   VAL  13           HB       VAL  13   4.310  -3.152  -6.214
   80   1HG1  VAL  13          HG1       VAL  13   2.285  -3.343  -7.508
   81   2HG1  VAL  13          HG1       VAL  13   1.330  -3.703  -6.038
   82   3HG1  VAL  13          HG1       VAL  13   2.061  -2.102  -6.282
   83   1HG2  VAL  13          HG2       VAL  13   2.510  -3.452  -3.776
   84   2HG2  VAL  13          HG2       VAL  13   4.286  -3.493  -3.721
   85   3HG2  VAL  13          HG2       VAL  13   3.441  -2.028  -4.268
   86    H    THR  14           H        THR  14   1.369  -6.375  -6.126
   87    HA   THR  14           HA       THR  14  -0.128  -7.511  -4.850
   88    HB   THR  14           HB       THR  14   2.458  -8.401  -3.574
   89    HG1  THR  14           HG1      THR  14   0.692  -9.759  -5.301
   90   1HG2  THR  14          HG2       THR  14  -0.351  -9.531  -3.330
   91   2HG2  THR  14          HG2       THR  14   1.124 -10.433  -2.927
   92   3HG2  THR  14          HG2       THR  14   0.681  -9.010  -1.979
   93    H    PHE  15           H        PHE  15  -1.368  -5.899  -4.131
   94    HA   PHE  15           HA       PHE  15  -1.061  -4.678  -1.457
   95   1HB   PHE  15          HB2       PHE  15  -3.337  -4.828  -3.459
   96   2HB   PHE  15          HB3       PHE  15  -3.452  -4.034  -1.896
   97    HD1  PHE  15           HD1      PHE  15  -4.245  -2.034  -2.883
   98    HD2  PHE  15           HD2      PHE  15  -0.467  -3.679  -4.185
   99    HE1  PHE  15           HE1      PHE  15  -3.931  -0.145  -4.429
  100    HE2  PHE  15           HE2      PHE  15  -0.255  -1.874  -5.786
  101    HZ   PHE  15           HZ       PHE  15  -1.932  -0.057  -5.891
  102    H    ASP  16           H        ASP  16  -1.340  -6.129   0.295
  103    HA   ASP  16           HA       ASP  16  -3.083  -8.494  -0.221
  104   1HB   ASP  16          HB2       ASP  16  -0.703  -8.862   0.452
  105   2HB   ASP  16          HB3       ASP  16  -1.114  -8.217   2.051
  106    H    HIS  17           HN       HIS  17  -4.800  -7.015  -0.195
  107    HA   HIS  17           HA       HIS  17  -5.902  -5.409   1.723
  108   1HB   HIS  17          HB2       HIS  17  -6.846  -7.106  -0.422
  109   2HB   HIS  17          HB3       HIS  17  -7.926  -7.361   0.936
  110    HD1  HIS  17           HND      HIS  17  -7.614  -5.188  -1.943
  111    HD2  HIS  17           HD       HIS  17  -8.554  -4.724   2.107
  112    HE1  HIS  17           HE       HIS  17  -8.723  -2.914  -1.735
  113    H    LYS  18           H        LYS  18  -5.871  -8.920   1.745
  114    HA   LYS  18           HA       LYS  18  -7.332  -9.338   4.172
  115   1HB   LYS  18          HB2       LYS  18  -7.182 -10.702   2.129
  116   2HB   LYS  18          HB3       LYS  18  -5.545 -11.200   2.545
  117   1HG   LYS  18          HG2       LYS  18  -6.404 -12.403   4.540
  118   2HG   LYS  18          HG3       LYS  18  -8.031 -11.738   4.254
  119   1HD   LYS  18          HD2       LYS  18  -7.937 -12.664   1.913
  120   2HD   LYS  18          HD3       LYS  18  -6.419 -13.478   2.304
  121   1HE   LYS  18          HE2       LYS  18  -7.640 -14.893   3.933
  122   2HE   LYS  18          HE3       LYS  18  -9.110 -13.930   3.686
  123   1HZ   LYS  18          HZ1       LYS  18  -9.241 -15.852   2.270
  124   2HZ   LYS  18          HZ2       LYS  18  -8.986 -14.533   1.302
  125   3HZ   LYS  18          HZ3       LYS  18  -7.759 -15.539   1.612
  126    H    ALA  19           H        ALA  19  -3.852 -10.175   3.440
  127    HA   ALA  19           HA       ALA  19  -3.205 -10.796   6.115
  128   1HB   ALA  19          HB1       ALA  19  -0.892 -10.652   5.441
  129   2HB   ALA  19          HB2       ALA  19  -1.825 -11.364   4.110
  130   3HB   ALA  19          HB3       ALA  19  -1.307  -9.656   4.040
  131    H    HIS  20           HN       HIS  20  -2.990  -7.631   4.422
  132    HA   HIS  20           HA       HIS  20  -1.931  -6.164   6.671
  133   1HB   HIS  20          HB2       HIS  20  -3.692  -5.340   4.351
  134   2HB   HIS  20          HB3       HIS  20  -3.137  -4.231   5.606
  135    HD1  HIS  20           HND      HIS  20  -1.785  -6.251   2.699
  136    HD2  HIS  20           HD       HIS  20  -0.697  -3.266   5.434
  137    HE1  HIS  20           HE       HIS  20   0.405  -5.190   1.809
  138    H    ALA  21           H        ALA  21  -5.417  -6.543   5.587
  139    HA   ALA  21           HA       ALA  21  -6.497  -5.190   7.775
  140   1HB   ALA  21          HB1       ALA  21  -7.790  -5.716   5.781
  141   2HB   ALA  21          HB2       ALA  21  -7.719  -7.456   6.157
  142   3HB   ALA  21          HB3       ALA  21  -8.601  -6.345   7.225
  143    H    GLU  22           H        GLU  22  -5.785  -8.679   7.568
  144    HA   GLU  22           HA       GLU  22  -6.990  -9.558   9.917
  145   1HB   GLU  22          HB2       GLU  22  -4.392 -10.462   8.627
  146   2HB   GLU  22          HB3       GLU  22  -5.318 -11.414   9.788
  147   1HG   GLU  22          HG2       GLU  22  -6.930 -10.512   7.426
  148   2HG   GLU  22          HG3       GLU  22  -5.542 -11.525   7.017
  149    H    LYS  23           H        LYS  23  -3.858  -7.901   9.502
  150    HA   LYS  23           HA       LYS  23  -3.196  -8.054  12.369
  151   1HB   LYS  23          HB2       LYS  23  -1.723  -7.926   9.980
  152   2HB   LYS  23          HB3       LYS  23  -1.589  -6.292  10.613
  153   1HG   LYS  23          HG2       LYS  23  -0.965  -7.394  12.870
  154   2HG   LYS  23          HG3       LYS  23  -0.847  -8.904  11.930
  155   1HD   LYS  23          HD2       LYS  23   0.722  -7.578  10.340
  156   2HD   LYS  23          HD3       LYS  23   0.698  -6.290  11.537
  157   1HE   LYS  23          HE2       LYS  23   2.668  -7.431  12.050
  158   2HE   LYS  23          HE3       LYS  23   1.531  -8.067  13.249
  159   1HZ   LYS  23          HZ1       LYS  23   1.258  -9.999  11.718
  160   2HZ   LYS  23          HZ2       LYS  23   2.310  -9.322  10.676
  161   3HZ   LYS  23          HZ3       LYS  23   2.851  -9.803  12.131
  162    H    LEU  24           H        LEU  24  -4.112  -5.671   9.963
  163    HA   LEU  24           HA       LEU  24  -4.110  -3.289  11.780
  164   1HB   LEU  24          HB2       LEU  24  -4.270  -3.687   8.786
  165   2HB   LEU  24          HB3       LEU  24  -4.308  -2.150   9.625
  166    HG   LEU  24           HG       LEU  24  -1.973  -4.041   9.991
  167   1HD1  LEU  24          HD1       LEU  24  -0.807  -2.762   8.236
  168   2HD1  LEU  24          HD1       LEU  24  -2.188  -3.660   7.603
  169   3HD1  LEU  24          HD1       LEU  24  -2.320  -1.905   7.853
  170   1HD2  LEU  24          HD2       LEU  24  -2.159  -2.172  11.620
  171   2HD2  LEU  24          HD2       LEU  24  -0.783  -1.941  10.534
  172   3HD2  LEU  24          HD2       LEU  24  -2.274  -1.014  10.276
  173    H    GLY  25           H        GLY  25  -6.279  -3.489   9.054
  174   1HA   GLY  25          HA2       GLY  25  -8.573  -4.593   9.981
  175   2HA   GLY  25          HA3       GLY  25  -8.584  -2.962  10.683
  176    H    CYS  26           HN       CYS  26 -10.114  -2.120   9.393
  177    HA   CYS  26           HA       CYS  26  -9.573  -1.815   6.430
  178   1HB   CYS  26          HB2       CYS  26 -12.236  -1.239   7.704
  179   2HB   CYS  26          HB3       CYS  26 -11.797  -1.357   5.993
  180    H    ASP  27           H        ASP  27 -10.785  -0.266   9.277
  181    HA   ASP  27           HA       ASP  27 -10.647   2.432   9.258
  182   1HB   ASP  27          HB2       ASP  27  -9.590   1.861  11.589
  183   2HB   ASP  27          HB3       ASP  27 -11.182   1.191  11.196
  184    H    ALA  28           H        ALA  28  -7.783   0.432  10.026
  185    HA   ALA  28           HA       ALA  28  -5.713   1.968   9.902
  186   1HB   ALA  28          HB1       ALA  28  -4.526  -0.085   9.009
  187   2HB   ALA  28          HB2       ALA  28  -5.664  -0.442  10.330
  188   3HB   ALA  28          HB3       ALA  28  -6.145  -0.768   8.661
  189    H    CYS  29           HN       CYS  29  -7.514   1.238   6.942
  190    HA   CYS  29           HA       CYS  29  -5.611   2.878   5.300
  191   1HB   CYS  29          HB2       CYS  29  -7.118   0.351   4.608
  192   2HB   CYS  29          HB3       CYS  29  -6.236   1.378   3.464
  193    H    HIS  30           HN       HIS  30  -8.670   2.836   6.642
  194    HA   HIS  30           HA       HIS  30  -9.964   4.351   4.444
  195   1HB   HIS  30          HB2       HIS  30 -10.903   1.670   5.568
  196   2HB   HIS  30          HB3       HIS  30 -11.883   2.714   4.592
  197    HD1  HIS  30           HND      HIS  30 -10.714   3.155   2.009
  198    HD2  HIS  30           HD       HIS  30  -9.913  -0.292   4.226
  199    HE1  HIS  30           HE       HIS  30 -10.299   1.273   0.309
  200    H    GLU  31           H        GLU  31 -10.143   6.154   5.717
  201    HA   GLU  31           HA       GLU  31 -11.131   6.017   8.352
  202   1HB   GLU  31          HB2       GLU  31 -10.873   8.371   6.437
  203   2HB   GLU  31          HB3       GLU  31 -11.210   8.507   8.169
  204   1HG   GLU  31          HG2       GLU  31  -9.065   7.348   8.686
  205   2HG   GLU  31          HG3       GLU  31  -8.681   7.287   6.957
  206    H    GLY  32           H        GLY  32 -13.020   4.595   7.642
  207   1HA   GLY  32          HA2       GLY  32 -15.345   4.415   7.868
  208   2HA   GLY  32          HA3       GLY  32 -15.537   6.162   7.668
  209    H    THR  33           H        THR  33 -16.976   3.914   6.361
  210    HA   THR  33           HA       THR  33 -17.779   3.251   4.343
  211    HB   THR  33           HB       THR  33 -17.071   6.061   3.449
  212    HG1  THR  33           HG1      THR  33 -18.198   6.014   5.418
  213   1HG2  THR  33          HG2       THR  33 -19.302   4.117   2.662
  214   2HG2  THR  33          HG2       THR  33 -19.150   5.799   2.121
  215   3HG2  THR  33          HG2       THR  33 -17.946   4.601   1.616
  216    HA   PRO  34           HA       PRO  34 -13.513   2.420   2.711
  217   1HB   PRO  34          HB2       PRO  34 -13.693  -0.263   2.308
  218   2HB   PRO  34          HB3       PRO  34 -13.382   0.455   3.912
  219   1HG   PRO  34          HG2       PRO  34 -16.061  -0.426   2.782
  220   2HG   PRO  34          HG3       PRO  34 -15.354  -0.853   4.372
  221   1HD   PRO  34          HD2       PRO  34 -17.128   1.152   4.139
  222   2HD   PRO  34          HD3       PRO  34 -15.698   1.343   5.198
  223    H    ALA  35           H        ALA  35 -13.098   2.898   0.660
  224    HA   ALA  35           HA       ALA  35 -14.677   1.860  -1.601
  225   1HB   ALA  35          HB1       ALA  35 -15.152   4.154  -2.399
  226   2HB   ALA  35          HB2       ALA  35 -15.893   3.879  -0.811
  227   3HB   ALA  35          HB3       ALA  35 -14.398   4.827  -0.936
  228    H    LYS  36           H        LYS  36 -13.643   2.985  -3.690
  229    HA   LYS  36           HA       LYS  36 -10.922   2.189  -3.658
  230   1HB   LYS  36          HB2       LYS  36 -10.836   2.740  -5.970
  231   2HB   LYS  36          HB3       LYS  36 -12.372   1.950  -5.595
  232   1HG   LYS  36          HG2       LYS  36 -13.455   4.254  -5.512
  233   2HG   LYS  36          HG3       LYS  36 -11.913   4.933  -6.076
  234   1HD   LYS  36          HD2       LYS  36 -11.997   3.426  -8.063
  235   2HD   LYS  36          HD3       LYS  36 -13.550   2.779  -7.498
  236   1HE   LYS  36          HE2       LYS  36 -14.536   5.087  -7.632
  237   2HE   LYS  36          HE3       LYS  36 -12.988   5.703  -8.234
  238   1HZ   LYS  36          HZ1       LYS  36 -13.216   4.230 -10.131
  239   2HZ   LYS  36          HZ2       LYS  36 -14.654   3.663  -9.569
  240   3HZ   LYS  36          HZ3       LYS  36 -14.515   5.237 -10.034
  241    H    ILE  37           H        ILE  37  -9.000   3.425  -4.224
  242    HA   ILE  37           HA       ILE  37  -9.104   6.208  -3.131
  243    HB   ILE  37           HB       ILE  37  -6.890   4.212  -2.540
  244   1HG1  ILE  37          HG1       ILE  37  -9.374   4.913  -0.924
  245   2HG1  ILE  37          HG1       ILE  37  -8.905   3.318  -1.519
  246   1HG2  ILE  37          HG2       ILE  37  -7.588   6.880  -1.245
  247   2HG2  ILE  37          HG2       ILE  37  -6.264   5.802  -0.756
  248   3HG2  ILE  37          HG2       ILE  37  -6.202   6.575  -2.315
  249   1HD1  ILE  37          HD1       ILE  37  -7.607   4.848   0.746
  250   2HD1  ILE  37          HD1       ILE  37  -8.436   3.294   0.786
  251   3HD1  ILE  37          HD1       ILE  37  -6.867   3.420  -0.024
  252    H    ALA  38           H        ALA  38  -8.172   4.359  -5.668
  253    HA   ALA  38           HA       ALA  38  -6.994   4.516  -7.483
  254   1HB   ALA  38          HB1       ALA  38  -8.314   6.430  -7.891
  255   2HB   ALA  38          HB2       ALA  38  -7.067   7.497  -7.155
  256   3HB   ALA  38          HB3       ALA  38  -6.663   6.511  -8.602
  257    H    ILE  39           H        ILE  39  -5.406   3.426  -6.771
  258    HA   ILE  39           HA       ILE  39  -2.958   4.792  -5.742
  259    HB   ILE  39           HB       ILE  39  -3.579   1.869  -5.962
  260   1HG1  ILE  39          HG1       ILE  39  -5.054   2.970  -4.339
  261   2HG1  ILE  39          HG1       ILE  39  -3.801   2.020  -3.574
  262   1HG2  ILE  39          HG2       ILE  39  -1.557   1.768  -4.403
  263   2HG2  ILE  39          HG2       ILE  39  -1.206   2.234  -6.081
  264   3HG2  ILE  39          HG2       ILE  39  -1.266   3.465  -4.798
  265   1HD1  ILE  39          HD1       ILE  39  -4.160   4.047  -2.314
  266   2HD1  ILE  39          HD1       ILE  39  -2.540   4.104  -3.020
  267   3HD1  ILE  39          HD1       ILE  39  -3.870   5.054  -3.733
  268    H    ASP  40           H        ASP  40  -2.142   5.821  -7.307
  269    HA   ASP  40           HA       ASP  40  -1.190   4.466  -9.806
  270   1HB   ASP  40          HB2       ASP  40  -1.392   7.427  -9.061
  271   2HB   ASP  40          HB3       ASP  40  -0.959   6.766 -10.646
  272    H    LYS  41           H        LYS  41   1.033   4.963 -10.390
  273    HA   LYS  41           HA       LYS  41   3.170   5.274  -8.753
  274   1HB   LYS  41          HB2       LYS  41   4.336   6.177 -10.756
  275   2HB   LYS  41          HB3       LYS  41   3.243   4.851 -11.159
  276   1HG   LYS  41          HG2       LYS  41   1.544   6.369 -11.987
  277   2HG   LYS  41          HG3       LYS  41   2.482   7.786 -11.469
  278   1HD   LYS  41          HD2       LYS  41   4.322   7.106 -13.009
  279   2HD   LYS  41          HD3       LYS  41   3.342   5.712 -13.529
  280   1HE   LYS  41          HE2       LYS  41   1.557   7.251 -14.319
  281   2HE   LYS  41          HE3       LYS  41   2.526   8.647 -13.821
  282   1HZ   LYS  41          HZ1       LYS  41   2.772   8.164 -16.173
  283   2HZ   LYS  41          HZ2       LYS  41   4.211   7.954 -15.404
  284   3HZ   LYS  41          HZ3       LYS  41   3.317   6.646 -15.848
  285    H    LYS  42           H        LYS  42   1.046   7.344  -7.933
  286    HA   LYS  42           HA       LYS  42   2.843   9.649  -7.437
  287   1HB   LYS  42          HB2       LYS  42   1.159  10.113  -9.268
  288   2HB   LYS  42          HB3       LYS  42  -0.136   9.798  -8.118
  289   1HG   LYS  42          HG2       LYS  42   0.932  11.674  -6.666
  290   2HG   LYS  42          HG3       LYS  42   1.946  12.008  -8.083
  291   1HD   LYS  42          HD2       LYS  42  -0.413  12.022  -9.371
  292   2HD   LYS  42          HD3       LYS  42  -1.080  12.178  -7.752
  293   1HE   LYS  42          HE2       LYS  42  -0.922  14.401  -8.528
  294   2HE   LYS  42          HE3       LYS  42   0.460  14.225  -7.438
  295   1HZ   LYS  42          HZ1       LYS  42   0.520  14.014 -10.392
  296   2HZ   LYS  42          HZ2       LYS  42   1.080  15.288  -9.517
  297   3HZ   LYS  42          HZ3       LYS  42   1.830  13.827  -9.419
  298    H    SER  43           H        SER  43  -0.493   8.525  -6.555
  299    HA   SER  43           HA       SER  43  -0.401   9.066  -3.784
  300   1HB   SER  43          HB2       SER  43  -2.212   7.168  -3.870
  301   2HB   SER  43          HB3       SER  43  -2.498   8.701  -4.704
  302    HG   SER  43           HG       SER  43  -2.994   7.051  -6.116
  303    H    ALA  44           H        ALA  44   0.333   5.979  -5.535
  304    HA   ALA  44           HA       ALA  44   0.990   4.464  -3.263
  305   1HB   ALA  44          HB1       ALA  44   2.371   4.265  -5.980
  306   2HB   ALA  44          HB2       ALA  44   2.107   2.979  -4.785
  307   3HB   ALA  44          HB3       ALA  44   0.737   3.661  -5.686
  308    H    HIS  45           HN       HIS  45   2.870   7.023  -4.712
  309    HA   HIS  45           HA       HIS  45   5.395   6.100  -3.418
  310   1HB   HIS  45          HB2       HIS  45   4.857   8.179  -5.582
  311   2HB   HIS  45          HB3       HIS  45   6.448   7.686  -4.993
  312    HD1  HIS  45           HND      HIS  45   5.422   7.364  -8.062
  313    HD2  HIS  45           HD       HIS  45   5.661   4.440  -5.056
  314    HE1  HIS  45           HE       HIS  45   5.981   5.191  -9.225
  315    H    LYS  46           H        LYS  46   2.938   8.531  -3.183
  316    HA   LYS  46           HA       LYS  46   4.623  10.590  -1.986
  317   1HB   LYS  46          HB2       LYS  46   2.725  11.122  -3.400
  318   2HB   LYS  46          HB3       LYS  46   1.622  10.248  -2.376
  319   1HG   LYS  46          HG2       LYS  46   2.305  11.960  -0.509
  320   2HG   LYS  46          HG3       LYS  46   3.064  12.880  -1.817
  321   1HD   LYS  46          HD2       LYS  46   0.871  12.982  -2.998
  322   2HD   LYS  46          HD3       LYS  46   0.168  11.914  -1.781
  323   1HE   LYS  46          HE2       LYS  46   1.193  13.964  -0.197
  324   2HE   LYS  46          HE3       LYS  46   0.688  14.845  -1.645
  325   1HZ   LYS  46          HZ1       LYS  46  -0.933  13.018   0.016
  326   2HZ   LYS  46          HZ2       LYS  46  -1.095  14.641  -0.011
  327   3HZ   LYS  46          HZ3       LYS  46  -1.513  13.745  -1.338
  328    H    ASP  47           H        ASP  47   1.577   9.607  -0.515
  329    HA   ASP  47           HA       ASP  47   2.843   9.192   2.117
  330   1HB   ASP  47          HB2       ASP  47   0.548  10.099   2.818
  331   2HB   ASP  47          HB3       ASP  47   1.668  11.231   2.047
  332    H    ALA  48           H        ALA  48  -0.018   8.348   0.157
  333    HA   ALA  48           HA       ALA  48  -1.071   6.243   1.597
  334   1HB   ALA  48          HB1       ALA  48  -1.994   7.220  -0.534
  335   2HB   ALA  48          HB2       ALA  48  -0.842   6.205  -1.435
  336   3HB   ALA  48          HB3       ALA  48  -2.082   5.450  -0.432
  337    H    CYS  49           HN       CYS  49  -0.364   4.346   2.272
  338    HA   CYS  49           HA       CYS  49   0.749   2.403   2.539
  339   1HB   CYS  49          HB2       CYS  49   1.666   2.648  -0.343
  340   2HB   CYS  49          HB3       CYS  49   1.725   1.245   0.709
  341    H    LYS  50           H        LYS  50   2.932   4.442   0.575
  342    HA   LYS  50           HA       LYS  50   5.404   3.801   1.612
  343   1HB   LYS  50          HB2       LYS  50   4.152   6.420   0.783
  344   2HB   LYS  50          HB3       LYS  50   5.811   6.382   1.351
  345   1HG   LYS  50          HG2       LYS  50   5.195   4.292  -0.683
  346   2HG   LYS  50          HG3       LYS  50   4.946   5.931  -1.207
  347   1HD   LYS  50          HD2       LYS  50   7.184   5.187  -1.808
  348   2HD   LYS  50          HD3       LYS  50   7.221   6.575  -0.718
  349   1HE   LYS  50          HE2       LYS  50   7.801   5.128   1.181
  350   2HE   LYS  50          HE3       LYS  50   7.655   3.674   0.191
  351   1HZ   LYS  50          HZ1       LYS  50   9.526   5.756  -0.666
  352   2HZ   LYS  50          HZ2       LYS  50   9.982   4.822   0.591
  353   3HZ   LYS  50          HZ3       LYS  50   9.696   4.126  -0.830
  354    H    THR  51           H        THR  51   3.336   6.389   3.150
  355    HA   THR  51           HA       THR  51   5.178   6.937   5.179
  356    HB   THR  51           HB       THR  51   2.155   7.206   5.226
  357    HG1  THR  51           HG1      THR  51   2.753   9.318   4.621
  358   1HG2  THR  51          HG2       THR  51   3.000   7.376   7.559
  359   2HG2  THR  51          HG2       THR  51   4.292   8.472   7.015
  360   3HG2  THR  51          HG2       THR  51   2.594   8.981   6.939
  361    H    CYS  52           HN       CYS  52   2.465   4.604   5.417
  362    HA   CYS  52           HA       CYS  52   3.042   3.687   8.080
  363   1HB   CYS  52          HB2       CYS  52   0.935   3.295   6.807
  364   2HB   CYS  52          HB3       CYS  52   1.819   2.135   5.793
  365    H    HIS  53           HN       HIS  53   4.054   2.459   4.854
  366    HA   HIS  53           HA       HIS  53   5.825   0.451   5.837
  367   1HB   HIS  53          HB2       HIS  53   5.444   1.943   3.244
  368   2HB   HIS  53          HB3       HIS  53   6.883   0.968   3.458
  369    HD1  HIS  53           HND      HIS  53   6.744  -1.578   3.624
  370    HD2  HIS  53           HD       HIS  53   3.029   0.342   3.535
  371    HE1  HIS  53           HE       HIS  53   4.965  -3.420   3.546
  372    H    LYS  54           H        LYS  54   6.378   3.943   5.686
  373    HA   LYS  54           HA       LYS  54   9.280   3.805   5.967
  374   1HB   LYS  54          HB2       LYS  54   7.429   6.056   6.661
  375   2HB   LYS  54          HB3       LYS  54   9.200   6.001   6.622
  376   1HG   LYS  54          HG2       LYS  54   8.958   5.127   4.201
  377   2HG   LYS  54          HG3       LYS  54   7.320   5.772   4.312
  378   1HD   LYS  54          HD2       LYS  54   8.425   7.891   5.300
  379   2HD   LYS  54          HD3       LYS  54   9.955   7.160   4.753
  380   1HE   LYS  54          HE2       LYS  54   9.180   7.273   2.401
  381   2HE   LYS  54          HE3       LYS  54   7.548   7.737   2.920
  382   1HZ   LYS  54          HZ1       LYS  54   8.764   9.648   2.155
  383   2HZ   LYS  54          HZ2       LYS  54   8.433   9.799   3.752
  384   3HZ   LYS  54          HZ3       LYS  54   9.953   9.408   3.269
  385    H    SER  55           H        SER  55   6.652   4.684   8.280
  386    HA   SER  55           HA       SER  55   6.704   4.945  10.557
  387   1HB   SER  55          HB2       SER  55   7.855   2.130  10.319
  388   2HB   SER  55          HB3       SER  55   7.268   2.856  11.824
  389    HG   SER  55           HG       SER  55   5.710   2.426   9.468
  390    H    ASN  56           H        ASN  56   8.878   6.103   9.206
  391    HA   ASN  56           HA       ASN  56  10.852   7.148   9.489
  392   1HB   ASN  56          HB2       ASN  56  10.661   6.298  12.390
  393   2HB   ASN  56          HB3       ASN  56  11.703   7.565  11.729
  394   1HD2  ASN  56          HD2       ASN  56   8.789   7.069  13.308
  395   2HD2  ASN  56          HD2       ASN  56   7.999   8.560  12.801
  396    H    ASN  57           H        ASN  57  10.731   3.786   9.816
  397    HA   ASN  57           HA       ASN  57  13.613   3.466   9.305
  398   1HB   ASN  57          HB2       ASN  57  12.242   2.252  11.750
  399   2HB   ASN  57          HB3       ASN  57  13.796   1.722  11.093
  400   1HD2  ASN  57          HD2       ASN  57  12.185   4.191  12.997
  401   2HD2  ASN  57          HD2       ASN  57  13.680   5.032  13.415
  402    H    GLY  58           H        GLY  58  12.648   2.899   7.251
  403   1HA   GLY  58          HA2       GLY  58  11.582   0.110   7.146
  404   2HA   GLY  58          HA3       GLY  58  10.705   1.442   6.370
  405    HA   PRO  59           HA       PRO  59  14.136  -0.561   3.716
  406   1HB   PRO  59          HB2       PRO  59  12.596  -1.716   1.743
  407   2HB   PRO  59          HB3       PRO  59  13.013  -2.516   3.282
  408   1HG   PRO  59          HG2       PRO  59  10.458  -1.029   2.625
  409   2HG   PRO  59          HG3       PRO  59  10.632  -2.643   3.367
  410   1HD   PRO  59          HD2       PRO  59  10.220  -0.445   4.900
  411   2HD   PRO  59          HD3       PRO  59  11.352  -1.719   5.436
  412    H    THR  60           H        THR  60  11.153   0.988   2.664
  413    HA   THR  60           HA       THR  60  10.559   2.621   1.367
  414    HB   THR  60           HB       THR  60  11.723   3.882   3.051
  415    HG1  THR  60           HG1      THR  60  12.245   5.570   1.098
  416   1HG2  THR  60          HG2       THR  60  14.068   3.395   2.783
  417   2HG2  THR  60          HG2       THR  60  14.070   3.979   1.102
  418   3HG2  THR  60          HG2       THR  60  13.826   5.103   2.456
  419    H    LYS  61           H        LYS  61  13.648   1.455   0.195
  420    HA   LYS  61           HA       LYS  61  13.888   2.427  -2.374
  421   1HB   LYS  61          HB2       LYS  61  14.214  -0.401  -1.280
  422   2HB   LYS  61          HB3       LYS  61  14.751   0.084  -2.890
  423   1HG   LYS  61          HG2       LYS  61  16.337   1.683  -1.947
  424   2HG   LYS  61          HG3       LYS  61  15.824   1.262  -0.297
  425   1HD   LYS  61          HD2       LYS  61  16.465  -1.068  -0.610
  426   2HD   LYS  61          HD3       LYS  61  16.897  -0.807  -2.296
  427   1HE   LYS  61          HE2       LYS  61  18.286   0.555   0.071
  428   2HE   LYS  61          HE3       LYS  61  18.822  -0.969  -0.646
  429   1HZ   LYS  61          HZ1       LYS  61  19.126   0.155  -2.742
  430   2HZ   LYS  61          HZ2       LYS  61  18.652   1.591  -2.097
  431   3HZ   LYS  61          HZ3       LYS  61  20.030   0.867  -1.573
  432    H    CYS  62           HN       CYS  62  13.248   1.674  -4.428
  433    HA   CYS  62           HA       CYS  62  10.576   1.086  -4.980
  434   1HB   CYS  62          HB2       CYS  62  12.843   0.114  -6.709
  435   2HB   CYS  62          HB3       CYS  62  11.264   0.727  -7.196
  436    H    GLY  63           H        GLY  63  13.275  -1.183  -4.801
  437   1HA   GLY  63          HA2       GLY  63  11.994  -3.643  -5.137
  438   2HA   GLY  63          HA3       GLY  63  13.460  -3.358  -4.209
  439    H    GLY  64           H        GLY  64  11.719  -1.479  -2.377
  440   1HA   GLY  64          HA2       GLY  64  10.978  -3.428  -0.364
  441   2HA   GLY  64          HA3       GLY  64  10.671  -1.685  -0.359
  442    H    CYS  65           HN       CYS  65   9.390  -2.126  -3.186
  443    HA   CYS  65           HA       CYS  65   6.768  -3.328  -2.319
  444   1HB   CYS  65          HB2       CYS  65   7.342  -0.837  -3.927
  445   2HB   CYS  65          HB3       CYS  65   5.766  -1.638  -3.858
  446    H    HIS  66           HN       HIS  66   8.601  -2.262  -5.243
  447    HA   HIS  66           HA       HIS  66   7.046  -4.075  -6.938
  448   1HB   HIS  66          HB2       HIS  66   9.535  -2.415  -7.530
  449   2HB   HIS  66          HB3       HIS  66   8.541  -3.255  -8.671
  450    HD1  HIS  66           HND      HIS  66   6.426  -2.170  -9.539
  451    HD2  HIS  66           HD       HIS  66   8.394  -0.040  -6.526
  452    HE1  HIS  66           HE       HIS  66   5.388   0.154  -9.514
  453    H    ILE  67           H        ILE  67   7.599  -6.250  -7.351
  454    HA   ILE  67           HA       ILE  67   9.970  -7.503  -6.365
  455    HB   ILE  67           HB       ILE  67   8.475  -8.212  -8.918
  456   1HG1  ILE  67          HG1       ILE  67   6.842  -8.216  -7.180
  457   2HG1  ILE  67          HG1       ILE  67   7.262  -9.877  -7.549
  458   1HG2  ILE  67          HG2       ILE  67   9.349 -10.513  -8.440
  459   2HG2  ILE  67          HG2       ILE  67  10.617  -9.350  -8.826
  460   3HG2  ILE  67          HG2       ILE  67  10.350  -9.832  -7.142
  461   1HD1  ILE  67          HD1       ILE  67   8.726  -9.927  -5.496
  462   2HD1  ILE  67          HD1       ILE  67   8.190  -8.270  -5.121
  463   3HD1  ILE  67          HD1       ILE  67   7.022  -9.595  -5.149
  464    H    LYS  68           H        LYS  68  12.132  -7.467  -6.998
  465    HA   LYS  68           HA       LYS  68  12.852  -6.044  -9.466
  466   1HB   LYS  68          HB2       LYS  68  12.595  -4.274  -7.820
  467   2HB   LYS  68          HB3       LYS  68  13.360  -5.260  -6.567
  468   1HG   LYS  68          HG2       LYS  68  14.899  -3.525  -7.254
  469   2HG   LYS  68          HG3       LYS  68  15.512  -5.123  -7.660
  470   1HD   LYS  68          HD2       LYS  68  14.310  -4.614 -10.012
  471   2HD   LYS  68          HD3       LYS  68  14.459  -2.935  -9.493
  472   1HE   LYS  68          HE2       LYS  68  16.918  -3.223  -9.340
  473   2HE   LYS  68          HE3       LYS  68  16.751  -4.974  -9.578
  474   1HZ   LYS  68          HZ1       LYS  68  16.019  -2.969 -11.598
  475   2HZ   LYS  68          HZ2       LYS  68  17.375  -3.910 -11.620
  476   3HZ   LYS  68          HZ3       LYS  68  15.890  -4.606 -11.740
  477    HHA  HEC 130           HCM      HEC  30 -10.443  -0.178  -2.909
  478    HHB  HEC 130           HDM      HEC  30 -13.699  -2.795   1.744
  479    HHC  HEC 130           HAM      HEC  30  -8.410  -3.557   5.013
  480    HHD  HEC 130           HBM      HEC  30  -5.516  -0.089   0.810
  481   1HMA  HEC 130          HM8       HEC  30 -15.231  -1.708  -1.496
  482   2HMA  HEC 130          HM8       HEC  30 -14.975  -2.940  -0.263
  483   3HMA  HEC 130          HM8       HEC  30 -15.218  -1.242   0.214
  484   1HAA  HEC 130          HP7       HEC  30 -12.577   0.321  -3.229
  485   2HAA  HEC 130          HP7       HEC  30 -14.168  -0.190  -2.716
  486   1HBA  HEC 130          HP7       HEC  30 -13.744  -2.424  -3.739
  487   2HBA  HEC 130          HP7       HEC  30 -12.173  -1.838  -4.297
  488   1HMB  HEC 130          HM1       HEC  30 -13.985  -4.646   3.305
  489   2HMB  HEC 130          HM1       HEC  30 -13.608  -4.570   5.025
  490   3HMB  HEC 130          HM1       HEC  30 -14.239  -3.137   4.220
  491    HAB  HEC 130           HT2      HEC  30  -9.972  -4.104   6.331
  492   1HBB  HEC 130          HT2       HEC  30 -11.011  -6.178   6.964
  493   2HBB  HEC 130          HT2       HEC  30 -12.106  -6.123   5.577
  494   3HBB  HEC 130          HT2       HEC  30 -10.363  -6.310   5.319
  495   1HMC  HEC 130          HM3       HEC  30  -5.531  -4.212   4.332
  496   2HMC  HEC 130          HM3       HEC  30  -4.707  -2.792   5.003
  497   3HMC  HEC 130          HM3       HEC  30  -6.223  -3.323   5.728
  498    HAC  HEC 130           HT4      HEC  30  -4.511   0.221   2.565
  499   1HBC  HEC 130          HT4       HEC  30  -3.326  -2.447   3.296
  500   2HBC  HEC 130          HT4       HEC  30  -3.128  -1.434   1.844
  501   3HBC  HEC 130          HT4       HEC  30  -2.464  -0.904   3.412
  502   1HMD  HEC 130          HM5       HEC  30  -5.391   1.134  -2.570
  503   2HMD  HEC 130          HM5       HEC  30  -5.301   1.769  -0.920
  504   3HMD  HEC 130          HM5       HEC  30  -4.710   0.129  -1.273
  505   1HAD  HEC 130          HP6       HEC  30  -7.553   2.127  -3.163
  506   2HAD  HEC 130          HP6       HEC  30  -9.018   1.339  -3.663
  507   1HBD  HEC 130          HP6       HEC  30  -7.866  -0.226  -5.040
  508   2HBD  HEC 130          HP6       HEC  30  -6.302   0.274  -4.403
  509    HHA  HEC 153           HCM      HEC  53   3.558  -6.767   4.638
  510    HHB  HEC 153           HDM      HEC  53   3.047  -3.587  -0.710
  511    HHC  HEC 153           HAM      HEC  53  -0.648   0.443   2.236
  512    HHD  HEC 153           HBM      HEC  53   1.771  -1.578   7.626
  513   1HMA  HEC 153          HM8       HEC  53   4.862  -5.185  -0.962
  514   2HMA  HEC 153          HM8       HEC  53   4.872  -6.870  -0.432
  515   3HMA  HEC 153          HM8       HEC  53   3.396  -6.185  -1.113
  516   1HAA  HEC 153          HP7       HEC  53   4.909  -7.754   3.234
  517   2HAA  HEC 153          HP7       HEC  53   5.603  -7.429   1.666
  518   1HBA  HEC 153          HP7       HEC  53   3.519  -8.523   0.644
  519   2HBA  HEC 153          HP7       HEC  53   3.123  -9.049   2.281
  520   1HMB  HEC 153          HM1       HEC  53   2.911  -1.730  -1.909
  521   2HMB  HEC 153          HM1       HEC  53   1.248  -1.940  -2.512
  522   3HMB  HEC 153          HM1       HEC  53   1.893  -0.326  -2.098
  523    HAB  HEC 153           HT2      HEC  53  -1.604  -0.269  -0.042
  524   1HBB  HEC 153          HT2       HEC  53   0.001   0.654  -2.419
  525   2HBB  HEC 153          HT2       HEC  53  -0.805  -0.938  -2.304
  526   3HBB  HEC 153          HT2       HEC  53  -1.739   0.554  -2.208
  527   1HMC  HEC 153          HM3       HEC  53  -1.467   1.762   3.670
  528   2HMC  HEC 153          HM3       HEC  53  -2.134   1.400   5.242
  529   3HMC  HEC 153          HM3       HEC  53  -0.710   2.454   5.099
  530    HAC  HEC 153           HT4      HEC  53  -0.078  -0.428   8.117
  531   1HBC  HEC 153          HT4       HEC  53  -1.365   1.396   8.839
  532   2HBC  HEC 153          HT4       HEC  53  -1.258   2.226   7.298
  533   3HBC  HEC 153          HT4       HEC  53  -2.161   0.695   7.445
  534   1HMD  HEC 153          HM5       HEC  53   1.743  -3.397   9.128
  535   2HMD  HEC 153          HM5       HEC  53   2.891  -4.708   9.371
  536   3HMD  HEC 153          HM5       HEC  53   3.492  -3.056   9.127
  537   1HAD  HEC 153          HP6       HEC  53   4.192  -6.111   8.264
  538   2HAD  HEC 153          HP6       HEC  53   4.403  -6.899   6.729
  539   1HBD  HEC 153          HP6       HEC  53   2.290  -7.957   6.805
  540   2HBD  HEC 153          HP6       HEC  53   1.659  -6.800   7.984
  541    HHA  HEC 166           HCM      HEC  66   3.068   2.499 -10.625
  542    HHB  HEC 166           HDM      HEC  66   9.215   3.345 -10.776
  543    HHC  HEC 166           HAM      HEC  66   9.337   3.029  -4.541
  544    HHD  HEC 166           HBM      HEC  66   3.564   0.772  -4.669
  545   1HMA  HEC 166          HM8       HEC  66   8.315   2.984 -13.187
  546   2HMA  HEC 166          HM8       HEC  66   6.951   3.983 -13.697
  547   3HMA  HEC 166          HM8       HEC  66   8.128   4.639 -12.560
  548   1HAA  HEC 166          HP7       HEC  66   4.635   3.769 -13.497
  549   2HAA  HEC 166          HP7       HEC  66   3.534   2.653 -12.710
  550   1HBA  HEC 166          HP7       HEC  66   5.025   0.771 -13.297
  551   2HBA  HEC 166          HP7       HEC  66   6.116   1.863 -14.113
  552   1HMB  HEC 166          HM1       HEC  66  12.311   3.947  -8.838
  553   2HMB  HEC 166          HM1       HEC  66  11.501   2.982 -10.060
  554   3HMB  HEC 166          HM1       HEC  66  11.111   4.710  -9.882
  555    HAB  HEC 166           HT2      HEC  66  11.312   3.392  -5.103
  556   1HBB  HEC 166          HT2       HEC  66  12.905   5.152  -5.505
  557   2HBB  HEC 166          HT2       HEC  66  12.316   5.381  -7.156
  558   3HBB  HEC 166          HT2       HEC  66  11.254   5.737  -5.789
  559   1HMC  HEC 166          HM3       HEC  66   8.573   3.002  -2.375
  560   2HMC  HEC 166          HM3       HEC  66   7.578   1.833  -1.494
  561   3HMC  HEC 166          HM3       HEC  66   8.868   1.256  -2.547
  562    HAC  HEC 166           HT4      HEC  66   4.354   0.102  -2.870
  563   1HBC  HEC 166          HT4       HEC  66   5.446   2.046  -0.832
  564   2HBC  HEC 166          HT4       HEC  66   3.966   2.310  -1.787
  565   3HBC  HEC 166          HT4       HEC  66   4.081   0.942  -0.663
  566   1HMD  HEC 166          HM5       HEC  66   1.731  -0.094  -5.284
  567   2HMD  HEC 166          HM5       HEC  66   0.695   1.264  -5.721
  568   3HMD  HEC 166          HM5       HEC  66   0.729  -0.191  -6.717
  569   1HAD  HEC 166          HP6       HEC  66   0.279   2.238  -8.863
  570   2HAD  HEC 166          HP6       HEC  66   0.396   0.536  -8.635
  571   1HBD  HEC 166          HP6       HEC  66   0.140   0.363 -10.748
  572   2HBD  HEC 166          HP6       HEC  66   1.881   0.528 -10.749
  Start of MODEL    6
    1   1H    ALA   1          H1        ALA   1 -11.748  -8.691  -3.493
    2   2H    ALA   1          H2        ALA   1 -11.605  -7.055  -3.572
    3   3H    ALA   1          H3        ALA   1 -10.487  -8.027  -4.305
    4    HA   ALA   1           HA       ALA   1  -9.626  -7.068  -2.294
    5   1HB   ALA   1          HB1       ALA   1 -11.842  -8.655  -0.932
    6   2HB   ALA   1          HB2       ALA   1 -10.612  -7.655  -0.126
    7   3HB   ALA   1          HB3       ALA   1 -11.827  -6.893  -1.158
    8    H    ASP   2           H        ASP   2  -8.753  -8.608  -0.345
    9    HA   ASP   2           HA       ASP   2  -7.373 -10.171   0.269
   10   1HB   ASP   2          HB2       ASP   2  -9.654 -11.432  -0.240
   11   2HB   ASP   2          HB3       ASP   2  -8.632 -12.333  -1.365
   12    H    VAL   3           H        VAL   3  -5.404  -9.623  -0.362
   13    HA   VAL   3           HA       VAL   3  -3.492  -9.357  -1.531
   14    HB   VAL   3           HB       VAL   3  -4.067 -12.249  -2.163
   15   1HG1  VAL   3          HG1       VAL   3  -1.584 -12.481  -2.070
   16   2HG1  VAL   3          HG1       VAL   3  -2.030 -11.364  -3.360
   17   3HG1  VAL   3          HG1       VAL   3  -1.427 -10.734  -1.813
   18   1HG2  VAL   3          HG2       VAL   3  -2.814 -12.676  -0.041
   19   2HG2  VAL   3          HG2       VAL   3  -2.827 -10.933   0.292
   20   3HG2  VAL   3          HG2       VAL   3  -4.350 -11.855   0.237
   21    H    VAL   4           H        VAL   4  -4.305  -7.780  -2.990
   22    HA   VAL   4           HA       VAL   4  -5.141  -8.694  -5.693
   23    HB   VAL   4           HB       VAL   4  -5.270  -5.950  -4.413
   24   1HG1  VAL   4          HG1       VAL   4  -6.778  -5.432  -6.305
   25   2HG1  VAL   4          HG1       VAL   4  -5.161  -5.835  -6.889
   26   3HG1  VAL   4          HG1       VAL   4  -6.465  -7.034  -7.003
   27   1HG2  VAL   4          HG2       VAL   4  -7.708  -6.418  -4.303
   28   2HG2  VAL   4          HG2       VAL   4  -7.401  -8.086  -4.835
   29   3HG2  VAL   4          HG2       VAL   4  -6.780  -7.516  -3.272
   30    H    THR   5           H        THR   5  -3.394  -9.190  -6.887
   31    HA   THR   5           HA       THR   5  -0.927  -7.639  -6.872
   32    HB   THR   5           HB       THR   5  -1.869 -10.146  -8.158
   33    HG1  THR   5           HG1      THR   5   0.676  -9.527  -7.180
   34   1HG2  THR   5          HG2       THR   5   0.471  -8.504  -9.204
   35   2HG2  THR   5          HG2       THR   5   0.290 -10.255  -9.433
   36   3HG2  THR   5          HG2       THR   5  -0.908  -9.167 -10.125
   37    H    TYR   6           H        TYR   6  -0.688  -5.745  -7.660
   38    HA   TYR   6           HA       TYR   6  -1.881  -4.954 -10.272
   39   1HB   TYR   6          HB2       TYR   6  -0.415  -3.445  -8.059
   40   2HB   TYR   6          HB3       TYR   6  -0.435  -2.927  -9.691
   41    HD1  TYR   6           HD1      TYR   6  -1.767  -1.032  -9.830
   42    HD2  TYR   6           HD2      TYR   6  -3.167  -4.418  -7.565
   43    HE1  TYR   6           HE1      TYR   6  -3.737   0.260  -9.106
   44    HE2  TYR   6           HE2      TYR   6  -5.175  -3.124  -6.900
   45    HH   TYR   6           HH       TYR   6  -6.510  -1.158  -7.432
   46    H    GLU   7           H        GLU   7  -0.756  -5.372 -12.028
   47    HA   GLU   7           HA       GLU   7   2.175  -5.860 -11.980
   48   1HB   GLU   7          HB2       GLU   7   0.087  -6.806 -13.968
   49   2HB   GLU   7          HB3       GLU   7   1.767  -7.339 -13.827
   50   1HG   GLU   7          HG2       GLU   7   1.140  -8.153 -11.516
   51   2HG   GLU   7          HG3       GLU   7  -0.553  -7.778 -11.879
   52    H    ASN   8           H        ASN   8   3.166  -3.943 -12.498
   53    HA   ASN   8           HA       ASN   8   2.141  -2.287 -14.725
   54   1HB   ASN   8          HB2       ASN   8   4.013  -0.752 -13.967
   55   2HB   ASN   8          HB3       ASN   8   2.646  -0.975 -12.893
   56   1HD2  ASN   8          HD2       ASN   8   2.906  -2.267 -10.942
   57   2HD2  ASN   8          HD2       ASN   8   4.530  -2.646 -10.330
   58    H    ALA   9           H        ALA   9   5.538  -2.847 -13.992
   59    HA   ALA   9           HA       ALA   9   6.408  -3.962 -16.495
   60   1HB   ALA   9          HB1       ALA   9   6.347  -0.934 -16.149
   61   2HB   ALA   9          HB2       ALA   9   7.298  -1.779 -17.395
   62   3HB   ALA   9          HB3       ALA   9   5.529  -1.862 -17.422
   63    H    ALA  10           H        ALA  10   7.103  -1.650 -13.830
   64    HA   ALA  10           HA       ALA  10   9.975  -2.210 -13.773
   65   1HB   ALA  10          HB1       ALA  10   9.059  -0.025 -13.078
   66   2HB   ALA  10          HB2       ALA  10   8.148  -0.807 -11.770
   67   3HB   ALA  10          HB3       ALA  10   9.924  -0.810 -11.745
   68    H    GLY  11           H        GLY  11   7.063  -3.277 -12.073
   69   1HA   GLY  11          HA2       GLY  11   7.905  -5.923 -11.421
   70   2HA   GLY  11          HA3       GLY  11   8.302  -4.855 -10.061
   71    H    ASN  12           H        ASN  12   5.955  -6.991 -10.741
   72    HA   ASN  12           HA       ASN  12   3.670  -5.287 -10.190
   73   1HB   ASN  12          HB2       ASN  12   2.409  -7.273  -9.713
   74   2HB   ASN  12          HB3       ASN  12   3.322  -7.456 -11.219
   75   1HD2  ASN  12          HD2       ASN  12   4.521  -9.259 -11.509
   76   2HD2  ASN  12          HD2       ASN  12   4.966 -10.329 -10.192
   77    H    VAL  13           H        VAL  13   2.536  -5.104  -8.214
   78    HA   VAL  13           HA       VAL  13   4.485  -4.918  -5.952
   79    HB   VAL  13           HB       VAL  13   4.032  -2.835  -6.851
   80   1HG1  VAL  13          HG1       VAL  13   1.732  -1.879  -6.854
   81   2HG1  VAL  13          HG1       VAL  13   1.937  -3.180  -8.027
   82   3HG1  VAL  13          HG1       VAL  13   1.094  -3.496  -6.481
   83   1HG2  VAL  13          HG2       VAL  13   4.001  -3.120  -4.276
   84   2HG2  VAL  13          HG2       VAL  13   3.346  -1.628  -4.952
   85   3HG2  VAL  13          HG2       VAL  13   2.233  -2.900  -4.412
   86    H    THR  14           H        THR  14   1.229  -6.160  -6.410
   87    HA   THR  14           HA       THR  14  -0.163  -7.272  -4.986
   88    HB   THR  14           HB       THR  14   2.473  -7.924  -3.709
   89    HG1  THR  14           HG1      THR  14   0.726  -9.445  -5.351
   90   1HG2  THR  14          HG2       THR  14   0.758  -8.433  -2.020
   91   2HG2  THR  14          HG2       THR  14  -0.296  -9.143  -3.268
   92   3HG2  THR  14          HG2       THR  14   1.234  -9.931  -2.823
   93    H    PHE  15           H        PHE  15  -1.517  -5.776  -4.347
   94    HA   PHE  15           HA       PHE  15  -1.162  -4.310  -1.803
   95   1HB   PHE  15          HB2       PHE  15  -3.549  -4.814  -3.595
   96   2HB   PHE  15          HB3       PHE  15  -3.603  -3.866  -2.109
   97    HD1  PHE  15           HD1      PHE  15  -0.549  -3.287  -4.093
   98    HD2  PHE  15           HD2      PHE  15  -4.725  -2.258  -3.666
   99    HE1  PHE  15           HE1      PHE  15  -0.345  -1.643  -5.892
  100    HE2  PHE  15           HE2      PHE  15  -4.439  -0.474  -5.348
  101    HZ   PHE  15           HZ       PHE  15  -2.274  -0.249  -6.548
  102    H    ASP  16           H        ASP  16  -1.064  -5.548   0.026
  103    HA   ASP  16           HA       ASP  16  -2.149  -8.248   0.066
  104   1HB   ASP  16          HB2       ASP  16  -0.875  -7.873   2.455
  105   2HB   ASP  16          HB3       ASP  16  -0.146  -8.469   0.976
  106    H    HIS  17           HN       HIS  17  -4.253  -6.976  -0.211
  107    HA   HIS  17           HA       HIS  17  -5.495  -5.347   1.509
  108   1HB   HIS  17          HB2       HIS  17  -6.255  -6.840  -0.690
  109   2HB   HIS  17          HB3       HIS  17  -7.267  -7.571   0.548
  110    HD1  HIS  17           HND      HIS  17  -8.015  -5.504  -2.001
  111    HD2  HIS  17           HD       HIS  17  -7.816  -4.707   2.107
  112    HE1  HIS  17           HE       HIS  17  -9.264  -3.382  -1.658
  113    H    LYS  18           H        LYS  18  -5.494  -8.826   1.778
  114    HA   LYS  18           HA       LYS  18  -6.944  -9.142   4.239
  115   1HB   LYS  18          HB2       LYS  18  -6.716 -10.733   2.303
  116   2HB   LYS  18          HB3       LYS  18  -5.031 -10.961   2.716
  117   1HG   LYS  18          HG2       LYS  18  -6.237 -11.526   5.149
  118   2HG   LYS  18          HG3       LYS  18  -7.520 -11.961   4.028
  119   1HD   LYS  18          HD2       LYS  18  -5.262 -13.125   2.814
  120   2HD   LYS  18          HD3       LYS  18  -4.829 -13.186   4.525
  121   1HE   LYS  18          HE2       LYS  18  -5.910 -15.240   3.996
  122   2HE   LYS  18          HE3       LYS  18  -7.083 -14.311   4.942
  123   1HZ   LYS  18          HZ1       LYS  18  -7.029 -14.282   1.955
  124   2HZ   LYS  18          HZ2       LYS  18  -7.993 -15.329   2.818
  125   3HZ   LYS  18          HZ3       LYS  18  -8.171 -13.685   2.839
  126    H    ALA  19           H        ALA  19  -3.493  -9.936   3.486
  127    HA   ALA  19           HA       ALA  19  -2.793 -10.490   6.122
  128   1HB   ALA  19          HB1       ALA  19  -0.473 -10.425   5.308
  129   2HB   ALA  19          HB2       ALA  19  -1.538 -11.237   4.139
  130   3HB   ALA  19          HB3       ALA  19  -0.997  -9.568   3.847
  131    H    HIS  20           HN       HIS  20  -2.435  -7.374   4.364
  132    HA   HIS  20           HA       HIS  20  -1.225  -5.952   6.560
  133   1HB   HIS  20          HB2       HIS  20  -2.728  -5.141   4.064
  134   2HB   HIS  20          HB3       HIS  20  -2.551  -3.999   5.362
  135    HD1  HIS  20           HND      HIS  20   0.216  -6.453   4.305
  136    HD2  HIS  20           HD       HIS  20  -0.741  -2.362   4.378
  137    HE1  HIS  20           HE       HIS  20   2.329  -5.234   3.758
  138    H    ALA  21           H        ALA  21  -4.706  -6.366   5.623
  139    HA   ALA  21           HA       ALA  21  -5.716  -4.850   7.765
  140   1HB   ALA  21          HB1       ALA  21  -7.076  -5.486   5.847
  141   2HB   ALA  21          HB2       ALA  21  -7.044  -7.189   6.356
  142   3HB   ALA  21          HB3       ALA  21  -7.839  -5.970   7.371
  143    H    GLU  22           H        GLU  22  -4.945  -8.343   7.680
  144    HA   GLU  22           HA       GLU  22  -5.970  -9.033  10.198
  145   1HB   GLU  22          HB2       GLU  22  -3.603 -10.172   8.673
  146   2HB   GLU  22          HB3       GLU  22  -4.293 -10.888  10.135
  147   1HG   GLU  22          HG2       GLU  22  -6.496 -10.933   8.931
  148   2HG   GLU  22          HG3       GLU  22  -5.671 -10.483   7.442
  149    H    LYS  23           H        LYS  23  -2.982  -7.193   9.573
  150    HA   LYS  23           HA       LYS  23  -2.298  -7.226  12.471
  151   1HB   LYS  23          HB2       LYS  23  -0.446  -7.522  11.090
  152   2HB   LYS  23          HB3       LYS  23  -0.945  -6.305   9.914
  153   1HG   LYS  23          HG2       LYS  23  -0.481  -4.527  11.347
  154   2HG   LYS  23          HG3       LYS  23  -0.318  -5.549  12.786
  155   1HD   LYS  23          HD2       LYS  23   1.547  -5.858  10.384
  156   2HD   LYS  23          HD3       LYS  23   1.839  -4.614  11.605
  157   1HE   LYS  23          HE2       LYS  23   1.927  -6.289  13.393
  158   2HE   LYS  23          HE3       LYS  23   1.606  -7.597  12.241
  159   1HZ   LYS  23          HZ1       LYS  23   4.069  -7.046  12.819
  160   2HZ   LYS  23          HZ2       LYS  23   3.676  -7.281  11.232
  161   3HZ   LYS  23          HZ3       LYS  23   3.870  -5.814  11.704
  162    H    LEU  24           H        LEU  24  -3.216  -5.040   9.843
  163    HA   LEU  24           HA       LEU  24  -3.138  -2.644  11.518
  164   1HB   LEU  24          HB2       LEU  24  -3.742  -3.109   8.584
  165   2HB   LEU  24          HB3       LEU  24  -3.533  -1.547   9.358
  166    HG   LEU  24           HG       LEU  24  -1.361  -3.667   9.215
  167   1HD1  LEU  24          HD1       LEU  24  -0.397  -2.234   7.480
  168   2HD1  LEU  24          HD1       LEU  24  -2.008  -2.792   7.019
  169   3HD1  LEU  24          HD1       LEU  24  -1.801  -1.137   7.587
  170   1HD2  LEU  24          HD2       LEU  24  -1.003  -2.136  11.126
  171   2HD2  LEU  24          HD2       LEU  24   0.120  -1.744   9.822
  172   3HD2  LEU  24          HD2       LEU  24  -1.316  -0.735  10.082
  173    H    GLY  25           H        GLY  25  -5.673  -3.375   9.100
  174   1HA   GLY  25          HA2       GLY  25  -7.864  -4.097  10.371
  175   2HA   GLY  25          HA3       GLY  25  -7.774  -2.366  10.797
  176    H    CYS  26           HN       CYS  26  -9.606  -2.124   9.495
  177    HA   CYS  26           HA       CYS  26  -9.116  -1.853   6.534
  178   1HB   CYS  26          HB2       CYS  26 -11.741  -1.367   7.940
  179   2HB   CYS  26          HB3       CYS  26 -11.397  -1.510   6.206
  180    H    ASP  27           H        ASP  27 -10.400  -0.134   9.356
  181    HA   ASP  27           HA       ASP  27 -10.481   2.487   8.684
  182   1HB   ASP  27          HB2       ASP  27  -9.258   1.394  11.260
  183   2HB   ASP  27          HB3       ASP  27 -10.214   2.867  11.045
  184    H    ALA  28           H        ALA  28  -7.684   0.697   9.799
  185    HA   ALA  28           HA       ALA  28  -5.563   2.422   9.784
  186   1HB   ALA  28          HB1       ALA  28  -5.630  -0.458   8.791
  187   2HB   ALA  28          HB2       ALA  28  -4.210   0.434   9.428
  188   3HB   ALA  28          HB3       ALA  28  -5.561   0.023  10.490
  189    H    CYS  29           HN       CYS  29  -7.187   1.273   6.844
  190    HA   CYS  29           HA       CYS  29  -5.233   2.803   5.141
  191   1HB   CYS  29          HB2       CYS  29  -6.763   0.242   4.659
  192   2HB   CYS  29          HB3       CYS  29  -6.112   1.251   3.361
  193    H    HIS  30           HN       HIS  30  -8.347   2.845   6.439
  194    HA   HIS  30           HA       HIS  30  -9.546   4.270   4.111
  195   1HB   HIS  30          HB2       HIS  30 -10.560   1.764   5.529
  196   2HB   HIS  30          HB3       HIS  30 -11.557   2.777   4.530
  197    HD1  HIS  30           HND      HIS  30 -10.391   3.033   1.883
  198    HD2  HIS  30           HD       HIS  30  -9.758  -0.352   4.245
  199    HE1  HIS  30           HE       HIS  30 -10.012   1.057   0.265
  200    H    GLU  31           H        GLU  31  -9.417   6.181   5.224
  201    HA   GLU  31           HA       GLU  31 -10.282   6.467   7.854
  202   1HB   GLU  31          HB2       GLU  31  -9.902   8.512   5.634
  203   2HB   GLU  31          HB3       GLU  31 -10.125   8.922   7.339
  204   1HG   GLU  31          HG2       GLU  31  -8.084   7.655   7.944
  205   2HG   GLU  31          HG3       GLU  31  -7.815   7.242   6.243
  206    H    GLY  32           H        GLY  32 -12.394   5.260   7.532
  207   1HA   GLY  32          HA2       GLY  32 -14.674   5.568   8.108
  208   2HA   GLY  32          HA3       GLY  32 -14.638   7.222   7.499
  209    H    THR  33           H        THR  33 -15.681   4.111   6.859
  210    HA   THR  33           HA       THR  33 -16.837   3.152   5.215
  211    HB   THR  33           HB       THR  33 -16.817   5.819   3.779
  212    HG1  THR  33           HG1      THR  33 -18.952   5.754   4.731
  213   1HG2  THR  33          HG2       THR  33 -18.818   4.911   2.653
  214   2HG2  THR  33          HG2       THR  33 -17.382   3.975   2.221
  215   3HG2  THR  33          HG2       THR  33 -18.540   3.329   3.407
  216    HA   PRO  34           HA       PRO  34 -13.065   2.123   2.868
  217   1HB   PRO  34          HB2       PRO  34 -13.546  -0.487   2.365
  218   2HB   PRO  34          HB3       PRO  34 -13.061   0.083   3.988
  219   1HG   PRO  34          HG2       PRO  34 -15.889  -0.430   2.983
  220   2HG   PRO  34          HG3       PRO  34 -15.141  -1.061   4.484
  221   1HD   PRO  34          HD2       PRO  34 -16.698   1.127   4.478
  222   2HD   PRO  34          HD3       PRO  34 -15.226   1.073   5.503
  223    H    ALA  35           H        ALA  35 -12.653   2.156   0.695
  224    HA   ALA  35           HA       ALA  35 -14.653   1.584  -1.335
  225   1HB   ALA  35          HB1       ALA  35 -13.854   4.474  -0.738
  226   2HB   ALA  35          HB2       ALA  35 -14.825   3.936  -2.125
  227   3HB   ALA  35          HB3       ALA  35 -15.464   3.776  -0.481
  228    H    LYS  36           H        LYS  36 -13.721   2.464  -3.546
  229    HA   LYS  36           HA       LYS  36 -11.086   1.276  -3.705
  230   1HB   LYS  36          HB2       LYS  36 -12.690   2.593  -5.879
  231   2HB   LYS  36          HB3       LYS  36 -11.230   1.592  -6.047
  232   1HG   LYS  36          HG2       LYS  36 -12.285  -0.378  -5.468
  233   2HG   LYS  36          HG3       LYS  36 -13.672   0.392  -4.687
  234   1HD   LYS  36          HD2       LYS  36 -13.085   0.652  -7.661
  235   2HD   LYS  36          HD3       LYS  36 -14.049  -0.674  -6.991
  236   1HE   LYS  36          HE2       LYS  36 -15.679   0.905  -6.026
  237   2HE   LYS  36          HE3       LYS  36 -14.742   2.290  -6.599
  238   1HZ   LYS  36          HZ1       LYS  36 -15.128   1.567  -8.849
  239   2HZ   LYS  36          HZ2       LYS  36 -16.004   0.275  -8.335
  240   3HZ   LYS  36          HZ3       LYS  36 -16.556   1.801  -8.069
  241    H    ILE  37           H        ILE  37  -9.653   2.595  -2.649
  242    HA   ILE  37           HA       ILE  37  -9.185   5.392  -3.288
  243    HB   ILE  37           HB       ILE  37  -7.355   3.292  -2.060
  244   1HG1  ILE  37          HG1       ILE  37  -8.962   5.497  -0.684
  245   2HG1  ILE  37          HG1       ILE  37  -9.524   3.828  -0.805
  246   1HG2  ILE  37          HG2       ILE  37  -6.082   5.225  -3.006
  247   2HG2  ILE  37          HG2       ILE  37  -7.117   6.341  -2.098
  248   3HG2  ILE  37          HG2       ILE  37  -6.023   5.230  -1.252
  249   1HD1  ILE  37          HD1       ILE  37  -8.529   4.164   1.350
  250   2HD1  ILE  37          HD1       ILE  37  -7.539   3.023   0.418
  251   3HD1  ILE  37          HD1       ILE  37  -7.005   4.706   0.650
  252    H    ALA  38           H        ALA  38  -8.047   6.248  -5.031
  253    HA   ALA  38           HA       ALA  38  -7.212   4.414  -7.144
  254   1HB   ALA  38          HB1       ALA  38  -6.787   6.389  -8.432
  255   2HB   ALA  38          HB2       ALA  38  -8.404   6.456  -7.690
  256   3HB   ALA  38          HB3       ALA  38  -7.074   7.435  -7.016
  257    H    ILE  39           H        ILE  39  -5.372   3.402  -7.025
  258    HA   ILE  39           HA       ILE  39  -2.955   4.659  -5.821
  259    HB   ILE  39           HB       ILE  39  -3.674   1.760  -6.348
  260   1HG1  ILE  39          HG1       ILE  39  -5.125   2.669  -4.603
  261   2HG1  ILE  39          HG1       ILE  39  -3.955   1.554  -3.963
  262   1HG2  ILE  39          HG2       ILE  39  -1.324   3.112  -5.028
  263   2HG2  ILE  39          HG2       ILE  39  -1.697   1.416  -4.722
  264   3HG2  ILE  39          HG2       ILE  39  -1.288   1.941  -6.367
  265   1HD1  ILE  39          HD1       ILE  39  -2.569   3.445  -3.106
  266   2HD1  ILE  39          HD1       ILE  39  -3.771   4.592  -3.744
  267   3HD1  ILE  39          HD1       ILE  39  -4.214   3.465  -2.460
  268    H    ASP  40           H        ASP  40  -1.235   5.158  -6.970
  269    HA   ASP  40           HA       ASP  40  -0.285   3.963  -9.384
  270   1HB   ASP  40          HB2       ASP  40  -2.334   4.926 -10.352
  271   2HB   ASP  40          HB3       ASP  40  -2.027   6.476  -9.558
  272    H    LYS  41           H        LYS  41   1.145   5.726 -10.465
  273    HA   LYS  41           HA       LYS  41   3.212   6.717  -8.713
  274   1HB   LYS  41          HB2       LYS  41   3.457   5.766 -10.997
  275   2HB   LYS  41          HB3       LYS  41   2.828   7.308 -11.615
  276   1HG   LYS  41          HG2       LYS  41   4.750   8.353 -10.079
  277   2HG   LYS  41          HG3       LYS  41   5.403   6.714 -10.094
  278   1HD   LYS  41          HD2       LYS  41   4.819   8.516 -12.500
  279   2HD   LYS  41          HD3       LYS  41   6.424   8.133 -11.844
  280   1HE   LYS  41          HE2       LYS  41   6.023   5.709 -12.356
  281   2HE   LYS  41          HE3       LYS  41   4.461   6.128 -13.080
  282   1HZ   LYS  41          HZ1       LYS  41   6.107   5.831 -14.694
  283   2HZ   LYS  41          HZ2       LYS  41   5.604   7.394 -14.743
  284   3HZ   LYS  41          HZ3       LYS  41   7.080   7.009 -14.090
  285    H    LYS  42           H        LYS  42   1.252   7.867  -7.592
  286    HA   LYS  42           HA       LYS  42   1.733  10.683  -7.733
  287   1HB   LYS  42          HB2       LYS  42  -0.644  11.359  -8.288
  288   2HB   LYS  42          HB3       LYS  42   0.298  10.720  -9.629
  289   1HG   LYS  42          HG2       LYS  42  -0.842   8.434  -9.109
  290   2HG   LYS  42          HG3       LYS  42  -2.020   9.375  -8.189
  291   1HD   LYS  42          HD2       LYS  42  -1.209   9.745 -11.118
  292   2HD   LYS  42          HD3       LYS  42  -2.605   8.830 -10.607
  293   1HE   LYS  42          HE2       LYS  42  -2.293  11.802  -9.974
  294   2HE   LYS  42          HE3       LYS  42  -3.027  11.190 -11.460
  295   1HZ   LYS  42          HZ1       LYS  42  -4.706  11.601  -9.813
  296   2HZ   LYS  42          HZ2       LYS  42  -4.630   9.993 -10.154
  297   3HZ   LYS  42          HZ3       LYS  42  -3.995  10.564  -8.750
  298    H    SER  43           H        SER  43  -0.655   8.213  -6.675
  299    HA   SER  43           HA       SER  43  -0.832   9.518  -4.012
  300   1HB   SER  43          HB2       SER  43  -2.239   7.050  -5.096
  301   2HB   SER  43          HB3       SER  43  -2.451   7.755  -3.484
  302    HG   SER  43           HG       SER  43  -2.950   9.047  -5.958
  303    H    ALA  44           H        ALA  44   0.400   6.394  -5.406
  304    HA   ALA  44           HA       ALA  44   0.955   5.259  -2.860
  305   1HB   ALA  44          HB1       ALA  44   0.603   3.861  -4.716
  306   2HB   ALA  44          HB2       ALA  44   1.946   4.552  -5.622
  307   3HB   ALA  44          HB3       ALA  44   2.256   3.583  -4.164
  308    H    HIS  45           HN       HIS  45   2.660   7.642  -4.534
  309    HA   HIS  45           HA       HIS  45   5.330   6.941  -3.444
  310   1HB   HIS  45          HB2       HIS  45   4.478   8.658  -5.787
  311   2HB   HIS  45          HB3       HIS  45   6.145   8.343  -5.319
  312    HD1  HIS  45           HND      HIS  45   3.014   6.457  -6.543
  313    HD2  HIS  45           HD       HIS  45   7.108   5.843  -5.890
  314    HE1  HIS  45           HE       HIS  45   3.509   4.188  -7.429
  315    H    LYS  46           H        LYS  46   2.765   9.278  -3.143
  316    HA   LYS  46           HA       LYS  46   4.454  11.287  -1.756
  317   1HB   LYS  46          HB2       LYS  46   1.457  11.081  -2.261
  318   2HB   LYS  46          HB3       LYS  46   2.245  12.369  -1.338
  319   1HG   LYS  46          HG2       LYS  46   3.519  13.061  -3.346
  320   2HG   LYS  46          HG3       LYS  46   2.849  11.701  -4.240
  321   1HD   LYS  46          HD2       LYS  46   1.526  13.568  -4.911
  322   2HD   LYS  46          HD3       LYS  46   0.534  12.565  -3.868
  323   1HE   LYS  46          HE2       LYS  46   0.102  14.852  -3.316
  324   2HE   LYS  46          HE3       LYS  46   0.929  14.110  -1.948
  325   1HZ   LYS  46          HZ1       LYS  46   1.820  16.285  -2.487
  326   2HZ   LYS  46          HZ2       LYS  46   2.974  15.141  -2.726
  327   3HZ   LYS  46          HZ3       LYS  46   2.196  15.807  -4.014
  328    H    ASP  47           H        ASP  47   1.582   9.274  -0.990
  329    HA   ASP  47           HA       ASP  47   2.368   9.246   1.870
  330   1HB   ASP  47          HB2       ASP  47   1.212  11.414   1.238
  331   2HB   ASP  47          HB3       ASP  47  -0.249  10.463   0.896
  332    H    ALA  48           H        ALA  48  -0.390   8.349  -0.304
  333    HA   ALA  48           HA       ALA  48  -1.341   6.196   1.254
  334   1HB   ALA  48          HB1       ALA  48  -2.264   5.306  -0.838
  335   2HB   ALA  48          HB2       ALA  48  -2.497   7.064  -0.750
  336   3HB   ALA  48          HB3       ALA  48  -1.217   6.383  -1.782
  337    H    CYS  49           HN       CYS  49  -0.588   4.177   1.667
  338    HA   CYS  49           HA       CYS  49   0.930   2.568   2.071
  339   1HB   CYS  49          HB2       CYS  49   2.332   3.069  -0.528
  340   2HB   CYS  49          HB3       CYS  49   2.249   1.570   0.375
  341    H    LYS  50           H        LYS  50   2.819   5.010   0.336
  342    HA   LYS  50           HA       LYS  50   5.221   4.713   1.573
  343   1HB   LYS  50          HB2       LYS  50   3.828   6.932   0.196
  344   2HB   LYS  50          HB3       LYS  50   5.157   7.473   1.209
  345   1HG   LYS  50          HG2       LYS  50   5.589   5.156  -0.704
  346   2HG   LYS  50          HG3       LYS  50   5.544   6.815  -1.270
  347   1HD   LYS  50          HD2       LYS  50   7.835   6.197  -0.910
  348   2HD   LYS  50          HD3       LYS  50   7.351   7.523   0.148
  349   1HE   LYS  50          HE2       LYS  50   7.169   5.973   2.068
  350   2HE   LYS  50          HE3       LYS  50   7.525   4.589   1.018
  351   1HZ   LYS  50          HZ1       LYS  50   9.708   5.537   0.640
  352   2HZ   LYS  50          HZ2       LYS  50   9.363   6.831   1.588
  353   3HZ   LYS  50          HZ3       LYS  50   9.454   5.332   2.251
  354    H    THR  51           H        THR  51   2.816   7.111   2.831
  355    HA   THR  51           HA       THR  51   4.499   7.952   4.966
  356    HB   THR  51           HB       THR  51   1.598   8.383   4.429
  357    HG1  THR  51           HG1      THR  51   2.466  10.406   4.095
  358   1HG2  THR  51          HG2       THR  51   3.230   9.342   6.832
  359   2HG2  THR  51          HG2       THR  51   1.679  10.023   6.300
  360   3HG2  THR  51          HG2       THR  51   1.744   8.360   6.891
  361    H    CYS  52           HN       CYS  52   1.885   5.472   5.059
  362    HA   CYS  52           HA       CYS  52   2.297   4.844   7.835
  363   1HB   CYS  52          HB2       CYS  52   0.418   4.000   6.527
  364   2HB   CYS  52          HB3       CYS  52   1.534   2.968   5.599
  365    H    HIS  53           HN       HIS  53   3.797   3.476   4.875
  366    HA   HIS  53           HA       HIS  53   5.746   1.850   6.143
  367   1HB   HIS  53          HB2       HIS  53   5.480   3.207   3.462
  368   2HB   HIS  53          HB3       HIS  53   6.959   2.367   3.889
  369    HD1  HIS  53           HND      HIS  53   6.389   0.666   1.880
  370    HD2  HIS  53           HD       HIS  53   3.628   0.791   5.028
  371    HE1  HIS  53           HE       HIS  53   4.823  -1.334   1.567
  372    H    LYS  54           H        LYS  54   5.665   5.250   6.539
  373    HA   LYS  54           HA       LYS  54   8.597   5.647   6.799
  374   1HB   LYS  54          HB2       LYS  54   6.394   7.480   7.545
  375   2HB   LYS  54          HB3       LYS  54   8.143   7.748   7.447
  376   1HG   LYS  54          HG2       LYS  54   8.063   6.921   5.038
  377   2HG   LYS  54          HG3       LYS  54   6.321   7.041   5.184
  378   1HD   LYS  54          HD2       LYS  54   6.748   9.453   6.051
  379   2HD   LYS  54          HD3       LYS  54   8.404   9.116   5.511
  380   1HE   LYS  54          HE2       LYS  54   7.788   9.927   3.434
  381   2HE   LYS  54          HE3       LYS  54   6.826   8.460   3.245
  382   1HZ   LYS  54          HZ1       LYS  54   5.833  11.040   4.306
  383   2HZ   LYS  54          HZ2       LYS  54   5.519  10.438   2.815
  384   3HZ   LYS  54          HZ3       LYS  54   4.886   9.724   4.118
  385    H    SER  55           H        SER  55   5.627   4.988   8.724
  386    HA   SER  55           HA       SER  55   6.848   5.726  11.273
  387   1HB   SER  55          HB2       SER  55   4.140   4.543  10.567
  388   2HB   SER  55          HB3       SER  55   4.601   5.211  12.149
  389    HG   SER  55           HG       SER  55   3.502   6.746  10.763
  390    H    ASN  56           H        ASN  56   8.291   3.600  10.117
  391    HA   ASN  56           HA       ASN  56   8.470   1.678  12.168
  392   1HB   ASN  56          HB2       ASN  56   7.661  -0.323  11.076
  393   2HB   ASN  56          HB3       ASN  56   6.312   0.792  11.181
  394   1HD2  ASN  56          HD2       ASN  56   7.470  -1.488   9.194
  395   2HD2  ASN  56          HD2       ASN  56   7.050  -0.751   7.653
  396    H    ASN  57           H        ASN  57  10.072   0.018  11.565
  397    HA   ASN  57           HA       ASN  57  12.122   0.937   9.664
  398   1HB   ASN  57          HB2       ASN  57  13.283  -1.195  10.336
  399   2HB   ASN  57          HB3       ASN  57  12.986  -0.023  11.615
  400   1HD2  ASN  57          HD2       ASN  57  11.484  -0.499  13.310
  401   2HD2  ASN  57          HD2       ASN  57  10.880  -2.142  13.499
  402    H    GLY  58           H        GLY  58  10.201   0.945   8.038
  403   1HA   GLY  58          HA2       GLY  58   9.436  -1.555   6.806
  404   2HA   GLY  58          HA3       GLY  58   9.225   0.079   6.146
  405    HA   PRO  59           HA       PRO  59  12.565  -2.534   3.934
  406   1HB   PRO  59          HB2       PRO  59  11.434  -2.592   1.416
  407   2HB   PRO  59          HB3       PRO  59  11.120  -3.795   2.692
  408   1HG   PRO  59          HG2       PRO  59   9.437  -1.369   2.018
  409   2HG   PRO  59          HG3       PRO  59   8.894  -3.060   2.231
  410   1HD   PRO  59          HD2       PRO  59   8.686  -1.305   4.262
  411   2HD   PRO  59          HD3       PRO  59   9.262  -2.963   4.593
  412    H    THR  60           H        THR  60  10.836   0.427   3.061
  413    HA   THR  60           HA       THR  60  11.528   2.413   2.176
  414    HB   THR  60           HB       THR  60  14.023   1.836   3.820
  415    HG1  THR  60           HG1      THR  60  12.385   1.308   5.149
  416   1HG2  THR  60          HG2       THR  60  13.988   4.092   2.705
  417   2HG2  THR  60          HG2       THR  60  12.366   4.372   3.379
  418   3HG2  THR  60          HG2       THR  60  13.764   4.215   4.453
  419    H    LYS  61           H        LYS  61  11.846   0.702   0.163
  420    HA   LYS  61           HA       LYS  61  14.001   1.868  -1.415
  421   1HB   LYS  61          HB2       LYS  61  15.185  -0.190  -1.863
  422   2HB   LYS  61          HB3       LYS  61  15.101   0.040  -0.108
  423   1HG   LYS  61          HG2       LYS  61  12.937  -1.482  -0.310
  424   2HG   LYS  61          HG3       LYS  61  13.662  -1.976  -1.842
  425   1HD   LYS  61          HD2       LYS  61  14.794  -2.312   0.975
  426   2HD   LYS  61          HD3       LYS  61  14.161  -3.548  -0.095
  427   1HE   LYS  61          HE2       LYS  61  16.451  -3.850  -0.280
  428   2HE   LYS  61          HE3       LYS  61  16.060  -2.932  -1.740
  429   1HZ   LYS  61          HZ1       LYS  61  18.015  -2.083  -0.561
  430   2HZ   LYS  61          HZ2       LYS  61  16.825  -0.948  -0.578
  431   3HZ   LYS  61          HZ3       LYS  61  17.117  -1.804   0.789
  432    H    CYS  62           HN       CYS  62  13.413   1.804  -3.651
  433    HA   CYS  62           HA       CYS  62  10.732   1.501  -4.295
  434   1HB   CYS  62          HB2       CYS  62  12.943   0.966  -6.259
  435   2HB   CYS  62          HB3       CYS  62  11.347   1.619  -6.604
  436    H    GLY  63           H        GLY  63  13.306  -0.923  -4.941
  437   1HA   GLY  63          HA2       GLY  63  11.655  -2.953  -5.987
  438   2HA   GLY  63          HA3       GLY  63  13.221  -3.202  -5.235
  439    H    GLY  64           H        GLY  64  11.517  -1.786  -2.782
  440   1HA   GLY  64          HA2       GLY  64  10.885  -4.285  -1.396
  441   2HA   GLY  64          HA3       GLY  64  10.702  -2.623  -0.818
  442    H    CYS  65           HN       CYS  65   9.193  -2.009  -3.481
  443    HA   CYS  65           HA       CYS  65   6.546  -3.215  -2.647
  444   1HB   CYS  65          HB2       CYS  65   7.169  -0.622  -4.053
  445   2HB   CYS  65          HB3       CYS  65   5.553  -1.326  -3.861
  446    H    HIS  66           HN       HIS  66   7.863  -1.926  -5.673
  447    HA   HIS  66           HA       HIS  66   6.603  -3.948  -7.327
  448   1HB   HIS  66          HB2       HIS  66   8.904  -2.702  -8.619
  449   2HB   HIS  66          HB3       HIS  66   7.214  -2.560  -9.029
  450    HD1  HIS  66           HND      HIS  66   9.541  -1.027  -6.448
  451    HD2  HIS  66           HD       HIS  66   6.083  -0.218  -8.676
  452    HE1  HIS  66           HE       HIS  66   8.907   1.329  -5.938
  453    H    ILE  67           H        ILE  67   7.267  -6.093  -7.385
  454    HA   ILE  67           HA       ILE  67   9.612  -7.189  -6.331
  455    HB   ILE  67           HB       ILE  67   8.013  -8.077  -8.762
  456   1HG1  ILE  67          HG1       ILE  67   6.678  -7.961  -6.689
  457   2HG1  ILE  67          HG1       ILE  67   6.837  -9.581  -7.334
  458   1HG2  ILE  67          HG2       ILE  67  10.089  -9.256  -8.939
  459   2HG2  ILE  67          HG2       ILE  67  10.126  -9.605  -7.200
  460   3HG2  ILE  67          HG2       ILE  67   8.921 -10.382  -8.249
  461   1HD1  ILE  67          HD1       ILE  67   7.006  -9.569  -4.892
  462   2HD1  ILE  67          HD1       ILE  67   8.545 -10.099  -5.583
  463   3HD1  ILE  67          HD1       ILE  67   8.370  -8.446  -4.944
  464    H    LYS  68           H        LYS  68  11.762  -7.681  -7.066
  465    HA   LYS  68           HA       LYS  68  12.609  -6.655  -9.655
  466   1HB   LYS  68          HB2       LYS  68  12.802  -5.120  -7.080
  467   2HB   LYS  68          HB3       LYS  68  14.309  -5.232  -7.949
  468   1HG   LYS  68          HG2       LYS  68  12.269  -4.569  -9.911
  469   2HG   LYS  68          HG3       LYS  68  11.973  -3.599  -8.500
  470   1HD   LYS  68          HD2       LYS  68  13.481  -2.539 -10.186
  471   2HD   LYS  68          HD3       LYS  68  14.165  -2.616  -8.566
  472   1HE   LYS  68          HE2       LYS  68  15.632  -3.176 -10.688
  473   2HE   LYS  68          HE3       LYS  68  15.870  -4.052  -9.180
  474   1HZ   LYS  68          HZ1       LYS  68  14.779  -5.921  -9.994
  475   2HZ   LYS  68          HZ2       LYS  68  14.113  -5.126 -11.278
  476   3HZ   LYS  68          HZ3       LYS  68  15.723  -5.454 -11.216
  477    HHA  HEC 130           HCM      HEC  30 -10.537  -0.927  -2.950
  478    HHB  HEC 130           HDM      HEC  30 -13.456  -3.098   2.136
  479    HHC  HEC 130           HAM      HEC  30  -7.927  -3.518   5.038
  480    HHD  HEC 130           HBM      HEC  30  -5.443  -0.147   0.473
  481   1HMA  HEC 130          HM8       HEC  30 -15.040  -1.827   0.705
  482   2HMA  HEC 130          HM8       HEC  30 -15.213  -2.085  -1.037
  483   3HMA  HEC 130          HM8       HEC  30 -14.903  -3.473   0.024
  484   1HAA  HEC 130          HP7       HEC  30 -12.328  -1.879  -3.632
  485   2HAA  HEC 130          HP7       HEC  30 -13.937  -1.500  -3.024
  486   1HBA  HEC 130          HP7       HEC  30 -13.907  -3.618  -4.185
  487   2HBA  HEC 130          HP7       HEC  30 -14.286  -3.886  -2.489
  488   1HMB  HEC 130          HM1       HEC  30 -13.582  -4.828   3.770
  489   2HMB  HEC 130          HM1       HEC  30 -13.072  -4.745   5.451
  490   3HMB  HEC 130          HM1       HEC  30 -13.802  -3.326   4.705
  491    HAB  HEC 130           HT2      HEC  30  -9.361  -4.129   6.476
  492   1HBB  HEC 130          HT2       HEC  30  -9.717  -6.347   5.489
  493   2HBB  HEC 130          HT2       HEC  30 -10.291  -6.254   7.167
  494   3HBB  HEC 130          HT2       HEC  30 -11.451  -6.235   5.832
  495   1HMC  HEC 130          HM3       HEC  30  -5.741  -2.962   5.684
  496   2HMC  HEC 130          HM3       HEC  30  -5.165  -4.091   4.413
  497   3HMC  HEC 130          HM3       HEC  30  -4.271  -2.616   4.782
  498    HAC  HEC 130           HT4      HEC  30  -4.351   0.279   2.212
  499   1HBC  HEC 130          HT4       HEC  30  -2.178  -0.739   2.774
  500   2HBC  HEC 130          HT4       HEC  30  -2.974  -2.303   3.012
  501   3HBC  HEC 130          HT4       HEC  30  -3.036  -1.510   1.424
  502   1HMD  HEC 130          HM5       HEC  30  -4.791  -0.214  -1.624
  503   2HMD  HEC 130          HM5       HEC  30  -5.509   0.231  -3.170
  504   3HMD  HEC 130          HM5       HEC  30  -5.414   1.440  -1.867
  505   1HAD  HEC 130          HP6       HEC  30  -7.391   0.639  -4.290
  506   2HAD  HEC 130          HP6       HEC  30  -9.089   0.528  -4.124
  507   1HBD  HEC 130          HP6       HEC  30  -8.738  -2.079  -4.069
  508   2HBD  HEC 130          HP6       HEC  30  -7.123  -1.705  -4.661
  509    HHA  HEC 153           HCM      HEC  53   5.681  -4.773   4.913
  510    HHB  HEC 153           HDM      HEC  53   2.906  -3.587  -0.535
  511    HHC  HEC 153           HAM      HEC  53  -0.410   0.908   2.180
  512    HHD  HEC 153           HBM      HEC  53   1.862  -0.704   7.722
  513   1HMA  HEC 153          HM8       HEC  53   5.436  -4.830  -0.808
  514   2HMA  HEC 153          HM8       HEC  53   5.338  -6.395   0.023
  515   3HMA  HEC 153          HM8       HEC  53   3.880  -5.693  -0.661
  516   1HAA  HEC 153          HP7       HEC  53   7.111  -5.410   3.259
  517   2HAA  HEC 153          HP7       HEC  53   6.982  -5.927   1.594
  518   1HBA  HEC 153          HP7       HEC  53   5.384  -7.693   2.233
  519   2HBA  HEC 153          HP7       HEC  53   5.470  -7.172   3.920
  520   1HMB  HEC 153          HM1       HEC  53   2.559  -2.003  -2.073
  521   2HMB  HEC 153          HM1       HEC  53   0.821  -2.328  -2.268
  522   3HMB  HEC 153          HM1       HEC  53   1.467  -0.664  -2.365
  523    HAB  HEC 153           HT2      HEC  53  -1.184   0.757   0.289
  524   1HBB  HEC 153          HT2       HEC  53  -1.670  -1.139  -1.251
  525   2HBB  HEC 153          HT2       HEC  53  -2.100   0.489  -1.808
  526   3HBB  HEC 153          HT2       HEC  53  -0.688  -0.309  -2.472
  527   1HMC  HEC 153          HM3       HEC  53  -0.861   2.965   4.719
  528   2HMC  HEC 153          HM3       HEC  53  -1.640   1.961   3.494
  529   3HMC  HEC 153          HM3       HEC  53  -2.134   1.805   5.142
  530    HAC  HEC 153           HT4      HEC  53  -0.058   0.321   8.107
  531   1HBC  HEC 153          HT4       HEC  53  -1.444   2.788   7.038
  532   2HBC  HEC 153          HT4       HEC  53  -2.213   1.206   7.309
  533   3HBC  HEC 153          HT4       HEC  53  -1.498   2.100   8.649
  534   1HMD  HEC 153          HM5       HEC  53   3.875  -1.075   9.130
  535   2HMD  HEC 153          HM5       HEC  53   2.695  -2.391   9.371
  536   3HMD  HEC 153          HM5       HEC  53   4.416  -2.700   9.567
  537   1HAD  HEC 153          HP6       HEC  53   5.888  -3.947   8.553
  538   2HAD  HEC 153          HP6       HEC  53   6.388  -4.565   7.006
  539   1HBD  HEC 153          HP6       HEC  53   5.445  -6.509   7.510
  540   2HBD  HEC 153          HP6       HEC  53   3.866  -5.749   7.365
  541    HHA  HEC 166           HCM      HEC  66   3.489   2.114 -10.382
  542    HHB  HEC 166           HDM      HEC  66   9.478   3.879 -10.088
  543    HHC  HEC 166           HAM      HEC  66   9.131   3.938  -3.867
  544    HHD  HEC 166           HBM      HEC  66   3.703   0.891  -4.313
  545   1HMA  HEC 166          HM8       HEC  66   8.849   2.872 -12.451
  546   2HMA  HEC 166          HM8       HEC  66   7.600   3.810 -13.261
  547   3HMA  HEC 166          HM8       HEC  66   8.645   4.610 -12.109
  548   1HAA  HEC 166          HP7       HEC  66   4.665   3.828 -12.852
  549   2HAA  HEC 166          HP7       HEC  66   4.102   2.269 -12.364
  550   1HBA  HEC 166          HP7       HEC  66   4.963   1.327 -14.065
  551   2HBA  HEC 166          HP7       HEC  66   6.579   1.642 -13.466
  552   1HMB  HEC 166          HM1       HEC  66  11.268   5.322  -9.198
  553   2HMB  HEC 166          HM1       HEC  66  12.382   4.777  -7.943
  554   3HMB  HEC 166          HM1       HEC  66  11.752   3.609  -9.108
  555    HAB  HEC 166           HT2      HEC  66  11.163   4.032  -4.293
  556   1HBB  HEC 166          HT2       HEC  66  12.754   5.847  -4.455
  557   2HBB  HEC 166          HT2       HEC  66  12.304   6.155  -6.137
  558   3HBB  HEC 166          HT2       HEC  66  11.128   6.442  -4.844
  559   1HMC  HEC 166          HM3       HEC  66   7.895   1.706  -1.221
  560   2HMC  HEC 166          HM3       HEC  66   9.082   2.550  -2.166
  561   3HMC  HEC 166          HM3       HEC  66   7.818   3.482  -1.317
  562    HAC  HEC 166           HT4      HEC  66   4.393   0.477  -2.396
  563   1HBC  HEC 166          HT4       HEC  66   5.950   1.938  -0.257
  564   2HBC  HEC 166          HT4       HEC  66   4.467   2.535  -1.009
  565   3HBC  HEC 166          HT4       HEC  66   4.462   0.996  -0.119
  566   1HMD  HEC 166          HM5       HEC  66   1.757  -0.201  -5.200
  567   2HMD  HEC 166          HM5       HEC  66   1.190   1.476  -5.172
  568   3HMD  HEC 166          HM5       HEC  66   0.659   0.376  -6.448
  569   1HAD  HEC 166          HP6       HEC  66   1.506   1.497  -9.892
  570   2HAD  HEC 166          HP6       HEC  66   0.494   1.408  -8.490
  571   1HBD  HEC 166          HP6       HEC  66   0.500  -0.867  -8.511
  572   2HBD  HEC 166          HP6       HEC  66   2.215  -0.945  -8.962
  Start of MODEL    7
    1   1H    ALA   1          H1        ALA   1  -8.721  -9.779  -5.174
    2   2H    ALA   1          H2        ALA   1 -10.151  -8.966  -5.356
    3   3H    ALA   1          H3        ALA   1  -8.882  -8.276  -4.540
    4    HA   ALA   1           HA       ALA   1 -10.623  -9.045  -3.064
    5   1HB   ALA   1          HB1       ALA   1  -9.679 -11.809  -3.942
    6   2HB   ALA   1          HB2       ALA   1 -10.918 -11.433  -2.721
    7   3HB   ALA   1          HB3       ALA   1 -11.215 -11.053  -4.420
    8    H    ASP   2           H        ASP   2  -9.269 -11.388  -1.488
    9    HA   ASP   2           HA       ASP   2  -8.032 -10.114   0.370
   10   1HB   ASP   2          HB2       ASP   2  -7.254 -12.824  -0.791
   11   2HB   ASP   2          HB3       ASP   2  -6.858 -12.293   0.849
   12    H    VAL   3           H        VAL   3  -6.085 -11.336  -2.363
   13    HA   VAL   3           HA       VAL   3  -3.978  -9.295  -1.719
   14    HB   VAL   3           HB       VAL   3  -3.579 -12.047  -2.950
   15   1HG1  VAL   3          HG1       VAL   3  -1.596  -9.855  -2.167
   16   2HG1  VAL   3          HG1       VAL   3  -1.170 -11.486  -2.723
   17   3HG1  VAL   3          HG1       VAL   3  -1.979 -10.367  -3.827
   18   1HG2  VAL   3          HG2       VAL   3  -4.014 -12.242  -0.528
   19   2HG2  VAL   3          HG2       VAL   3  -2.301 -12.509  -0.857
   20   3HG2  VAL   3          HG2       VAL   3  -2.838 -10.952  -0.195
   21    H    VAL   4           H        VAL   4  -3.936  -7.731  -3.200
   22    HA   VAL   4           HA       VAL   4  -4.768  -8.298  -6.026
   23    HB   VAL   4           HB       VAL   4  -4.590  -5.636  -4.557
   24   1HG1  VAL   4          HG1       VAL   4  -5.493  -6.366  -7.379
   25   2HG1  VAL   4          HG1       VAL   4  -5.744  -4.784  -6.622
   26   3HG1  VAL   4          HG1       VAL   4  -4.101  -5.353  -6.937
   27   1HG2  VAL   4          HG2       VAL   4  -6.983  -5.464  -4.750
   28   2HG2  VAL   4          HG2       VAL   4  -7.075  -7.107  -5.438
   29   3HG2  VAL   4          HG2       VAL   4  -6.535  -6.857  -3.756
   30    H    THR   5           H        THR   5  -3.253  -7.614  -7.673
   31    HA   THR   5           HA       THR   5  -0.519  -6.809  -6.780
   32    HB   THR   5           HB       THR   5  -1.308  -9.377  -8.183
   33    HG1  THR   5           HG1      THR   5   0.791  -8.967  -6.356
   34   1HG2  THR   5          HG2       THR   5   1.017  -9.784  -8.720
   35   2HG2  THR   5          HG2       THR   5   0.474  -8.359  -9.619
   36   3HG2  THR   5          HG2       THR   5   1.474  -8.167  -8.147
   37    H    TYR   6           H        TYR   6   0.021  -5.075  -7.831
   38    HA   TYR   6           HA       TYR   6  -1.338  -4.350 -10.330
   39   1HB   TYR   6          HB2       TYR   6   0.439  -2.866  -8.365
   40   2HB   TYR   6          HB3       TYR   6   0.223  -2.346  -9.981
   41    HD1  TYR   6           HD1      TYR   6  -2.199  -3.972  -7.564
   42    HD2  TYR   6           HD2      TYR   6  -1.377  -0.493  -9.977
   43    HE1  TYR   6           HE1      TYR   6  -4.356  -2.973  -6.898
   44    HE2  TYR   6           HE2      TYR   6  -3.505   0.528  -9.203
   45    HH   TYR   6           HH       TYR   6  -5.420   0.270  -7.530
   46    H    GLU   7           H        GLU   7  -0.597  -5.759 -11.843
   47    HA   GLU   7           HA       GLU   7   2.124  -6.421 -12.289
   48   1HB   GLU   7          HB2       GLU   7  -0.321  -6.785 -14.032
   49   2HB   GLU   7          HB3       GLU   7   1.244  -7.587 -14.248
   50   1HG   GLU   7          HG2       GLU   7   0.995  -8.492 -11.944
   51   2HG   GLU   7          HG3       GLU   7  -0.641  -7.817 -11.832
   52    H    ASN   8           H        ASN   8   3.117  -4.297 -12.283
   53    HA   ASN   8           HA       ASN   8   2.848  -2.782 -14.835
   54   1HB   ASN   8          HB2       ASN   8   3.691  -0.889 -13.646
   55   2HB   ASN   8          HB3       ASN   8   2.389  -1.615 -12.716
   56   1HD2  ASN   8          HD2       ASN   8   2.996  -2.851 -10.721
   57   2HD2  ASN   8          HD2       ASN   8   4.642  -2.717 -10.090
   58    H    ALA   9           H        ALA   9   4.770  -1.711 -15.604
   59    HA   ALA   9           HA       ALA   9   6.714  -3.609 -16.420
   60   1HB   ALA   9          HB1       ALA   9   6.026  -1.664 -17.751
   61   2HB   ALA   9          HB2       ALA   9   6.774  -0.572 -16.560
   62   3HB   ALA   9          HB3       ALA   9   7.787  -1.686 -17.511
   63    H    ALA  10           H        ALA  10   6.727  -1.529 -13.567
   64    HA   ALA  10           HA       ALA  10   9.683  -1.779 -13.273
   65   1HB   ALA  10          HB1       ALA  10   9.450  -0.049 -11.603
   66   2HB   ALA  10          HB2       ALA  10   8.617   0.438 -13.093
   67   3HB   ALA  10          HB3       ALA  10   7.680  -0.129 -11.695
   68    H    GLY  11           H        GLY  11   7.621  -4.046 -12.835
   69   1HA   GLY  11          HA2       GLY  11   8.087  -5.961 -11.364
   70   2HA   GLY  11          HA3       GLY  11   8.729  -4.879 -10.165
   71    H    ASN  12           H        ASN  12   6.264  -6.870 -10.411
   72    HA   ASN  12           HA       ASN  12   4.034  -5.069  -9.814
   73   1HB   ASN  12          HB2       ASN  12   2.727  -6.974  -9.399
   74   2HB   ASN  12          HB3       ASN  12   3.528  -7.092 -10.941
   75   1HD2  ASN  12          HD2       ASN  12   2.614  -9.491 -10.103
   76   2HD2  ASN  12          HD2       ASN  12   3.980 -10.463  -9.576
   77    H    VAL  13           H        VAL  13   3.000  -4.942  -7.845
   78    HA   VAL  13           HA       VAL  13   5.067  -4.636  -5.769
   79    HB   VAL  13           HB       VAL  13   4.609  -2.614  -6.622
   80   1HG1  VAL  13          HG1       VAL  13   1.674  -3.291  -6.545
   81   2HG1  VAL  13          HG1       VAL  13   2.333  -1.660  -6.865
   82   3HG1  VAL  13          HG1       VAL  13   2.692  -2.968  -7.982
   83   1HG2  VAL  13          HG2       VAL  13   3.697  -1.354  -4.816
   84   2HG2  VAL  13          HG2       VAL  13   2.664  -2.704  -4.310
   85   3HG2  VAL  13          HG2       VAL  13   4.429  -2.779  -4.074
   86    H    THR  14           H        THR  14   1.981  -6.172  -6.076
   87    HA   THR  14           HA       THR  14   0.664  -7.253  -4.629
   88    HB   THR  14           HB       THR  14   3.350  -7.739  -3.478
   89    HG1  THR  14           HG1      THR  14   1.199  -9.463  -4.034
   90   1HG2  THR  14          HG2       THR  14   2.167  -7.630  -1.346
   91   2HG2  THR  14          HG2       THR  14   0.770  -8.500  -2.020
   92   3HG2  THR  14          HG2       THR  14   2.331  -9.317  -1.818
   93    H    PHE  15           H        PHE  15  -0.848  -6.028  -4.163
   94    HA   PHE  15           HA       PHE  15  -0.909  -4.167  -1.828
   95   1HB   PHE  15          HB2       PHE  15  -2.687  -4.818  -4.182
   96   2HB   PHE  15          HB3       PHE  15  -3.340  -4.029  -2.746
   97    HD1  PHE  15           HD1      PHE  15  -0.085  -3.424  -4.600
   98    HD2  PHE  15           HD2      PHE  15  -4.062  -2.044  -3.661
   99    HE1  PHE  15           HE1      PHE  15   0.191  -1.519  -6.129
  100    HE2  PHE  15           HE2      PHE  15  -3.785  -0.217  -5.258
  101    HZ   PHE  15           HZ       PHE  15  -1.652   0.055  -6.498
  102    H    ASP  16           H        ASP  16  -0.853  -5.655  -0.066
  103    HA   ASP  16           HA       ASP  16  -2.601  -7.983   0.079
  104   1HB   ASP  16          HB2       ASP  16  -1.281  -6.219   2.153
  105   2HB   ASP  16          HB3       ASP  16  -2.086  -7.775   2.448
  106    H    HIS  17           HN       HIS  17  -4.836  -7.611  -0.091
  107    HA   HIS  17           HA       HIS  17  -5.934  -5.114   0.985
  108   1HB   HIS  17          HB2       HIS  17  -6.756  -6.679  -1.048
  109   2HB   HIS  17          HB3       HIS  17  -7.741  -7.404   0.220
  110    HD1  HIS  17           HND      HIS  17  -8.599  -5.254  -2.286
  111    HD2  HIS  17           HD       HIS  17  -8.070  -4.513   1.798
  112    HE1  HIS  17           HE       HIS  17  -9.543  -2.955  -1.849
  113    H    LYS  18           H        LYS  18  -6.052  -8.557   1.608
  114    HA   LYS  18           HA       LYS  18  -7.369  -8.256   4.227
  115   1HB   LYS  18          HB2       LYS  18  -8.155  -9.715   2.485
  116   2HB   LYS  18          HB3       LYS  18  -6.688 -10.694   2.547
  117   1HG   LYS  18          HG2       LYS  18  -8.446 -10.315   5.017
  118   2HG   LYS  18          HG3       LYS  18  -8.970 -11.350   3.681
  119   1HD   LYS  18          HD2       LYS  18  -6.720 -12.562   3.852
  120   2HD   LYS  18          HD3       LYS  18  -6.525 -11.749   5.428
  121   1HE   LYS  18          HE2       LYS  18  -8.803 -12.680   6.076
  122   2HE   LYS  18          HE3       LYS  18  -8.846 -13.543   4.523
  123   1HZ   LYS  18          HZ1       LYS  18  -6.872 -13.904   6.683
  124   2HZ   LYS  18          HZ2       LYS  18  -8.059 -14.954   6.307
  125   3HZ   LYS  18          HZ3       LYS  18  -6.820 -14.701   5.243
  126    H    ALA  19           H        ALA  19  -4.281  -9.704   2.982
  127    HA   ALA  19           HA       ALA  19  -3.393 -10.655   5.502
  128   1HB   ALA  19          HB1       ALA  19  -1.715  -9.776   3.127
  129   2HB   ALA  19          HB2       ALA  19  -1.183 -10.799   4.464
  130   3HB   ALA  19          HB3       ALA  19  -2.443 -11.381   3.351
  131    H    HIS  20           HN       HIS  20  -2.909  -7.408   4.063
  132    HA   HIS  20           HA       HIS  20  -1.269  -6.446   6.268
  133   1HB   HIS  20          HB2       HIS  20  -2.667  -5.221   3.918
  134   2HB   HIS  20          HB3       HIS  20  -2.477  -4.225   5.338
  135    HD1  HIS  20           HND      HIS  20   0.224  -6.575   3.744
  136    HD2  HIS  20           HD       HIS  20  -0.628  -2.525   4.596
  137    HE1  HIS  20           HE       HIS  20   2.277  -5.320   3.263
  138    H    ALA  21           H        ALA  21  -4.784  -6.299   5.460
  139    HA   ALA  21           HA       ALA  21  -5.705  -4.873   7.665
  140   1HB   ALA  21          HB1       ALA  21  -7.074  -5.526   5.725
  141   2HB   ALA  21          HB2       ALA  21  -7.158  -7.187   6.347
  142   3HB   ALA  21          HB3       ALA  21  -7.838  -5.867   7.298
  143    H    GLU  22           H        GLU  22  -5.138  -8.414   7.488
  144    HA   GLU  22           HA       GLU  22  -6.015  -9.225   9.969
  145   1HB   GLU  22          HB2       GLU  22  -3.559 -10.059   8.391
  146   2HB   GLU  22          HB3       GLU  22  -4.175 -10.985   9.751
  147   1HG   GLU  22          HG2       GLU  22  -6.165 -10.355   7.579
  148   2HG   GLU  22          HG3       GLU  22  -4.865 -11.500   7.206
  149    H    LYS  23           H        LYS  23  -3.007  -7.451   9.267
  150    HA   LYS  23           HA       LYS  23  -2.135  -7.476  12.115
  151   1HB   LYS  23          HB2       LYS  23  -0.831  -7.168   9.529
  152   2HB   LYS  23          HB3       LYS  23  -0.548  -5.727  10.501
  153   1HG   LYS  23          HG2       LYS  23   0.292  -7.136  12.364
  154   2HG   LYS  23          HG3       LYS  23   0.052  -8.583  11.363
  155   1HD   LYS  23          HD2       LYS  23   1.637  -7.742   9.684
  156   2HD   LYS  23          HD3       LYS  23   1.802  -6.203  10.550
  157   1HE   LYS  23          HE2       LYS  23   2.817  -7.373  12.489
  158   2HE   LYS  23          HE3       LYS  23   2.635  -8.923  11.655
  159   1HZ   LYS  23          HZ1       LYS  23   4.423  -6.688  10.735
  160   2HZ   LYS  23          HZ2       LYS  23   4.875  -8.071  11.405
  161   3HZ   LYS  23          HZ3       LYS  23   4.158  -8.073   9.936
  162    H    LEU  24           H        LEU  24  -3.336  -5.276   9.632
  163    HA   LEU  24           HA       LEU  24  -3.064  -2.818  11.208
  164   1HB   LEU  24          HB2       LEU  24  -4.162  -3.423   8.461
  165   2HB   LEU  24          HB3       LEU  24  -3.974  -1.844   9.192
  166    HG   LEU  24           HG       LEU  24  -1.737  -3.761   8.456
  167   1HD1  LEU  24          HD1       LEU  24  -1.124  -2.048   6.860
  168   2HD1  LEU  24          HD1       LEU  24  -2.848  -2.415   6.631
  169   3HD1  LEU  24          HD1       LEU  24  -2.361  -0.943   7.479
  170   1HD2  LEU  24          HD2       LEU  24  -1.578  -1.091   9.914
  171   2HD2  LEU  24          HD2       LEU  24  -0.971  -2.670  10.476
  172   3HD2  LEU  24          HD2       LEU  24  -0.205  -1.872   9.102
  173    H    GLY  25           H        GLY  25  -5.971  -4.460   9.880
  174   1HA   GLY  25          HA2       GLY  25  -8.004  -4.567  11.029
  175   2HA   GLY  25          HA3       GLY  25  -7.620  -3.136  11.971
  176    H    CYS  26           HN       CYS  26  -7.442  -3.236   8.464
  177    HA   CYS  26           HA       CYS  26  -8.417  -2.110   6.763
  178   1HB   CYS  26          HB2       CYS  26 -10.836  -1.778   8.484
  179   2HB   CYS  26          HB3       CYS  26 -10.749  -1.562   6.733
  180    H    ASP  27           H        ASP  27  -9.251  -0.522   9.824
  181    HA   ASP  27           HA       ASP  27  -9.733   2.082   9.224
  182   1HB   ASP  27          HB2       ASP  27  -8.983   2.517  11.498
  183   2HB   ASP  27          HB3       ASP  27  -9.947   1.040  11.412
  184    H    ALA  28           H        ALA  28  -6.592   0.671   9.861
  185    HA   ALA  28           HA       ALA  28  -4.748   2.636   9.545
  186   1HB   ALA  28          HB1       ALA  28  -3.232   0.844   8.849
  187   2HB   ALA  28          HB2       ALA  28  -4.408   0.170   9.994
  188   3HB   ALA  28          HB3       ALA  28  -4.627  -0.085   8.241
  189    H    CYS  29           HN       CYS  29  -6.614   1.274   6.809
  190    HA   CYS  29           HA       CYS  29  -5.110   3.030   4.871
  191   1HB   CYS  29          HB2       CYS  29  -6.604   0.437   4.459
  192   2HB   CYS  29          HB3       CYS  29  -5.919   1.463   3.194
  193    H    HIS  30           HN       HIS  30  -7.935   2.984   6.653
  194    HA   HIS  30           HA       HIS  30  -9.632   4.275   4.596
  195   1HB   HIS  30          HB2       HIS  30 -10.032   1.514   5.823
  196   2HB   HIS  30          HB3       HIS  30 -11.324   2.411   5.058
  197    HD1  HIS  30           HND      HIS  30  -9.720   3.265   2.408
  198    HD2  HIS  30           HD       HIS  30  -9.755  -0.464   4.229
  199    HE1  HIS  30           HE       HIS  30  -9.546   1.527   0.499
  200    H    GLU  31           H        GLU  31 -10.191   6.037   5.744
  201    HA   GLU  31           HA       GLU  31 -10.593   5.989   8.510
  202   1HB   GLU  31          HB2       GLU  31 -11.359   8.322   8.203
  203   2HB   GLU  31          HB3       GLU  31  -9.824   7.925   7.425
  204   1HG   GLU  31          HG2       GLU  31 -11.040   7.740   5.205
  205   2HG   GLU  31          HG3       GLU  31 -12.510   8.284   6.024
  206    H    GLY  32           H        GLY  32 -12.038   4.121   8.650
  207   1HA   GLY  32          HA2       GLY  32 -14.038   3.443   9.636
  208   2HA   GLY  32          HA3       GLY  32 -14.744   5.037   9.351
  209    H    THR  33           H        THR  33 -14.881   5.449   6.787
  210    HA   THR  33           HA       THR  33 -16.559   3.269   5.657
  211    HB   THR  33           HB       THR  33 -16.134   6.126   4.731
  212    HG1  THR  33           HG1      THR  33 -18.270   4.826   6.068
  213   1HG2  THR  33          HG2       THR  33 -16.830   4.681   2.838
  214   2HG2  THR  33          HG2       THR  33 -18.108   3.960   3.841
  215   3HG2  THR  33          HG2       THR  33 -18.189   5.673   3.388
  216    HA   PRO  34           HA       PRO  34 -12.742   2.500   3.195
  217   1HB   PRO  34          HB2       PRO  34 -13.212  -0.019   2.400
  218   2HB   PRO  34          HB3       PRO  34 -12.762   0.328   4.095
  219   1HG   PRO  34          HG2       PRO  34 -15.567  -0.052   2.978
  220   2HG   PRO  34          HG3       PRO  34 -14.843  -0.871   4.393
  221   1HD   PRO  34          HD2       PRO  34 -16.401   1.329   4.645
  222   2HD   PRO  34          HD3       PRO  34 -14.972   1.089   5.696
  223    H    ALA  35           H        ALA  35 -12.369   2.512   0.936
  224    HA   ALA  35           HA       ALA  35 -14.503   2.251  -1.002
  225   1HB   ALA  35          HB1       ALA  35 -13.511   5.045  -0.265
  226   2HB   ALA  35          HB2       ALA  35 -14.577   4.655  -1.633
  227   3HB   ALA  35          HB3       ALA  35 -15.146   4.422   0.026
  228    H    LYS  36           H        LYS  36 -13.721   2.987  -3.211
  229    HA   LYS  36           HA       LYS  36 -11.061   1.954  -3.568
  230   1HB   LYS  36          HB2       LYS  36 -11.417   1.964  -5.863
  231   2HB   LYS  36          HB3       LYS  36 -12.819   1.300  -5.038
  232   1HG   LYS  36          HG2       LYS  36 -14.150   2.674  -6.194
  233   2HG   LYS  36          HG3       LYS  36 -13.473   4.017  -5.288
  234   1HD   LYS  36          HD2       LYS  36 -11.509   3.721  -7.217
  235   2HD   LYS  36          HD3       LYS  36 -12.875   3.010  -8.072
  236   1HE   LYS  36          HE2       LYS  36 -12.992   5.302  -8.676
  237   2HE   LYS  36          HE3       LYS  36 -14.185   5.162  -7.377
  238   1HZ   LYS  36          HZ1       LYS  36 -12.189   5.783  -5.896
  239   2HZ   LYS  36          HZ2       LYS  36 -11.461   6.271  -7.260
  240   3HZ   LYS  36          HZ3       LYS  36 -12.863   7.007  -6.799
  241    H    ILE  37           H        ILE  37  -9.602   3.251  -2.696
  242    HA   ILE  37           HA       ILE  37  -9.253   6.080  -3.487
  243    HB   ILE  37           HB       ILE  37  -7.613   4.234  -1.740
  244   1HG1  ILE  37          HG1       ILE  37  -9.323   6.576  -0.812
  245   2HG1  ILE  37          HG1       ILE  37 -10.052   4.984  -1.027
  246   1HG2  ILE  37          HG2       ILE  37  -7.439   7.263  -2.190
  247   2HG2  ILE  37          HG2       ILE  37  -6.546   6.385  -0.938
  248   3HG2  ILE  37          HG2       ILE  37  -6.193   6.083  -2.628
  249   1HD1  ILE  37          HD1       ILE  37  -7.681   5.547   0.766
  250   2HD1  ILE  37          HD1       ILE  37  -9.354   5.218   1.264
  251   3HD1  ILE  37          HD1       ILE  37  -8.404   3.956   0.440
  252    H    ALA  38           H        ALA  38  -8.931   5.865  -5.648
  253    HA   ALA  38           HA       ALA  38  -7.582   4.041  -7.149
  254   1HB   ALA  38          HB1       ALA  38  -7.335   5.660  -8.914
  255   2HB   ALA  38          HB2       ALA  38  -8.920   5.816  -8.127
  256   3HB   ALA  38          HB3       ALA  38  -7.632   7.000  -7.779
  257    H    ILE  39           H        ILE  39  -5.656   3.140  -7.055
  258    HA   ILE  39           HA       ILE  39  -3.358   4.740  -6.128
  259    HB   ILE  39           HB       ILE  39  -3.608   1.782  -6.568
  260   1HG1  ILE  39          HG1       ILE  39  -5.092   2.614  -4.805
  261   2HG1  ILE  39          HG1       ILE  39  -3.815   1.664  -4.135
  262   1HG2  ILE  39          HG2       ILE  39  -1.510   1.953  -5.000
  263   2HG2  ILE  39          HG2       ILE  39  -1.303   2.325  -6.728
  264   3HG2  ILE  39          HG2       ILE  39  -1.463   3.638  -5.554
  265   1HD1  ILE  39          HD1       ILE  39  -3.998   4.706  -4.039
  266   2HD1  ILE  39          HD1       ILE  39  -4.173   3.570  -2.706
  267   3HD1  ILE  39          HD1       ILE  39  -2.592   3.772  -3.473
  268    H    ASP  40           H        ASP  40  -1.985   5.703  -7.360
  269    HA   ASP  40           HA       ASP  40  -0.730   4.356  -9.644
  270   1HB   ASP  40          HB2       ASP  40  -2.622   5.475 -10.749
  271   2HB   ASP  40          HB3       ASP  40  -2.345   6.963  -9.815
  272    H    LYS  41           H        LYS  41   0.878   6.091 -10.511
  273    HA   LYS  41           HA       LYS  41   2.687   6.846  -8.364
  274   1HB   LYS  41          HB2       LYS  41   4.241   7.470 -10.127
  275   2HB   LYS  41          HB3       LYS  41   3.498   5.896 -10.411
  276   1HG   LYS  41          HG2       LYS  41   1.785   7.358 -11.889
  277   2HG   LYS  41          HG3       LYS  41   3.124   8.493 -11.921
  278   1HD   LYS  41          HD2       LYS  41   4.602   6.794 -12.898
  279   2HD   LYS  41          HD3       LYS  41   3.382   5.530 -12.637
  280   1HE   LYS  41          HE2       LYS  41   1.823   6.594 -14.178
  281   2HE   LYS  41          HE3       LYS  41   2.979   7.903 -14.500
  282   1HZ   LYS  41          HZ1       LYS  41   3.549   5.027 -15.011
  283   2HZ   LYS  41          HZ2       LYS  41   3.031   6.066 -16.172
  284   3HZ   LYS  41          HZ3       LYS  41   4.487   6.248 -15.421
  285    H    LYS  42           H        LYS  42   0.561   8.139  -7.736
  286    HA   LYS  42           HA       LYS  42   1.285  10.980  -7.720
  287   1HB   LYS  42          HB2       LYS  42  -1.449  10.013  -8.699
  288   2HB   LYS  42          HB3       LYS  42  -1.078  11.662  -8.170
  289   1HG   LYS  42          HG2       LYS  42   0.675  11.790  -9.978
  290   2HG   LYS  42          HG3       LYS  42   0.103  10.214 -10.573
  291   1HD   LYS  42          HD2       LYS  42  -2.147  11.080 -10.902
  292   2HD   LYS  42          HD3       LYS  42  -1.690  12.661 -10.223
  293   1HE   LYS  42          HE2       LYS  42  -0.063  13.005 -12.060
  294   2HE   LYS  42          HE3       LYS  42  -0.450  11.407 -12.722
  295   1HZ   LYS  42          HZ1       LYS  42  -2.693  12.161 -13.101
  296   2HZ   LYS  42          HZ2       LYS  42  -2.363  13.643 -12.468
  297   3HZ   LYS  42          HZ3       LYS  42  -1.640  13.165 -13.865
  298    H    SER  43           H        SER  43  -1.185   8.508  -6.799
  299    HA   SER  43           HA       SER  43  -1.570   9.617  -4.123
  300   1HB   SER  43          HB2       SER  43  -2.982   7.433  -4.021
  301   2HB   SER  43          HB3       SER  43  -3.486   8.716  -5.132
  302    HG   SER  43           HG       SER  43  -3.518   6.813  -6.270
  303    H    ALA  44           H        ALA  44  -0.348   6.507  -5.469
  304    HA   ALA  44           HA       ALA  44   0.654   5.564  -2.955
  305   1HB   ALA  44          HB1       ALA  44   0.345   3.887  -4.498
  306   2HB   ALA  44          HB2       ALA  44   1.227   4.728  -5.803
  307   3HB   ALA  44          HB3       ALA  44   2.093   4.037  -4.416
  308    H    HIS  45           HN       HIS  45   2.572   6.717  -5.761
  309    HA   HIS  45           HA       HIS  45   4.904   7.055  -4.071
  310   1HB   HIS  45          HB2       HIS  45   4.248   7.330  -6.990
  311   2HB   HIS  45          HB3       HIS  45   5.617   8.249  -6.441
  312    HD1  HIS  45           HND      HIS  45   7.762   7.182  -6.744
  313    HD2  HIS  45           HD       HIS  45   4.605   4.461  -6.227
  314    HE1  HIS  45           HE       HIS  45   8.723   4.892  -7.190
  315    H    LYS  46           H        LYS  46   2.819   8.632  -3.058
  316    HA   LYS  46           HA       LYS  46   4.588  10.937  -2.636
  317   1HB   LYS  46          HB2       LYS  46   1.568  11.239  -2.962
  318   2HB   LYS  46          HB3       LYS  46   2.630  12.404  -2.158
  319   1HG   LYS  46          HG2       LYS  46   3.972  12.533  -4.353
  320   2HG   LYS  46          HG3       LYS  46   2.709  11.536  -5.072
  321   1HD   LYS  46          HD2       LYS  46   1.964  13.698  -5.593
  322   2HD   LYS  46          HD3       LYS  46   1.036  13.302  -4.142
  323   1HE   LYS  46          HE2       LYS  46   2.938  14.501  -2.804
  324   2HE   LYS  46          HE3       LYS  46   3.556  15.034  -4.369
  325   1HZ   LYS  46          HZ1       LYS  46   1.396  16.109  -4.730
  326   2HZ   LYS  46          HZ2       LYS  46   0.899  15.641  -3.231
  327   3HZ   LYS  46          HZ3       LYS  46   2.150  16.693  -3.390
  328    H    ASP  47           H        ASP  47   1.476   9.552  -1.510
  329    HA   ASP  47           HA       ASP  47   2.620   9.478   1.240
  330   1HB   ASP  47          HB2       ASP  47   1.312  11.556   0.743
  331   2HB   ASP  47          HB3       ASP  47  -0.128  10.545   0.491
  332    H    ALA  48           H        ALA  48  -0.097   8.201  -0.812
  333    HA   ALA  48           HA       ALA  48  -0.977   6.379   1.200
  334   1HB   ALA  48          HB1       ALA  48  -2.356   6.977  -0.726
  335   2HB   ALA  48          HB2       ALA  48  -1.234   6.146  -1.821
  336   3HB   ALA  48          HB3       ALA  48  -2.144   5.218  -0.616
  337    H    CYS  49           HN       CYS  49  -0.187   4.467   1.887
  338    HA   CYS  49           HA       CYS  49   1.186   2.697   2.207
  339   1HB   CYS  49          HB2       CYS  49   2.146   2.842  -0.656
  340   2HB   CYS  49          HB3       CYS  49   2.151   1.477   0.441
  341    H    LYS  50           H        LYS  50   3.057   4.907   0.059
  342    HA   LYS  50           HA       LYS  50   5.575   4.574   1.176
  343   1HB   LYS  50          HB2       LYS  50   4.142   6.910  -0.094
  344   2HB   LYS  50          HB3       LYS  50   5.807   7.081   0.432
  345   1HG   LYS  50          HG2       LYS  50   5.316   4.598  -1.161
  346   2HG   LYS  50          HG3       LYS  50   4.960   6.085  -2.010
  347   1HD   LYS  50          HD2       LYS  50   7.225   5.478  -2.479
  348   2HD   LYS  50          HD3       LYS  50   7.167   6.999  -1.573
  349   1HE   LYS  50          HE2       LYS  50   7.731   5.761   0.532
  350   2HE   LYS  50          HE3       LYS  50   7.749   4.241  -0.371
  351   1HZ   LYS  50          HZ1       LYS  50   9.966   5.147  -0.083
  352   2HZ   LYS  50          HZ2       LYS  50   9.577   5.133  -1.682
  353   3HZ   LYS  50          HZ3       LYS  50   9.540   6.541  -0.846
  354    H    THR  51           H        THR  51   3.203   7.081   2.354
  355    HA   THR  51           HA       THR  51   5.019   7.925   4.412
  356    HB   THR  51           HB       THR  51   2.079   8.503   4.010
  357    HG1  THR  51           HG1      THR  51   2.961  10.433   3.349
  358   1HG2  THR  51          HG2       THR  51   4.046   9.648   6.049
  359   2HG2  THR  51          HG2       THR  51   2.475  10.359   5.629
  360   3HG2  THR  51          HG2       THR  51   2.535   8.780   6.423
  361    H    CYS  52           HN       CYS  52   2.301   5.565   4.496
  362    HA   CYS  52           HA       CYS  52   2.421   5.144   7.354
  363   1HB   CYS  52          HB2       CYS  52   0.580   4.288   6.038
  364   2HB   CYS  52          HB3       CYS  52   1.678   3.170   5.191
  365    H    HIS  53           HN       HIS  53   4.017   3.449   4.631
  366    HA   HIS  53           HA       HIS  53   5.746   1.770   6.104
  367   1HB   HIS  53          HB2       HIS  53   5.912   3.136   3.417
  368   2HB   HIS  53          HB3       HIS  53   7.185   2.072   4.002
  369    HD1  HIS  53           HND      HIS  53   6.349   0.681   1.719
  370    HD2  HIS  53           HD       HIS  53   3.828   0.688   5.065
  371    HE1  HIS  53           HE       HIS  53   4.773  -1.313   1.465
  372    H    LYS  54           H        LYS  54   6.534   5.124   4.944
  373    HA   LYS  54           HA       LYS  54   9.014   5.417   6.322
  374   1HB   LYS  54          HB2       LYS  54   6.960   7.468   5.505
  375   2HB   LYS  54          HB3       LYS  54   8.505   7.791   6.296
  376   1HG   LYS  54          HG2       LYS  54   9.529   6.285   4.417
  377   2HG   LYS  54          HG3       LYS  54   8.068   6.773   3.539
  378   1HD   LYS  54          HD2       LYS  54   8.629   9.175   4.283
  379   2HD   LYS  54          HD3       LYS  54  10.117   8.496   4.994
  380   1HE   LYS  54          HE2       LYS  54  10.873   7.792   2.723
  381   2HE   LYS  54          HE3       LYS  54   9.400   8.495   2.022
  382   1HZ   LYS  54          HZ1       LYS  54  10.109  10.645   2.867
  383   2HZ   LYS  54          HZ2       LYS  54  11.472   9.993   3.507
  384   3HZ   LYS  54          HZ3       LYS  54  11.268  10.027   1.878
  385    H    SER  55           H        SER  55   5.683   5.853   7.547
  386    HA   SER  55           HA       SER  55   6.517   7.009  10.065
  387   1HB   SER  55          HB2       SER  55   4.300   7.397   9.012
  388   2HB   SER  55          HB3       SER  55   3.876   5.703   9.330
  389    HG   SER  55           HG       SER  55   4.483   6.260  11.605
  390    H    ASN  56           H        ASN  56   7.090   3.898   8.997
  391    HA   ASN  56           HA       ASN  56   7.671   3.164  11.765
  392   1HB   ASN  56          HB2       ASN  56   6.733   0.990  11.698
  393   2HB   ASN  56          HB3       ASN  56   5.445   2.092  11.232
  394   1HD2  ASN  56          HD2       ASN  56   5.034   2.287   8.707
  395   2HD2  ASN  56          HD2       ASN  56   5.275   0.751   7.884
  396    H    ASN  57           H        ASN  57   8.648   0.487  10.900
  397    HA   ASN  57           HA       ASN  57  11.167   1.246   9.644
  398   1HB   ASN  57          HB2       ASN  57  11.483  -1.263   9.557
  399   2HB   ASN  57          HB3       ASN  57  11.252  -0.550  11.154
  400   1HD2  ASN  57          HD2       ASN  57  10.099  -3.014   9.027
  401   2HD2  ASN  57          HD2       ASN  57   8.741  -3.491  10.049
  402    H    GLY  58           H        GLY  58   8.294  -0.623   8.546
  403   1HA   GLY  58          HA2       GLY  58   7.601  -1.284   6.475
  404   2HA   GLY  58          HA3       GLY  58   8.238   0.279   5.924
  405    HA   PRO  59           HA       PRO  59  10.920  -2.881   3.746
  406   1HB   PRO  59          HB2       PRO  59  10.307  -1.973   1.198
  407   2HB   PRO  59          HB3       PRO  59   9.507  -3.328   2.006
  408   1HG   PRO  59          HG2       PRO  59   8.540  -0.499   1.699
  409   2HG   PRO  59          HG3       PRO  59   7.601  -2.013   1.603
  410   1HD   PRO  59          HD2       PRO  59   7.675  -0.396   3.848
  411   2HD   PRO  59          HD3       PRO  59   7.403  -2.151   3.932
  412    H    THR  60           H        THR  60   9.970   0.468   2.915
  413    HA   THR  60           HA       THR  60  11.155   2.290   2.233
  414    HB   THR  60           HB       THR  60  12.912   1.362   4.538
  415    HG1  THR  60           HG1      THR  60  11.160   1.828   5.667
  416   1HG2  THR  60          HG2       THR  60  13.940   3.366   3.527
  417   2HG2  THR  60          HG2       THR  60  12.344   4.142   3.394
  418   3HG2  THR  60          HG2       THR  60  13.065   3.836   4.984
  419    H    LYS  61           H        LYS  61  11.615   0.151   0.570
  420    HA   LYS  61           HA       LYS  61  14.017   1.024  -0.816
  421   1HB   LYS  61          HB2       LYS  61  15.140  -1.108  -0.869
  422   2HB   LYS  61          HB3       LYS  61  14.874  -0.679   0.821
  423   1HG   LYS  61          HG2       LYS  61  12.739  -2.168   0.676
  424   2HG   LYS  61          HG3       LYS  61  13.386  -2.691  -0.882
  425   1HD   LYS  61          HD2       LYS  61  14.066  -4.373   0.516
  426   2HD   LYS  61          HD3       LYS  61  15.525  -3.366   0.387
  427   1HE   LYS  61          HE2       LYS  61  14.949  -2.311   2.590
  428   2HE   LYS  61          HE3       LYS  61  13.446  -3.254   2.640
  429   1HZ   LYS  61          HZ1       LYS  61  15.148  -4.233   3.983
  430   2HZ   LYS  61          HZ2       LYS  61  14.668  -5.247   2.788
  431   3HZ   LYS  61          HZ3       LYS  61  16.118  -4.464   2.675
  432    H    CYS  62           HN       CYS  62  13.707   0.759  -3.068
  433    HA   CYS  62           HA       CYS  62  11.166   0.432  -4.130
  434   1HB   CYS  62          HB2       CYS  62  13.664  -0.412  -5.600
  435   2HB   CYS  62          HB3       CYS  62  12.172   0.214  -6.289
  436    H    GLY  63           H        GLY  63  13.713  -2.011  -4.206
  437   1HA   GLY  63          HA2       GLY  63  12.189  -4.167  -5.208
  438   2HA   GLY  63          HA3       GLY  63  13.763  -4.256  -4.441
  439    H    GLY  64           H        GLY  64  11.549  -2.832  -2.289
  440   1HA   GLY  64          HA2       GLY  64  10.954  -5.402  -0.862
  441   2HA   GLY  64          HA3       GLY  64  10.999  -3.790  -0.149
  442    H    CYS  65           HN       CYS  65   9.596  -2.626  -2.599
  443    HA   CYS  65           HA       CYS  65   6.800  -3.584  -2.057
  444   1HB   CYS  65          HB2       CYS  65   7.935  -1.107  -3.337
  445   2HB   CYS  65          HB3       CYS  65   6.277  -1.650  -3.593
  446    H    HIS  66           HN       HIS  66   8.923  -2.697  -4.841
  447    HA   HIS  66           HA       HIS  66   7.260  -4.324  -6.652
  448   1HB   HIS  66          HB2       HIS  66   9.841  -2.794  -7.129
  449   2HB   HIS  66          HB3       HIS  66   8.833  -3.534  -8.333
  450    HD1  HIS  66           HND      HIS  66   6.807  -2.306  -9.180
  451    HD2  HIS  66           HD       HIS  66   8.811  -0.426  -6.043
  452    HE1  HIS  66           HE       HIS  66   5.865   0.073  -9.056
  453    H    ILE  67           H        ILE  67   7.711  -6.444  -7.297
  454    HA   ILE  67           HA       ILE  67   9.783  -7.979  -6.069
  455    HB   ILE  67           HB       ILE  67   8.353  -8.453  -8.708
  456   1HG1  ILE  67          HG1       ILE  67   6.737  -8.328  -6.929
  457   2HG1  ILE  67          HG1       ILE  67   6.918  -9.991  -7.447
  458   1HG2  ILE  67          HG2       ILE  67  10.037 -10.352  -7.028
  459   2HG2  ILE  67          HG2       ILE  67   8.900 -10.880  -8.283
  460   3HG2  ILE  67          HG2       ILE  67  10.281  -9.883  -8.723
  461   1HD1  ILE  67          HD1       ILE  67   8.373 -10.417  -5.424
  462   2HD1  ILE  67          HD1       ILE  67   8.041  -8.749  -4.893
  463   3HD1  ILE  67          HD1       ILE  67   6.721  -9.912  -5.038
  464    H    LYS  68           H        LYS  68  11.740  -8.882  -6.880
  465    HA   LYS  68           HA       LYS  68  13.043  -7.789  -9.210
  466   1HB   LYS  68          HB2       LYS  68  15.058  -7.154  -7.945
  467   2HB   LYS  68          HB3       LYS  68  13.698  -6.069  -7.602
  468   1HG   LYS  68          HG2       LYS  68  13.293  -7.043  -5.472
  469   2HG   LYS  68          HG3       LYS  68  14.247  -8.483  -5.850
  470   1HD   LYS  68          HD2       LYS  68  16.315  -7.147  -5.951
  471   2HD   LYS  68          HD3       LYS  68  15.404  -5.688  -5.499
  472   1HE   LYS  68          HE2       LYS  68  14.734  -6.768  -3.355
  473   2HE   LYS  68          HE3       LYS  68  15.539  -8.267  -3.838
  474   1HZ   LYS  68          HZ1       LYS  68  17.630  -7.096  -3.847
  475   2HZ   LYS  68          HZ2       LYS  68  16.903  -5.693  -3.388
  476   3HZ   LYS  68          HZ3       LYS  68  16.922  -6.986  -2.367
  477    HHA  HEC 130           HCM      HEC  30 -10.563  -0.169  -2.843
  478    HHB  HEC 130           HDM      HEC  30 -13.355  -2.722   2.180
  479    HHC  HEC 130           HAM      HEC  30  -7.710  -3.525   4.791
  480    HHD  HEC 130           HBM      HEC  30  -5.270  -0.109   0.336
  481   1HMA  HEC 130          HM8       HEC  30 -15.235  -1.345  -0.784
  482   2HMA  HEC 130          HM8       HEC  30 -14.839  -2.880   0.002
  483   3HMA  HEC 130          HM8       HEC  30 -14.994  -1.385   0.961
  484   1HAA  HEC 130          HP7       HEC  30 -12.649  -0.110  -3.247
  485   2HAA  HEC 130          HP7       HEC  30 -14.163  -0.070  -2.370
  486   1HBA  HEC 130          HP7       HEC  30 -14.281  -1.573  -4.259
  487   2HBA  HEC 130          HP7       HEC  30 -14.477  -2.476  -2.759
  488   1HMB  HEC 130          HM1       HEC  30 -13.599  -3.014   4.701
  489   2HMB  HEC 130          HM1       HEC  30 -13.444  -4.598   3.897
  490   3HMB  HEC 130          HM1       HEC  30 -12.861  -4.369   5.551
  491    HAB  HEC 130           HT2      HEC  30  -9.023  -4.343   6.132
  492   1HBB  HEC 130          HT2       HEC  30  -9.708  -6.368   4.943
  493   2HBB  HEC 130          HT2       HEC  30 -10.056  -6.468   6.680
  494   3HBB  HEC 130          HT2       HEC  30 -11.368  -6.157   5.536
  495   1HMC  HEC 130          HM3       HEC  30  -4.086  -2.599   4.549
  496   2HMC  HEC 130          HM3       HEC  30  -5.542  -2.937   5.488
  497   3HMC  HEC 130          HM3       HEC  30  -5.012  -4.056   4.187
  498    HAC  HEC 130           HT4      HEC  30  -4.247   0.400   2.077
  499   1HBC  HEC 130          HT4       HEC  30  -2.926  -1.300   1.210
  500   2HBC  HEC 130          HT4       HEC  30  -2.056  -0.568   2.576
  501   3HBC  HEC 130          HT4       HEC  30  -2.805  -2.165   2.763
  502   1HMD  HEC 130          HM5       HEC  30  -4.727   0.130  -2.030
  503   2HMD  HEC 130          HM5       HEC  30  -5.565   1.450  -2.898
  504   3HMD  HEC 130          HM5       HEC  30  -5.165   1.631  -1.190
  505   1HAD  HEC 130          HP6       HEC  30  -7.688   2.026  -3.593
  506   2HAD  HEC 130          HP6       HEC  30  -9.102   1.132  -4.011
  507   1HBD  HEC 130          HP6       HEC  30  -7.868  -0.545  -5.180
  508   2HBD  HEC 130          HP6       HEC  30  -6.330   0.120  -4.657
  509    HHA  HEC 153           HCM      HEC  53   5.618  -4.765   5.238
  510    HHB  HEC 153           HDM      HEC  53   3.213  -3.815  -0.448
  511    HHC  HEC 153           HAM      HEC  53  -0.223   0.812   1.839
  512    HHD  HEC 153           HBM      HEC  53   1.712  -0.513   7.584
  513   1HMA  HEC 153          HM8       HEC  53   5.799  -5.056  -0.499
  514   2HMA  HEC 153          HM8       HEC  53   5.585  -6.598   0.328
  515   3HMA  HEC 153          HM8       HEC  53   4.210  -5.854  -0.470
  516   1HAA  HEC 153          HP7       HEC  53   6.542  -6.822   2.266
  517   2HAA  HEC 153          HP7       HEC  53   6.416  -6.395   3.950
  518   1HBA  HEC 153          HP7       HEC  53   7.862  -4.431   3.569
  519   2HBA  HEC 153          HP7       HEC  53   7.902  -4.814   1.840
  520   1HMB  HEC 153          HM1       HEC  53   1.174  -2.698  -2.319
  521   2HMB  HEC 153          HM1       HEC  53   1.883  -1.069  -2.512
  522   3HMB  HEC 153          HM1       HEC  53   2.899  -2.401  -2.044
  523    HAB  HEC 153           HT2      HEC  53  -1.163  -0.096  -0.195
  524   1HBB  HEC 153          HT2       HEC  53   0.311   0.375  -2.771
  525   2HBB  HEC 153          HT2       HEC  53  -0.592  -1.120  -2.371
  526   3HBB  HEC 153          HT2       HEC  53  -1.410   0.438  -2.447
  527   1HMC  HEC 153          HM3       HEC  53  -2.013   2.012   4.618
  528   2HMC  HEC 153          HM3       HEC  53  -0.654   3.092   4.264
  529   3HMC  HEC 153          HM3       HEC  53  -1.379   2.092   3.008
  530    HAC  HEC 153           HT4      HEC  53  -0.121   0.684   7.800
  531   1HBC  HEC 153          HT4       HEC  53  -1.337   3.120   6.491
  532   2HBC  HEC 153          HT4       HEC  53  -2.174   1.584   6.821
  533   3HBC  HEC 153          HT4       HEC  53  -1.499   2.548   8.139
  534   1HMD  HEC 153          HM5       HEC  53   4.205  -2.438   9.613
  535   2HMD  HEC 153          HM5       HEC  53   3.514  -0.898   9.112
  536   3HMD  HEC 153          HM5       HEC  53   2.447  -2.288   9.437
  537   1HAD  HEC 153          HP6       HEC  53   4.963  -5.448   7.338
  538   2HAD  HEC 153          HP6       HEC  53   4.178  -4.703   8.714
  539   1HBD  HEC 153          HP6       HEC  53   6.269  -3.122   8.777
  540   2HBD  HEC 153          HP6       HEC  53   7.017  -4.353   7.759
  541    HHA  HEC 166           HCM      HEC  66   3.886   2.622 -10.178
  542    HHB  HEC 166           HDM      HEC  66  10.132   2.737 -10.047
  543    HHC  HEC 166           HAM      HEC  66   9.933   2.412  -3.821
  544    HHD  HEC 166           HBM      HEC  66   3.925   0.924  -4.194
  545   1HMA  HEC 166          HM8       HEC  66   8.112   3.458 -13.127
  546   2HMA  HEC 166          HM8       HEC  66   9.182   4.267 -11.977
  547   3HMA  HEC 166          HM8       HEC  66   9.394   2.538 -12.336
  548   1HAA  HEC 166          HP7       HEC  66   5.917   4.198 -12.791
  549   2HAA  HEC 166          HP7       HEC  66   4.484   3.490 -12.071
  550   1HBA  HEC 166          HP7       HEC  66   4.966   1.320 -12.966
  551   2HBA  HEC 166          HP7       HEC  66   6.566   1.819 -13.505
  552   1HMB  HEC 166          HM1       HEC  66  12.301   2.017  -9.244
  553   2HMB  HEC 166          HM1       HEC  66  12.267   3.778  -8.987
  554   3HMB  HEC 166          HM1       HEC  66  13.218   2.730  -7.925
  555    HAB  HEC 166           HT2      HEC  66  11.861   3.026  -4.243
  556   1HBB  HEC 166          HT2       HEC  66  11.898   5.208  -5.398
  557   2HBB  HEC 166          HT2       HEC  66  13.484   4.713  -4.772
  558   3HBB  HEC 166          HT2       HEC  66  13.137   4.585  -6.500
  559   1HMC  HEC 166          HM3       HEC  66   7.911   1.501  -0.867
  560   2HMC  HEC 166          HM3       HEC  66   9.157   0.734  -1.852
  561   3HMC  HEC 166          HM3       HEC  66   9.107   2.505  -1.690
  562    HAC  HEC 166           HT4      HEC  66   4.716  -0.100  -2.495
  563   1HBC  HEC 166          HT4       HEC  66   5.717   1.817  -0.361
  564   2HBC  HEC 166          HT4       HEC  66   4.286   2.049  -1.378
  565   3HBC  HEC 166          HT4       HEC  66   4.353   0.684  -0.252
  566   1HMD  HEC 166          HM5       HEC  66   1.401   1.750  -5.049
  567   2HMD  HEC 166          HM5       HEC  66   0.912   0.721  -6.401
  568   3HMD  HEC 166          HM5       HEC  66   1.980   0.075  -5.167
  569   1HAD  HEC 166          HP6       HEC  66   1.746   2.459  -9.577
  570   2HAD  HEC 166          HP6       HEC  66   0.770   2.019  -8.205
  571   1HBD  HEC 166          HP6       HEC  66   0.631  -0.086  -8.971
  572   2HBD  HEC 166          HP6       HEC  66   2.372  -0.241  -8.942
  Start of MODEL    8
    1   1H    ALA   1          H1        ALA   1  -8.721  -9.779  -5.174
    2   2H    ALA   1          H2        ALA   1 -10.151  -8.966  -5.356
    3   3H    ALA   1          H3        ALA   1  -8.882  -8.276  -4.540
    4    HA   ALA   1           HA       ALA   1 -10.623  -9.045  -3.064
    5   1HB   ALA   1          HB1       ALA   1  -9.679 -11.809  -3.942
    6   2HB   ALA   1          HB2       ALA   1 -10.918 -11.433  -2.721
    7   3HB   ALA   1          HB3       ALA   1 -11.215 -11.053  -4.420
    8    H    ASP   2           H        ASP   2  -9.269 -11.388  -1.488
    9    HA   ASP   2           HA       ASP   2  -8.032 -10.114   0.370
   10   1HB   ASP   2          HB2       ASP   2  -7.254 -12.824  -0.791
   11   2HB   ASP   2          HB3       ASP   2  -6.858 -12.293   0.849
   12    H    VAL   3           H        VAL   3  -6.085 -11.336  -2.363
   13    HA   VAL   3           HA       VAL   3  -3.978  -9.295  -1.719
   14    HB   VAL   3           HB       VAL   3  -3.579 -12.047  -2.950
   15   1HG1  VAL   3          HG1       VAL   3  -1.596  -9.855  -2.167
   16   2HG1  VAL   3          HG1       VAL   3  -1.170 -11.486  -2.723
   17   3HG1  VAL   3          HG1       VAL   3  -1.979 -10.367  -3.827
   18   1HG2  VAL   3          HG2       VAL   3  -4.014 -12.242  -0.528
   19   2HG2  VAL   3          HG2       VAL   3  -2.301 -12.509  -0.857
   20   3HG2  VAL   3          HG2       VAL   3  -2.838 -10.952  -0.195
   21    H    VAL   4           H        VAL   4  -3.936  -7.731  -3.200
   22    HA   VAL   4           HA       VAL   4  -4.768  -8.298  -6.026
   23    HB   VAL   4           HB       VAL   4  -4.590  -5.636  -4.557
   24   1HG1  VAL   4          HG1       VAL   4  -5.493  -6.366  -7.379
   25   2HG1  VAL   4          HG1       VAL   4  -5.744  -4.784  -6.622
   26   3HG1  VAL   4          HG1       VAL   4  -4.101  -5.353  -6.937
   27   1HG2  VAL   4          HG2       VAL   4  -6.983  -5.464  -4.750
   28   2HG2  VAL   4          HG2       VAL   4  -7.075  -7.107  -5.438
   29   3HG2  VAL   4          HG2       VAL   4  -6.535  -6.857  -3.756
   30    H    THR   5           H        THR   5  -3.253  -7.614  -7.673
   31    HA   THR   5           HA       THR   5  -0.519  -6.809  -6.780
   32    HB   THR   5           HB       THR   5  -1.308  -9.377  -8.183
   33    HG1  THR   5           HG1      THR   5   0.791  -8.967  -6.356
   34   1HG2  THR   5          HG2       THR   5   1.017  -9.784  -8.720
   35   2HG2  THR   5          HG2       THR   5   0.474  -8.359  -9.619
   36   3HG2  THR   5          HG2       THR   5   1.474  -8.167  -8.147
   37    H    TYR   6           H        TYR   6   0.021  -5.075  -7.831
   38    HA   TYR   6           HA       TYR   6  -1.338  -4.350 -10.330
   39   1HB   TYR   6          HB2       TYR   6   0.439  -2.866  -8.365
   40   2HB   TYR   6          HB3       TYR   6   0.223  -2.346  -9.981
   41    HD1  TYR   6           HD1      TYR   6  -2.199  -3.972  -7.564
   42    HD2  TYR   6           HD2      TYR   6  -1.377  -0.493  -9.977
   43    HE1  TYR   6           HE1      TYR   6  -4.356  -2.973  -6.898
   44    HE2  TYR   6           HE2      TYR   6  -3.505   0.528  -9.203
   45    HH   TYR   6           HH       TYR   6  -5.420   0.270  -7.530
   46    H    GLU   7           H        GLU   7  -0.597  -5.759 -11.843
   47    HA   GLU   7           HA       GLU   7   2.124  -6.421 -12.289
   48   1HB   GLU   7          HB2       GLU   7  -0.321  -6.785 -14.032
   49   2HB   GLU   7          HB3       GLU   7   1.244  -7.587 -14.248
   50   1HG   GLU   7          HG2       GLU   7   0.995  -8.492 -11.944
   51   2HG   GLU   7          HG3       GLU   7  -0.641  -7.817 -11.832
   52    H    ASN   8           H        ASN   8   3.117  -4.297 -12.283
   53    HA   ASN   8           HA       ASN   8   2.848  -2.782 -14.835
   54   1HB   ASN   8          HB2       ASN   8   3.691  -0.889 -13.646
   55   2HB   ASN   8          HB3       ASN   8   2.389  -1.615 -12.716
   56   1HD2  ASN   8          HD2       ASN   8   2.996  -2.851 -10.721
   57   2HD2  ASN   8          HD2       ASN   8   4.642  -2.717 -10.090
   58    H    ALA   9           H        ALA   9   4.770  -1.711 -15.604
   59    HA   ALA   9           HA       ALA   9   6.714  -3.609 -16.420
   60   1HB   ALA   9          HB1       ALA   9   6.026  -1.664 -17.751
   61   2HB   ALA   9          HB2       ALA   9   6.774  -0.572 -16.560
   62   3HB   ALA   9          HB3       ALA   9   7.787  -1.686 -17.511
   63    H    ALA  10           H        ALA  10   6.727  -1.529 -13.567
   64    HA   ALA  10           HA       ALA  10   9.683  -1.779 -13.273
   65   1HB   ALA  10          HB1       ALA  10   9.450  -0.049 -11.603
   66   2HB   ALA  10          HB2       ALA  10   8.617   0.438 -13.093
   67   3HB   ALA  10          HB3       ALA  10   7.680  -0.129 -11.695
   68    H    GLY  11           H        GLY  11   7.621  -4.046 -12.835
   69   1HA   GLY  11          HA2       GLY  11   8.087  -5.961 -11.364
   70   2HA   GLY  11          HA3       GLY  11   8.729  -4.879 -10.165
   71    H    ASN  12           H        ASN  12   6.264  -6.870 -10.411
   72    HA   ASN  12           HA       ASN  12   4.034  -5.069  -9.814
   73   1HB   ASN  12          HB2       ASN  12   2.727  -6.974  -9.399
   74   2HB   ASN  12          HB3       ASN  12   3.528  -7.092 -10.941
   75   1HD2  ASN  12          HD2       ASN  12   2.614  -9.491 -10.103
   76   2HD2  ASN  12          HD2       ASN  12   3.980 -10.463  -9.576
   77    H    VAL  13           H        VAL  13   3.000  -4.942  -7.845
   78    HA   VAL  13           HA       VAL  13   5.067  -4.636  -5.769
   79    HB   VAL  13           HB       VAL  13   4.609  -2.614  -6.622
   80   1HG1  VAL  13          HG1       VAL  13   1.674  -3.291  -6.545
   81   2HG1  VAL  13          HG1       VAL  13   2.333  -1.660  -6.865
   82   3HG1  VAL  13          HG1       VAL  13   2.692  -2.968  -7.982
   83   1HG2  VAL  13          HG2       VAL  13   3.697  -1.354  -4.816
   84   2HG2  VAL  13          HG2       VAL  13   2.664  -2.704  -4.310
   85   3HG2  VAL  13          HG2       VAL  13   4.429  -2.779  -4.074
   86    H    THR  14           H        THR  14   1.981  -6.172  -6.076
   87    HA   THR  14           HA       THR  14   0.664  -7.253  -4.629
   88    HB   THR  14           HB       THR  14   3.350  -7.739  -3.478
   89    HG1  THR  14           HG1      THR  14   1.199  -9.463  -4.034
   90   1HG2  THR  14          HG2       THR  14   2.167  -7.630  -1.346
   91   2HG2  THR  14          HG2       THR  14   0.770  -8.500  -2.020
   92   3HG2  THR  14          HG2       THR  14   2.331  -9.317  -1.818
   93    H    PHE  15           H        PHE  15  -0.848  -6.028  -4.163
   94    HA   PHE  15           HA       PHE  15  -0.909  -4.167  -1.828
   95   1HB   PHE  15          HB2       PHE  15  -2.687  -4.818  -4.182
   96   2HB   PHE  15          HB3       PHE  15  -3.340  -4.029  -2.746
   97    HD1  PHE  15           HD1      PHE  15  -0.085  -3.424  -4.600
   98    HD2  PHE  15           HD2      PHE  15  -4.062  -2.044  -3.661
   99    HE1  PHE  15           HE1      PHE  15   0.191  -1.519  -6.129
  100    HE2  PHE  15           HE2      PHE  15  -3.785  -0.217  -5.258
  101    HZ   PHE  15           HZ       PHE  15  -1.652   0.055  -6.498
  102    H    ASP  16           H        ASP  16  -0.853  -5.655  -0.066
  103    HA   ASP  16           HA       ASP  16  -2.601  -7.983   0.079
  104   1HB   ASP  16          HB2       ASP  16  -1.281  -6.219   2.153
  105   2HB   ASP  16          HB3       ASP  16  -2.086  -7.775   2.448
  106    H    HIS  17           HN       HIS  17  -4.836  -7.611  -0.091
  107    HA   HIS  17           HA       HIS  17  -5.934  -5.114   0.985
  108   1HB   HIS  17          HB2       HIS  17  -6.756  -6.679  -1.048
  109   2HB   HIS  17          HB3       HIS  17  -7.741  -7.404   0.220
  110    HD1  HIS  17           HND      HIS  17  -8.599  -5.254  -2.286
  111    HD2  HIS  17           HD       HIS  17  -8.070  -4.513   1.798
  112    HE1  HIS  17           HE       HIS  17  -9.543  -2.955  -1.849
  113    H    LYS  18           H        LYS  18  -6.052  -8.557   1.608
  114    HA   LYS  18           HA       LYS  18  -7.369  -8.256   4.227
  115   1HB   LYS  18          HB2       LYS  18  -8.155  -9.715   2.485
  116   2HB   LYS  18          HB3       LYS  18  -6.688 -10.694   2.547
  117   1HG   LYS  18          HG2       LYS  18  -8.446 -10.315   5.017
  118   2HG   LYS  18          HG3       LYS  18  -8.970 -11.350   3.681
  119   1HD   LYS  18          HD2       LYS  18  -6.720 -12.562   3.852
  120   2HD   LYS  18          HD3       LYS  18  -6.525 -11.749   5.428
  121   1HE   LYS  18          HE2       LYS  18  -8.803 -12.680   6.076
  122   2HE   LYS  18          HE3       LYS  18  -8.846 -13.543   4.523
  123   1HZ   LYS  18          HZ1       LYS  18  -6.872 -13.904   6.683
  124   2HZ   LYS  18          HZ2       LYS  18  -8.059 -14.954   6.307
  125   3HZ   LYS  18          HZ3       LYS  18  -6.820 -14.701   5.243
  126    H    ALA  19           H        ALA  19  -4.281  -9.704   2.982
  127    HA   ALA  19           HA       ALA  19  -3.393 -10.655   5.502
  128   1HB   ALA  19          HB1       ALA  19  -1.715  -9.776   3.127
  129   2HB   ALA  19          HB2       ALA  19  -1.183 -10.799   4.464
  130   3HB   ALA  19          HB3       ALA  19  -2.443 -11.381   3.351
  131    H    HIS  20           HN       HIS  20  -2.909  -7.408   4.063
  132    HA   HIS  20           HA       HIS  20  -1.269  -6.446   6.268
  133   1HB   HIS  20          HB2       HIS  20  -2.667  -5.221   3.918
  134   2HB   HIS  20          HB3       HIS  20  -2.477  -4.225   5.338
  135    HD1  HIS  20           HND      HIS  20   0.224  -6.575   3.744
  136    HD2  HIS  20           HD       HIS  20  -0.628  -2.525   4.596
  137    HE1  HIS  20           HE       HIS  20   2.277  -5.320   3.263
  138    H    ALA  21           H        ALA  21  -4.784  -6.299   5.460
  139    HA   ALA  21           HA       ALA  21  -5.705  -4.873   7.665
  140   1HB   ALA  21          HB1       ALA  21  -7.074  -5.526   5.725
  141   2HB   ALA  21          HB2       ALA  21  -7.158  -7.187   6.347
  142   3HB   ALA  21          HB3       ALA  21  -7.838  -5.867   7.298
  143    H    GLU  22           H        GLU  22  -5.138  -8.414   7.488
  144    HA   GLU  22           HA       GLU  22  -6.015  -9.225   9.969
  145   1HB   GLU  22          HB2       GLU  22  -3.559 -10.059   8.391
  146   2HB   GLU  22          HB3       GLU  22  -4.175 -10.985   9.751
  147   1HG   GLU  22          HG2       GLU  22  -6.165 -10.355   7.579
  148   2HG   GLU  22          HG3       GLU  22  -4.865 -11.500   7.206
  149    H    LYS  23           H        LYS  23  -3.007  -7.451   9.267
  150    HA   LYS  23           HA       LYS  23  -2.135  -7.476  12.115
  151   1HB   LYS  23          HB2       LYS  23  -0.831  -7.168   9.529
  152   2HB   LYS  23          HB3       LYS  23  -0.548  -5.727  10.501
  153   1HG   LYS  23          HG2       LYS  23   0.292  -7.136  12.364
  154   2HG   LYS  23          HG3       LYS  23   0.052  -8.583  11.363
  155   1HD   LYS  23          HD2       LYS  23   1.637  -7.742   9.684
  156   2HD   LYS  23          HD3       LYS  23   1.802  -6.203  10.550
  157   1HE   LYS  23          HE2       LYS  23   2.817  -7.373  12.489
  158   2HE   LYS  23          HE3       LYS  23   2.635  -8.923  11.655
  159   1HZ   LYS  23          HZ1       LYS  23   4.423  -6.688  10.735
  160   2HZ   LYS  23          HZ2       LYS  23   4.875  -8.071  11.405
  161   3HZ   LYS  23          HZ3       LYS  23   4.158  -8.073   9.936
  162    H    LEU  24           H        LEU  24  -3.336  -5.276   9.632
  163    HA   LEU  24           HA       LEU  24  -3.064  -2.818  11.208
  164   1HB   LEU  24          HB2       LEU  24  -4.162  -3.423   8.461
  165   2HB   LEU  24          HB3       LEU  24  -3.974  -1.844   9.192
  166    HG   LEU  24           HG       LEU  24  -1.737  -3.761   8.456
  167   1HD1  LEU  24          HD1       LEU  24  -1.124  -2.048   6.860
  168   2HD1  LEU  24          HD1       LEU  24  -2.848  -2.415   6.631
  169   3HD1  LEU  24          HD1       LEU  24  -2.361  -0.943   7.479
  170   1HD2  LEU  24          HD2       LEU  24  -1.578  -1.091   9.914
  171   2HD2  LEU  24          HD2       LEU  24  -0.971  -2.670  10.476
  172   3HD2  LEU  24          HD2       LEU  24  -0.205  -1.872   9.102
  173    H    GLY  25           H        GLY  25  -5.971  -4.460   9.880
  174   1HA   GLY  25          HA2       GLY  25  -8.004  -4.567  11.029
  175   2HA   GLY  25          HA3       GLY  25  -7.620  -3.136  11.971
  176    H    CYS  26           HN       CYS  26  -7.442  -3.236   8.464
  177    HA   CYS  26           HA       CYS  26  -8.417  -2.110   6.763
  178   1HB   CYS  26          HB2       CYS  26 -10.836  -1.778   8.484
  179   2HB   CYS  26          HB3       CYS  26 -10.749  -1.562   6.733
  180    H    ASP  27           H        ASP  27  -9.251  -0.522   9.824
  181    HA   ASP  27           HA       ASP  27  -9.733   2.082   9.224
  182   1HB   ASP  27          HB2       ASP  27  -8.983   2.517  11.498
  183   2HB   ASP  27          HB3       ASP  27  -9.947   1.040  11.412
  184    H    ALA  28           H        ALA  28  -6.592   0.671   9.861
  185    HA   ALA  28           HA       ALA  28  -4.748   2.636   9.545
  186   1HB   ALA  28          HB1       ALA  28  -3.232   0.844   8.849
  187   2HB   ALA  28          HB2       ALA  28  -4.408   0.170   9.994
  188   3HB   ALA  28          HB3       ALA  28  -4.627  -0.085   8.241
  189    H    CYS  29           HN       CYS  29  -6.614   1.274   6.809
  190    HA   CYS  29           HA       CYS  29  -5.110   3.030   4.871
  191   1HB   CYS  29          HB2       CYS  29  -6.604   0.437   4.459
  192   2HB   CYS  29          HB3       CYS  29  -5.919   1.463   3.194
  193    H    HIS  30           HN       HIS  30  -7.935   2.984   6.653
  194    HA   HIS  30           HA       HIS  30  -9.632   4.275   4.596
  195   1HB   HIS  30          HB2       HIS  30 -10.032   1.514   5.823
  196   2HB   HIS  30          HB3       HIS  30 -11.324   2.411   5.058
  197    HD1  HIS  30           HND      HIS  30  -9.720   3.265   2.408
  198    HD2  HIS  30           HD       HIS  30  -9.755  -0.464   4.229
  199    HE1  HIS  30           HE       HIS  30  -9.546   1.527   0.499
  200    H    GLU  31           H        GLU  31 -10.191   6.037   5.744
  201    HA   GLU  31           HA       GLU  31 -10.593   5.989   8.510
  202   1HB   GLU  31          HB2       GLU  31 -11.359   8.322   8.203
  203   2HB   GLU  31          HB3       GLU  31  -9.824   7.925   7.425
  204   1HG   GLU  31          HG2       GLU  31 -11.040   7.740   5.205
  205   2HG   GLU  31          HG3       GLU  31 -12.510   8.284   6.024
  206    H    GLY  32           H        GLY  32 -12.038   4.121   8.650
  207   1HA   GLY  32          HA2       GLY  32 -14.038   3.443   9.636
  208   2HA   GLY  32          HA3       GLY  32 -14.744   5.037   9.351
  209    H    THR  33           H        THR  33 -14.881   5.449   6.787
  210    HA   THR  33           HA       THR  33 -16.559   3.269   5.657
  211    HB   THR  33           HB       THR  33 -16.134   6.126   4.731
  212    HG1  THR  33           HG1      THR  33 -18.270   4.826   6.068
  213   1HG2  THR  33          HG2       THR  33 -16.830   4.681   2.838
  214   2HG2  THR  33          HG2       THR  33 -18.108   3.960   3.841
  215   3HG2  THR  33          HG2       THR  33 -18.189   5.673   3.388
  216    HA   PRO  34           HA       PRO  34 -12.742   2.500   3.195
  217   1HB   PRO  34          HB2       PRO  34 -13.212  -0.019   2.400
  218   2HB   PRO  34          HB3       PRO  34 -12.762   0.328   4.095
  219   1HG   PRO  34          HG2       PRO  34 -15.567  -0.052   2.978
  220   2HG   PRO  34          HG3       PRO  34 -14.843  -0.871   4.393
  221   1HD   PRO  34          HD2       PRO  34 -16.401   1.329   4.645
  222   2HD   PRO  34          HD3       PRO  34 -14.972   1.089   5.696
  223    H    ALA  35           H        ALA  35 -12.369   2.512   0.936
  224    HA   ALA  35           HA       ALA  35 -14.503   2.251  -1.002
  225   1HB   ALA  35          HB1       ALA  35 -13.511   5.045  -0.265
  226   2HB   ALA  35          HB2       ALA  35 -14.577   4.655  -1.633
  227   3HB   ALA  35          HB3       ALA  35 -15.146   4.422   0.026
  228    H    LYS  36           H        LYS  36 -13.721   2.987  -3.211
  229    HA   LYS  36           HA       LYS  36 -11.061   1.954  -3.568
  230   1HB   LYS  36          HB2       LYS  36 -11.417   1.964  -5.863
  231   2HB   LYS  36          HB3       LYS  36 -12.819   1.300  -5.038
  232   1HG   LYS  36          HG2       LYS  36 -14.150   2.674  -6.194
  233   2HG   LYS  36          HG3       LYS  36 -13.473   4.017  -5.288
  234   1HD   LYS  36          HD2       LYS  36 -11.509   3.721  -7.217
  235   2HD   LYS  36          HD3       LYS  36 -12.875   3.010  -8.072
  236   1HE   LYS  36          HE2       LYS  36 -12.992   5.302  -8.676
  237   2HE   LYS  36          HE3       LYS  36 -14.185   5.162  -7.377
  238   1HZ   LYS  36          HZ1       LYS  36 -12.189   5.783  -5.896
  239   2HZ   LYS  36          HZ2       LYS  36 -11.461   6.271  -7.260
  240   3HZ   LYS  36          HZ3       LYS  36 -12.863   7.007  -6.799
  241    H    ILE  37           H        ILE  37  -9.602   3.251  -2.696
  242    HA   ILE  37           HA       ILE  37  -9.253   6.080  -3.487
  243    HB   ILE  37           HB       ILE  37  -7.613   4.234  -1.740
  244   1HG1  ILE  37          HG1       ILE  37  -9.323   6.576  -0.812
  245   2HG1  ILE  37          HG1       ILE  37 -10.052   4.984  -1.027
  246   1HG2  ILE  37          HG2       ILE  37  -7.439   7.263  -2.190
  247   2HG2  ILE  37          HG2       ILE  37  -6.546   6.385  -0.938
  248   3HG2  ILE  37          HG2       ILE  37  -6.193   6.083  -2.628
  249   1HD1  ILE  37          HD1       ILE  37  -7.681   5.547   0.766
  250   2HD1  ILE  37          HD1       ILE  37  -9.354   5.218   1.264
  251   3HD1  ILE  37          HD1       ILE  37  -8.404   3.956   0.440
  252    H    ALA  38           H        ALA  38  -8.931   5.865  -5.648
  253    HA   ALA  38           HA       ALA  38  -7.582   4.041  -7.149
  254   1HB   ALA  38          HB1       ALA  38  -7.335   5.660  -8.914
  255   2HB   ALA  38          HB2       ALA  38  -8.920   5.816  -8.127
  256   3HB   ALA  38          HB3       ALA  38  -7.632   7.000  -7.779
  257    H    ILE  39           H        ILE  39  -5.656   3.140  -7.055
  258    HA   ILE  39           HA       ILE  39  -3.358   4.740  -6.128
  259    HB   ILE  39           HB       ILE  39  -3.608   1.782  -6.568
  260   1HG1  ILE  39          HG1       ILE  39  -5.092   2.614  -4.805
  261   2HG1  ILE  39          HG1       ILE  39  -3.815   1.664  -4.135
  262   1HG2  ILE  39          HG2       ILE  39  -1.510   1.953  -5.000
  263   2HG2  ILE  39          HG2       ILE  39  -1.303   2.325  -6.728
  264   3HG2  ILE  39          HG2       ILE  39  -1.463   3.638  -5.554
  265   1HD1  ILE  39          HD1       ILE  39  -3.998   4.706  -4.039
  266   2HD1  ILE  39          HD1       ILE  39  -4.173   3.570  -2.706
  267   3HD1  ILE  39          HD1       ILE  39  -2.592   3.772  -3.473
  268    H    ASP  40           H        ASP  40  -1.985   5.703  -7.360
  269    HA   ASP  40           HA       ASP  40  -0.730   4.356  -9.644
  270   1HB   ASP  40          HB2       ASP  40  -2.622   5.475 -10.749
  271   2HB   ASP  40          HB3       ASP  40  -2.345   6.963  -9.815
  272    H    LYS  41           H        LYS  41   0.878   6.091 -10.511
  273    HA   LYS  41           HA       LYS  41   2.687   6.846  -8.364
  274   1HB   LYS  41          HB2       LYS  41   4.241   7.470 -10.127
  275   2HB   LYS  41          HB3       LYS  41   3.498   5.896 -10.411
  276   1HG   LYS  41          HG2       LYS  41   1.785   7.358 -11.889
  277   2HG   LYS  41          HG3       LYS  41   3.124   8.493 -11.921
  278   1HD   LYS  41          HD2       LYS  41   4.602   6.794 -12.898
  279   2HD   LYS  41          HD3       LYS  41   3.382   5.530 -12.637
  280   1HE   LYS  41          HE2       LYS  41   1.823   6.594 -14.178
  281   2HE   LYS  41          HE3       LYS  41   2.979   7.903 -14.500
  282   1HZ   LYS  41          HZ1       LYS  41   3.549   5.027 -15.011
  283   2HZ   LYS  41          HZ2       LYS  41   3.031   6.066 -16.172
  284   3HZ   LYS  41          HZ3       LYS  41   4.487   6.248 -15.421
  285    H    LYS  42           H        LYS  42   0.561   8.139  -7.736
  286    HA   LYS  42           HA       LYS  42   1.285  10.980  -7.720
  287   1HB   LYS  42          HB2       LYS  42  -1.449  10.013  -8.699
  288   2HB   LYS  42          HB3       LYS  42  -1.078  11.662  -8.170
  289   1HG   LYS  42          HG2       LYS  42   0.675  11.790  -9.978
  290   2HG   LYS  42          HG3       LYS  42   0.103  10.214 -10.573
  291   1HD   LYS  42          HD2       LYS  42  -2.147  11.080 -10.902
  292   2HD   LYS  42          HD3       LYS  42  -1.690  12.661 -10.223
  293   1HE   LYS  42          HE2       LYS  42  -0.063  13.005 -12.060
  294   2HE   LYS  42          HE3       LYS  42  -0.450  11.407 -12.722
  295   1HZ   LYS  42          HZ1       LYS  42  -2.693  12.161 -13.101
  296   2HZ   LYS  42          HZ2       LYS  42  -2.363  13.643 -12.468
  297   3HZ   LYS  42          HZ3       LYS  42  -1.640  13.165 -13.865
  298    H    SER  43           H        SER  43  -1.185   8.508  -6.799
  299    HA   SER  43           HA       SER  43  -1.570   9.617  -4.123
  300   1HB   SER  43          HB2       SER  43  -2.982   7.433  -4.021
  301   2HB   SER  43          HB3       SER  43  -3.486   8.716  -5.132
  302    HG   SER  43           HG       SER  43  -3.518   6.813  -6.270
  303    H    ALA  44           H        ALA  44  -0.348   6.507  -5.469
  304    HA   ALA  44           HA       ALA  44   0.654   5.564  -2.955
  305   1HB   ALA  44          HB1       ALA  44   0.345   3.887  -4.498
  306   2HB   ALA  44          HB2       ALA  44   1.227   4.728  -5.803
  307   3HB   ALA  44          HB3       ALA  44   2.093   4.037  -4.416
  308    H    HIS  45           HN       HIS  45   2.572   6.717  -5.761
  309    HA   HIS  45           HA       HIS  45   4.904   7.055  -4.071
  310   1HB   HIS  45          HB2       HIS  45   4.248   7.330  -6.990
  311   2HB   HIS  45          HB3       HIS  45   5.617   8.249  -6.441
  312    HD1  HIS  45           HND      HIS  45   7.762   7.182  -6.744
  313    HD2  HIS  45           HD       HIS  45   4.605   4.461  -6.227
  314    HE1  HIS  45           HE       HIS  45   8.723   4.892  -7.190
  315    H    LYS  46           H        LYS  46   2.819   8.632  -3.058
  316    HA   LYS  46           HA       LYS  46   4.588  10.937  -2.636
  317   1HB   LYS  46          HB2       LYS  46   1.568  11.239  -2.962
  318   2HB   LYS  46          HB3       LYS  46   2.630  12.404  -2.158
  319   1HG   LYS  46          HG2       LYS  46   3.972  12.533  -4.353
  320   2HG   LYS  46          HG3       LYS  46   2.709  11.536  -5.072
  321   1HD   LYS  46          HD2       LYS  46   1.964  13.698  -5.593
  322   2HD   LYS  46          HD3       LYS  46   1.036  13.302  -4.142
  323   1HE   LYS  46          HE2       LYS  46   2.938  14.501  -2.804
  324   2HE   LYS  46          HE3       LYS  46   3.556  15.034  -4.369
  325   1HZ   LYS  46          HZ1       LYS  46   1.396  16.109  -4.730
  326   2HZ   LYS  46          HZ2       LYS  46   0.899  15.641  -3.231
  327   3HZ   LYS  46          HZ3       LYS  46   2.150  16.693  -3.390
  328    H    ASP  47           H        ASP  47   1.476   9.552  -1.510
  329    HA   ASP  47           HA       ASP  47   2.620   9.478   1.240
  330   1HB   ASP  47          HB2       ASP  47   1.312  11.556   0.743
  331   2HB   ASP  47          HB3       ASP  47  -0.128  10.545   0.491
  332    H    ALA  48           H        ALA  48  -0.097   8.201  -0.812
  333    HA   ALA  48           HA       ALA  48  -0.977   6.379   1.200
  334   1HB   ALA  48          HB1       ALA  48  -2.356   6.977  -0.726
  335   2HB   ALA  48          HB2       ALA  48  -1.234   6.146  -1.821
  336   3HB   ALA  48          HB3       ALA  48  -2.144   5.218  -0.616
  337    H    CYS  49           HN       CYS  49  -0.187   4.467   1.887
  338    HA   CYS  49           HA       CYS  49   1.186   2.697   2.207
  339   1HB   CYS  49          HB2       CYS  49   2.146   2.842  -0.656
  340   2HB   CYS  49          HB3       CYS  49   2.151   1.477   0.441
  341    H    LYS  50           H        LYS  50   3.057   4.907   0.059
  342    HA   LYS  50           HA       LYS  50   5.575   4.574   1.176
  343   1HB   LYS  50          HB2       LYS  50   4.142   6.910  -0.094
  344   2HB   LYS  50          HB3       LYS  50   5.807   7.081   0.432
  345   1HG   LYS  50          HG2       LYS  50   5.316   4.598  -1.161
  346   2HG   LYS  50          HG3       LYS  50   4.960   6.085  -2.010
  347   1HD   LYS  50          HD2       LYS  50   7.225   5.478  -2.479
  348   2HD   LYS  50          HD3       LYS  50   7.167   6.999  -1.573
  349   1HE   LYS  50          HE2       LYS  50   7.731   5.761   0.532
  350   2HE   LYS  50          HE3       LYS  50   7.749   4.241  -0.371
  351   1HZ   LYS  50          HZ1       LYS  50   9.966   5.147  -0.083
  352   2HZ   LYS  50          HZ2       LYS  50   9.577   5.133  -1.682
  353   3HZ   LYS  50          HZ3       LYS  50   9.540   6.541  -0.846
  354    H    THR  51           H        THR  51   3.203   7.081   2.354
  355    HA   THR  51           HA       THR  51   5.019   7.925   4.412
  356    HB   THR  51           HB       THR  51   2.079   8.503   4.010
  357    HG1  THR  51           HG1      THR  51   2.961  10.433   3.349
  358   1HG2  THR  51          HG2       THR  51   4.046   9.648   6.049
  359   2HG2  THR  51          HG2       THR  51   2.475  10.359   5.629
  360   3HG2  THR  51          HG2       THR  51   2.535   8.780   6.423
  361    H    CYS  52           HN       CYS  52   2.301   5.565   4.496
  362    HA   CYS  52           HA       CYS  52   2.421   5.144   7.354
  363   1HB   CYS  52          HB2       CYS  52   0.580   4.288   6.038
  364   2HB   CYS  52          HB3       CYS  52   1.678   3.170   5.191
  365    H    HIS  53           HN       HIS  53   4.017   3.449   4.631
  366    HA   HIS  53           HA       HIS  53   5.746   1.770   6.104
  367   1HB   HIS  53          HB2       HIS  53   5.912   3.136   3.417
  368   2HB   HIS  53          HB3       HIS  53   7.185   2.072   4.002
  369    HD1  HIS  53           HND      HIS  53   6.349   0.681   1.719
  370    HD2  HIS  53           HD       HIS  53   3.828   0.688   5.065
  371    HE1  HIS  53           HE       HIS  53   4.773  -1.313   1.465
  372    H    LYS  54           H        LYS  54   6.534   5.124   4.944
  373    HA   LYS  54           HA       LYS  54   9.014   5.417   6.322
  374   1HB   LYS  54          HB2       LYS  54   6.960   7.468   5.505
  375   2HB   LYS  54          HB3       LYS  54   8.505   7.791   6.296
  376   1HG   LYS  54          HG2       LYS  54   9.529   6.285   4.417
  377   2HG   LYS  54          HG3       LYS  54   8.068   6.773   3.539
  378   1HD   LYS  54          HD2       LYS  54   8.629   9.175   4.283
  379   2HD   LYS  54          HD3       LYS  54  10.117   8.496   4.994
  380   1HE   LYS  54          HE2       LYS  54  10.873   7.792   2.723
  381   2HE   LYS  54          HE3       LYS  54   9.400   8.495   2.022
  382   1HZ   LYS  54          HZ1       LYS  54  10.109  10.645   2.867
  383   2HZ   LYS  54          HZ2       LYS  54  11.472   9.993   3.507
  384   3HZ   LYS  54          HZ3       LYS  54  11.268  10.027   1.878
  385    H    SER  55           H        SER  55   5.683   5.853   7.547
  386    HA   SER  55           HA       SER  55   6.517   7.009  10.065
  387   1HB   SER  55          HB2       SER  55   4.300   7.397   9.012
  388   2HB   SER  55          HB3       SER  55   3.876   5.703   9.330
  389    HG   SER  55           HG       SER  55   4.483   6.260  11.605
  390    H    ASN  56           H        ASN  56   7.090   3.898   8.997
  391    HA   ASN  56           HA       ASN  56   7.671   3.164  11.765
  392   1HB   ASN  56          HB2       ASN  56   6.733   0.990  11.698
  393   2HB   ASN  56          HB3       ASN  56   5.445   2.092  11.232
  394   1HD2  ASN  56          HD2       ASN  56   5.034   2.287   8.707
  395   2HD2  ASN  56          HD2       ASN  56   5.275   0.751   7.884
  396    H    ASN  57           H        ASN  57   8.648   0.487  10.900
  397    HA   ASN  57           HA       ASN  57  11.167   1.246   9.644
  398   1HB   ASN  57          HB2       ASN  57  11.483  -1.263   9.557
  399   2HB   ASN  57          HB3       ASN  57  11.252  -0.550  11.154
  400   1HD2  ASN  57          HD2       ASN  57  10.099  -3.014   9.027
  401   2HD2  ASN  57          HD2       ASN  57   8.741  -3.491  10.049
  402    H    GLY  58           H        GLY  58   8.294  -0.623   8.546
  403   1HA   GLY  58          HA2       GLY  58   7.601  -1.284   6.475
  404   2HA   GLY  58          HA3       GLY  58   8.238   0.279   5.924
  405    HA   PRO  59           HA       PRO  59  10.920  -2.881   3.746
  406   1HB   PRO  59          HB2       PRO  59  10.307  -1.973   1.198
  407   2HB   PRO  59          HB3       PRO  59   9.507  -3.328   2.006
  408   1HG   PRO  59          HG2       PRO  59   8.540  -0.499   1.699
  409   2HG   PRO  59          HG3       PRO  59   7.601  -2.013   1.603
  410   1HD   PRO  59          HD2       PRO  59   7.675  -0.396   3.848
  411   2HD   PRO  59          HD3       PRO  59   7.403  -2.151   3.932
  412    H    THR  60           H        THR  60   9.970   0.468   2.915
  413    HA   THR  60           HA       THR  60  11.155   2.290   2.233
  414    HB   THR  60           HB       THR  60  12.912   1.362   4.538
  415    HG1  THR  60           HG1      THR  60  11.160   1.828   5.667
  416   1HG2  THR  60          HG2       THR  60  13.940   3.366   3.527
  417   2HG2  THR  60          HG2       THR  60  12.344   4.142   3.394
  418   3HG2  THR  60          HG2       THR  60  13.065   3.836   4.984
  419    H    LYS  61           H        LYS  61  11.615   0.151   0.570
  420    HA   LYS  61           HA       LYS  61  14.017   1.024  -0.816
  421   1HB   LYS  61          HB2       LYS  61  15.140  -1.108  -0.869
  422   2HB   LYS  61          HB3       LYS  61  14.874  -0.679   0.821
  423   1HG   LYS  61          HG2       LYS  61  12.739  -2.168   0.676
  424   2HG   LYS  61          HG3       LYS  61  13.386  -2.691  -0.882
  425   1HD   LYS  61          HD2       LYS  61  14.066  -4.373   0.516
  426   2HD   LYS  61          HD3       LYS  61  15.525  -3.366   0.387
  427   1HE   LYS  61          HE2       LYS  61  14.949  -2.311   2.590
  428   2HE   LYS  61          HE3       LYS  61  13.446  -3.254   2.640
  429   1HZ   LYS  61          HZ1       LYS  61  15.148  -4.233   3.983
  430   2HZ   LYS  61          HZ2       LYS  61  14.668  -5.247   2.788
  431   3HZ   LYS  61          HZ3       LYS  61  16.118  -4.464   2.675
  432    H    CYS  62           HN       CYS  62  13.707   0.759  -3.068
  433    HA   CYS  62           HA       CYS  62  11.166   0.432  -4.130
  434   1HB   CYS  62          HB2       CYS  62  13.664  -0.412  -5.600
  435   2HB   CYS  62          HB3       CYS  62  12.172   0.214  -6.289
  436    H    GLY  63           H        GLY  63  13.713  -2.011  -4.206
  437   1HA   GLY  63          HA2       GLY  63  12.189  -4.167  -5.208
  438   2HA   GLY  63          HA3       GLY  63  13.763  -4.256  -4.441
  439    H    GLY  64           H        GLY  64  11.549  -2.832  -2.289
  440   1HA   GLY  64          HA2       GLY  64  10.954  -5.402  -0.862
  441   2HA   GLY  64          HA3       GLY  64  10.999  -3.790  -0.149
  442    H    CYS  65           HN       CYS  65   9.596  -2.626  -2.599
  443    HA   CYS  65           HA       CYS  65   6.800  -3.584  -2.057
  444   1HB   CYS  65          HB2       CYS  65   7.935  -1.107  -3.337
  445   2HB   CYS  65          HB3       CYS  65   6.277  -1.650  -3.593
  446    H    HIS  66           HN       HIS  66   8.923  -2.697  -4.841
  447    HA   HIS  66           HA       HIS  66   7.260  -4.324  -6.652
  448   1HB   HIS  66          HB2       HIS  66   9.841  -2.794  -7.129
  449   2HB   HIS  66          HB3       HIS  66   8.833  -3.534  -8.333
  450    HD1  HIS  66           HND      HIS  66   6.807  -2.306  -9.180
  451    HD2  HIS  66           HD       HIS  66   8.811  -0.426  -6.043
  452    HE1  HIS  66           HE       HIS  66   5.865   0.073  -9.056
  453    H    ILE  67           H        ILE  67   7.711  -6.444  -7.297
  454    HA   ILE  67           HA       ILE  67   9.783  -7.979  -6.069
  455    HB   ILE  67           HB       ILE  67   8.353  -8.453  -8.708
  456   1HG1  ILE  67          HG1       ILE  67   6.737  -8.328  -6.929
  457   2HG1  ILE  67          HG1       ILE  67   6.918  -9.991  -7.447
  458   1HG2  ILE  67          HG2       ILE  67  10.037 -10.352  -7.028
  459   2HG2  ILE  67          HG2       ILE  67   8.900 -10.880  -8.283
  460   3HG2  ILE  67          HG2       ILE  67  10.281  -9.883  -8.723
  461   1HD1  ILE  67          HD1       ILE  67   8.373 -10.417  -5.424
  462   2HD1  ILE  67          HD1       ILE  67   8.041  -8.749  -4.893
  463   3HD1  ILE  67          HD1       ILE  67   6.721  -9.912  -5.038
  464    H    LYS  68           H        LYS  68  11.740  -8.882  -6.880
  465    HA   LYS  68           HA       LYS  68  13.043  -7.789  -9.210
  466   1HB   LYS  68          HB2       LYS  68  15.058  -7.154  -7.945
  467   2HB   LYS  68          HB3       LYS  68  13.698  -6.069  -7.602
  468   1HG   LYS  68          HG2       LYS  68  13.293  -7.043  -5.472
  469   2HG   LYS  68          HG3       LYS  68  14.247  -8.483  -5.850
  470   1HD   LYS  68          HD2       LYS  68  16.315  -7.147  -5.951
  471   2HD   LYS  68          HD3       LYS  68  15.404  -5.688  -5.499
  472   1HE   LYS  68          HE2       LYS  68  14.734  -6.768  -3.355
  473   2HE   LYS  68          HE3       LYS  68  15.539  -8.267  -3.838
  474   1HZ   LYS  68          HZ1       LYS  68  17.630  -7.096  -3.847
  475   2HZ   LYS  68          HZ2       LYS  68  16.903  -5.693  -3.388
  476   3HZ   LYS  68          HZ3       LYS  68  16.922  -6.986  -2.367
  477    HHA  HEC 130           HCM      HEC  30 -10.563  -0.169  -2.843
  478    HHB  HEC 130           HDM      HEC  30 -13.355  -2.722   2.180
  479    HHC  HEC 130           HAM      HEC  30  -7.710  -3.525   4.791
  480    HHD  HEC 130           HBM      HEC  30  -5.270  -0.109   0.336
  481   1HMA  HEC 130          HM8       HEC  30 -15.235  -1.345  -0.784
  482   2HMA  HEC 130          HM8       HEC  30 -14.839  -2.880   0.002
  483   3HMA  HEC 130          HM8       HEC  30 -14.994  -1.385   0.961
  484   1HAA  HEC 130          HP7       HEC  30 -12.649  -0.110  -3.247
  485   2HAA  HEC 130          HP7       HEC  30 -14.163  -0.070  -2.370
  486   1HBA  HEC 130          HP7       HEC  30 -14.281  -1.573  -4.259
  487   2HBA  HEC 130          HP7       HEC  30 -14.477  -2.476  -2.759
  488   1HMB  HEC 130          HM1       HEC  30 -13.599  -3.014   4.701
  489   2HMB  HEC 130          HM1       HEC  30 -13.444  -4.598   3.897
  490   3HMB  HEC 130          HM1       HEC  30 -12.861  -4.369   5.551
  491    HAB  HEC 130           HT2      HEC  30  -9.023  -4.343   6.132
  492   1HBB  HEC 130          HT2       HEC  30  -9.708  -6.368   4.943
  493   2HBB  HEC 130          HT2       HEC  30 -10.056  -6.468   6.680
  494   3HBB  HEC 130          HT2       HEC  30 -11.368  -6.157   5.536
  495   1HMC  HEC 130          HM3       HEC  30  -4.086  -2.599   4.549
  496   2HMC  HEC 130          HM3       HEC  30  -5.542  -2.937   5.488
  497   3HMC  HEC 130          HM3       HEC  30  -5.012  -4.056   4.187
  498    HAC  HEC 130           HT4      HEC  30  -4.247   0.400   2.077
  499   1HBC  HEC 130          HT4       HEC  30  -2.926  -1.300   1.210
  500   2HBC  HEC 130          HT4       HEC  30  -2.056  -0.568   2.576
  501   3HBC  HEC 130          HT4       HEC  30  -2.805  -2.165   2.763
  502   1HMD  HEC 130          HM5       HEC  30  -4.727   0.130  -2.030
  503   2HMD  HEC 130          HM5       HEC  30  -5.565   1.450  -2.898
  504   3HMD  HEC 130          HM5       HEC  30  -5.165   1.631  -1.190
  505   1HAD  HEC 130          HP6       HEC  30  -7.688   2.026  -3.593
  506   2HAD  HEC 130          HP6       HEC  30  -9.102   1.132  -4.011
  507   1HBD  HEC 130          HP6       HEC  30  -7.868  -0.545  -5.180
  508   2HBD  HEC 130          HP6       HEC  30  -6.330   0.120  -4.657
  509    HHA  HEC 153           HCM      HEC  53   5.618  -4.765   5.238
  510    HHB  HEC 153           HDM      HEC  53   3.213  -3.815  -0.448
  511    HHC  HEC 153           HAM      HEC  53  -0.223   0.812   1.839
  512    HHD  HEC 153           HBM      HEC  53   1.712  -0.513   7.584
  513   1HMA  HEC 153          HM8       HEC  53   5.799  -5.056  -0.499
  514   2HMA  HEC 153          HM8       HEC  53   5.585  -6.598   0.328
  515   3HMA  HEC 153          HM8       HEC  53   4.210  -5.854  -0.470
  516   1HAA  HEC 153          HP7       HEC  53   6.542  -6.822   2.266
  517   2HAA  HEC 153          HP7       HEC  53   6.416  -6.395   3.950
  518   1HBA  HEC 153          HP7       HEC  53   7.862  -4.431   3.569
  519   2HBA  HEC 153          HP7       HEC  53   7.902  -4.814   1.840
  520   1HMB  HEC 153          HM1       HEC  53   1.174  -2.698  -2.319
  521   2HMB  HEC 153          HM1       HEC  53   1.883  -1.069  -2.512
  522   3HMB  HEC 153          HM1       HEC  53   2.899  -2.401  -2.044
  523    HAB  HEC 153           HT2      HEC  53  -1.163  -0.096  -0.195
  524   1HBB  HEC 153          HT2       HEC  53   0.311   0.375  -2.771
  525   2HBB  HEC 153          HT2       HEC  53  -0.592  -1.120  -2.371
  526   3HBB  HEC 153          HT2       HEC  53  -1.410   0.438  -2.447
  527   1HMC  HEC 153          HM3       HEC  53  -2.013   2.012   4.618
  528   2HMC  HEC 153          HM3       HEC  53  -0.654   3.092   4.264
  529   3HMC  HEC 153          HM3       HEC  53  -1.379   2.092   3.008
  530    HAC  HEC 153           HT4      HEC  53  -0.121   0.684   7.800
  531   1HBC  HEC 153          HT4       HEC  53  -1.337   3.120   6.491
  532   2HBC  HEC 153          HT4       HEC  53  -2.174   1.584   6.821
  533   3HBC  HEC 153          HT4       HEC  53  -1.499   2.548   8.139
  534   1HMD  HEC 153          HM5       HEC  53   4.205  -2.438   9.613
  535   2HMD  HEC 153          HM5       HEC  53   3.514  -0.898   9.112
  536   3HMD  HEC 153          HM5       HEC  53   2.447  -2.288   9.437
  537   1HAD  HEC 153          HP6       HEC  53   4.963  -5.448   7.338
  538   2HAD  HEC 153          HP6       HEC  53   4.178  -4.703   8.714
  539   1HBD  HEC 153          HP6       HEC  53   6.269  -3.122   8.777
  540   2HBD  HEC 153          HP6       HEC  53   7.017  -4.353   7.759
  541    HHA  HEC 166           HCM      HEC  66   3.886   2.622 -10.178
  542    HHB  HEC 166           HDM      HEC  66  10.132   2.737 -10.047
  543    HHC  HEC 166           HAM      HEC  66   9.933   2.412  -3.821
  544    HHD  HEC 166           HBM      HEC  66   3.925   0.924  -4.194
  545   1HMA  HEC 166          HM8       HEC  66   8.112   3.458 -13.127
  546   2HMA  HEC 166          HM8       HEC  66   9.182   4.267 -11.977
  547   3HMA  HEC 166          HM8       HEC  66   9.394   2.538 -12.336
  548   1HAA  HEC 166          HP7       HEC  66   5.917   4.198 -12.791
  549   2HAA  HEC 166          HP7       HEC  66   4.484   3.490 -12.071
  550   1HBA  HEC 166          HP7       HEC  66   4.966   1.320 -12.966
  551   2HBA  HEC 166          HP7       HEC  66   6.566   1.819 -13.505
  552   1HMB  HEC 166          HM1       HEC  66  12.301   2.017  -9.244
  553   2HMB  HEC 166          HM1       HEC  66  12.267   3.778  -8.987
  554   3HMB  HEC 166          HM1       HEC  66  13.218   2.730  -7.925
  555    HAB  HEC 166           HT2      HEC  66  11.861   3.026  -4.243
  556   1HBB  HEC 166          HT2       HEC  66  11.898   5.208  -5.398
  557   2HBB  HEC 166          HT2       HEC  66  13.484   4.713  -4.772
  558   3HBB  HEC 166          HT2       HEC  66  13.137   4.585  -6.500
  559   1HMC  HEC 166          HM3       HEC  66   7.911   1.501  -0.867
  560   2HMC  HEC 166          HM3       HEC  66   9.157   0.734  -1.852
  561   3HMC  HEC 166          HM3       HEC  66   9.107   2.505  -1.690
  562    HAC  HEC 166           HT4      HEC  66   4.716  -0.100  -2.495
  563   1HBC  HEC 166          HT4       HEC  66   5.717   1.817  -0.361
  564   2HBC  HEC 166          HT4       HEC  66   4.286   2.049  -1.378
  565   3HBC  HEC 166          HT4       HEC  66   4.353   0.684  -0.252
  566   1HMD  HEC 166          HM5       HEC  66   1.401   1.750  -5.049
  567   2HMD  HEC 166          HM5       HEC  66   0.912   0.721  -6.401
  568   3HMD  HEC 166          HM5       HEC  66   1.980   0.075  -5.167
  569   1HAD  HEC 166          HP6       HEC  66   1.746   2.459  -9.577
  570   2HAD  HEC 166          HP6       HEC  66   0.770   2.019  -8.205
  571   1HBD  HEC 166          HP6       HEC  66   0.631  -0.086  -8.971
  572   2HBD  HEC 166          HP6       HEC  66   2.372  -0.241  -8.942
  Start of MODEL    9
    1   1H    ALA   1          H1        ALA   1 -10.452  -8.434  -3.686
    2   2H    ALA   1          H2        ALA   1 -11.166  -6.968  -3.943
    3   3H    ALA   1          H3        ALA   1  -9.552  -7.064  -3.634
    4    HA   ALA   1           HA       ALA   1 -10.579  -6.326  -1.635
    5   1HB   ALA   1          HB1       ALA   1 -12.854  -7.028  -2.298
    6   2HB   ALA   1          HB2       ALA   1 -12.417  -8.725  -1.995
    7   3HB   ALA   1          HB3       ALA   1 -12.465  -7.562  -0.654
    8    H    ASP   2           H        ASP   2  -8.755  -8.802  -2.674
    9    HA   ASP   2           HA       ASP   2  -8.169 -10.179  -0.152
   10   1HB   ASP   2          HB2       ASP   2  -8.959 -12.180  -1.516
   11   2HB   ASP   2          HB3       ASP   2 -10.244 -11.058  -1.081
   12    H    VAL   3           H        VAL   3  -6.013  -9.370  -0.418
   13    HA   VAL   3           HA       VAL   3  -3.871  -9.237  -1.186
   14    HB   VAL   3           HB       VAL   3  -4.470 -12.105  -1.879
   15   1HG1  VAL   3          HG1       VAL   3  -2.221 -11.395  -2.725
   16   2HG1  VAL   3          HG1       VAL   3  -1.849 -10.700  -1.134
   17   3HG1  VAL   3          HG1       VAL   3  -2.048 -12.451  -1.323
   18   1HG2  VAL   3          HG2       VAL   3  -3.648 -12.555   0.436
   19   2HG2  VAL   3          HG2       VAL   3  -3.596 -10.808   0.738
   20   3HG2  VAL   3          HG2       VAL   3  -5.146 -11.625   0.428
   21    H    VAL   4           H        VAL   4  -4.385  -7.628  -2.729
   22    HA   VAL   4           HA       VAL   4  -4.830  -8.509  -5.529
   23    HB   VAL   4           HB       VAL   4  -4.953  -5.740  -4.292
   24   1HG1  VAL   4          HG1       VAL   4  -4.562  -5.694  -6.744
   25   2HG1  VAL   4          HG1       VAL   4  -5.919  -6.811  -6.984
   26   3HG1  VAL   4          HG1       VAL   4  -6.204  -5.176  -6.353
   27   1HG2  VAL   4          HG2       VAL   4  -7.152  -7.757  -4.918
   28   2HG2  VAL   4          HG2       VAL   4  -6.684  -7.177  -3.305
   29   3HG2  VAL   4          HG2       VAL   4  -7.415  -6.060  -4.464
   30    H    THR   5           H        THR   5  -2.926  -9.061  -6.546
   31    HA   THR   5           HA       THR   5  -0.510  -7.415  -6.265
   32    HB   THR   5           HB       THR   5  -1.155  -9.773  -8.048
   33    HG1  THR   5           HG1      THR   5   0.817  -9.496  -6.057
   34   1HG2  THR   5          HG2       THR   5   1.504  -8.339  -7.575
   35   2HG2  THR   5          HG2       THR   5   1.235  -9.806  -8.548
   36   3HG2  THR   5          HG2       THR   5   0.573  -8.257  -9.082
   37    H    TYR   6           H        TYR   6  -0.232  -5.533  -7.128
   38    HA   TYR   6           HA       TYR   6  -1.455  -4.737  -9.708
   39   1HB   TYR   6          HB2       TYR   6   0.191  -3.427  -7.552
   40   2HB   TYR   6          HB3       TYR   6   0.299  -2.783  -9.157
   41    HD1  TYR   6           HD1      TYR   6  -2.599  -4.232  -7.189
   42    HD2  TYR   6           HD2      TYR   6  -0.995  -0.839  -9.296
   43    HE1  TYR   6           HE1      TYR   6  -4.553  -2.867  -6.495
   44    HE2  TYR   6           HE2      TYR   6  -2.966   0.509  -8.618
   45    HH   TYR   6           HH       TYR   6  -5.772  -0.887  -7.022
   46    H    GLU   7           H        GLU   7  -0.586  -5.880 -11.342
   47    HA   GLU   7           HA       GLU   7   2.284  -6.375 -11.569
   48   1HB   GLU   7          HB2       GLU   7  -0.039  -7.164 -13.363
   49   2HB   GLU   7          HB3       GLU   7   1.628  -7.760 -13.468
   50   1HG   GLU   7          HG2       GLU   7   1.372  -8.461 -11.073
   51   2HG   GLU   7          HG3       GLU   7  -0.375  -8.126 -11.171
   52    H    ASN   8           H        ASN   8   3.602  -4.850 -12.257
   53    HA   ASN   8           HA       ASN   8   2.742  -2.954 -14.399
   54   1HB   ASN   8          HB2       ASN   8   4.492  -1.891 -12.257
   55   2HB   ASN   8          HB3       ASN   8   3.071  -1.174 -13.045
   56   1HD2  ASN   8          HD2       ASN   8   4.251  -3.151 -10.343
   57   2HD2  ASN   8          HD2       ASN   8   2.673  -3.381  -9.624
   58    H    ALA   9           H        ALA   9   4.651  -1.754 -15.358
   59    HA   ALA   9           HA       ALA   9   6.434  -3.758 -16.414
   60   1HB   ALA   9          HB1       ALA   9   7.382  -1.887 -17.673
   61   2HB   ALA   9          HB2       ALA   9   5.606  -1.811 -17.685
   62   3HB   ALA   9          HB3       ALA   9   6.534  -0.725 -16.627
   63    H    ALA  10           H        ALA  10   6.692  -1.570 -13.717
   64    HA   ALA  10           HA       ALA  10   9.611  -1.782 -13.452
   65   1HB   ALA  10          HB1       ALA  10   8.430   0.234 -12.753
   66   2HB   ALA  10          HB2       ALA  10   7.490  -0.695 -11.561
   67   3HB   ALA  10          HB3       ALA  10   9.249  -0.514 -11.373
   68    H    GLY  11           H        GLY  11   7.079  -3.982 -12.754
   69   1HA   GLY  11          HA2       GLY  11   7.886  -6.152 -11.598
   70   2HA   GLY  11          HA3       GLY  11   8.458  -5.070 -10.330
   71    H    ASN  12           H        ASN  12   6.375  -7.184 -10.175
   72    HA   ASN  12           HA       ASN  12   4.008  -5.540  -9.564
   73   1HB   ASN  12          HB2       ASN  12   2.757  -7.354  -9.134
   74   2HB   ASN  12          HB3       ASN  12   3.641  -7.698 -10.609
   75   1HD2  ASN  12          HD2       ASN  12   3.038 -10.006 -10.255
   76   2HD2  ASN  12          HD2       ASN  12   4.089 -10.904  -9.172
   77    H    VAL  13           H        VAL  13   2.986  -5.594  -7.539
   78    HA   VAL  13           HA       VAL  13   5.002  -5.239  -5.368
   79    HB   VAL  13           HB       VAL  13   4.521  -3.176  -6.289
   80   1HG1  VAL  13          HG1       VAL  13   2.290  -2.224  -6.416
   81   2HG1  VAL  13          HG1       VAL  13   2.480  -3.605  -7.478
   82   3HG1  VAL  13          HG1       VAL  13   1.600  -3.804  -5.933
   83   1HG2  VAL  13          HG2       VAL  13   4.540  -3.321  -3.736
   84   2HG2  VAL  13          HG2       VAL  13   3.676  -1.929  -4.408
   85   3HG2  VAL  13          HG2       VAL  13   2.762  -3.323  -3.808
   86    H    THR  14           H        THR  14   1.680  -6.370  -5.740
   87    HA   THR  14           HA       THR  14   0.285  -7.439  -4.302
   88    HB   THR  14           HB       THR  14   2.905  -8.225  -3.129
   89    HG1  THR  14           HG1      THR  14   0.721  -9.791  -3.884
   90   1HG2  THR  14          HG2       THR  14   1.656  -9.802  -1.637
   91   2HG2  THR  14          HG2       THR  14   1.579  -8.138  -1.072
   92   3HG2  THR  14          HG2       THR  14   0.178  -8.859  -1.892
   93    H    PHE  15           H        PHE  15  -1.120  -6.030  -3.775
   94    HA   PHE  15           HA       PHE  15  -0.857  -4.421  -1.270
   95   1HB   PHE  15          HB2       PHE  15  -3.059  -4.712  -3.352
   96   2HB   PHE  15          HB3       PHE  15  -3.202  -3.798  -1.857
   97    HD1  PHE  15           HD1      PHE  15  -0.119  -3.643  -4.019
   98    HD2  PHE  15           HD2      PHE  15  -3.954  -1.907  -3.057
   99    HE1  PHE  15           HE1      PHE  15   0.205  -1.929  -5.716
  100    HE2  PHE  15           HE2      PHE  15  -3.568  -0.171  -4.757
  101    HZ   PHE  15           HZ       PHE  15  -1.457  -0.153  -6.061
  102    H    ASP  16           H        ASP  16  -0.979  -5.993   0.466
  103    HA   ASP  16           HA       ASP  16  -2.971  -8.097   0.328
  104   1HB   ASP  16          HB2       ASP  16  -1.880  -7.014   2.856
  105   2HB   ASP  16          HB3       ASP  16  -2.504  -8.633   2.477
  106    H    HIS  17           HN       HIS  17  -5.054  -7.443   0.041
  107    HA   HIS  17           HA       HIS  17  -6.297  -5.465   1.856
  108   1HB   HIS  17          HB2       HIS  17  -7.214  -7.429  -0.179
  109   2HB   HIS  17          HB3       HIS  17  -8.267  -7.249   1.225
  110    HD1  HIS  17           HND      HIS  17  -6.623  -5.002  -1.433
  111    HD2  HIS  17           HD       HIS  17  -9.453  -4.955   1.640
  112    HE1  HIS  17           HE       HIS  17  -7.427  -2.634  -1.271
  113    H    LYS  18           H        LYS  18  -6.371  -9.063   1.742
  114    HA   LYS  18           HA       LYS  18  -7.497  -9.373   4.187
  115   1HB   LYS  18          HB2       LYS  18  -7.166 -10.915   2.109
  116   2HB   LYS  18          HB3       LYS  18  -5.755 -11.535   2.958
  117   1HG   LYS  18          HG2       LYS  18  -8.561 -11.369   4.165
  118   2HG   LYS  18          HG3       LYS  18  -8.056 -12.735   3.181
  119   1HD   LYS  18          HD2       LYS  18  -6.372 -11.904   5.543
  120   2HD   LYS  18          HD3       LYS  18  -7.850 -12.833   5.809
  121   1HE   LYS  18          HE2       LYS  18  -7.046 -14.640   4.360
  122   2HE   LYS  18          HE3       LYS  18  -5.572 -13.728   3.974
  123   1HZ   LYS  18          HZ1       LYS  18  -4.965 -13.813   6.299
  124   2HZ   LYS  18          HZ2       LYS  18  -6.317 -14.470   6.740
  125   3HZ   LYS  18          HZ3       LYS  18  -5.261 -15.381   5.819
  126    H    ALA  19           H        ALA  19  -3.997 -10.109   3.466
  127    HA   ALA  19           HA       ALA  19  -3.459 -10.762   6.139
  128   1HB   ALA  19          HB1       ALA  19  -1.413  -9.840   4.080
  129   2HB   ALA  19          HB2       ALA  19  -1.122 -10.844   5.507
  130   3HB   ALA  19          HB3       ALA  19  -2.099 -11.481   4.168
  131    H    HIS  20           HN       HIS  20  -2.751  -7.634   4.489
  132    HA   HIS  20           HA       HIS  20  -1.687  -6.354   6.827
  133   1HB   HIS  20          HB2       HIS  20  -2.965  -5.320   4.311
  134   2HB   HIS  20          HB3       HIS  20  -2.724  -4.253   5.661
  135    HD1  HIS  20           HND      HIS  20  -0.202  -6.614   3.701
  136    HD2  HIS  20           HD       HIS  20  -0.696  -2.725   5.294
  137    HE1  HIS  20           HE       HIS  20   1.793  -5.357   3.084
  138    H    ALA  21           H        ALA  21  -5.116  -6.483   5.541
  139    HA   ALA  21           HA       ALA  21  -6.321  -4.972   7.564
  140   1HB   ALA  21          HB1       ALA  21  -7.467  -7.393   6.116
  141   2HB   ALA  21          HB2       ALA  21  -8.366  -6.199   7.055
  142   3HB   ALA  21          HB3       ALA  21  -7.521  -5.704   5.572
  143    H    GLU  22           H        GLU  22  -5.643  -8.507   7.629
  144    HA   GLU  22           HA       GLU  22  -6.932  -9.135  10.019
  145   1HB   GLU  22          HB2       GLU  22  -4.462 -10.239   8.661
  146   2HB   GLU  22          HB3       GLU  22  -5.084 -10.951  10.151
  147   1HG   GLU  22          HG2       GLU  22  -7.260 -11.256   9.027
  148   2HG   GLU  22          HG3       GLU  22  -6.605 -10.608   7.521
  149    H    LYS  23           H        LYS  23  -3.949  -7.255   9.704
  150    HA   LYS  23           HA       LYS  23  -3.689  -7.173  12.683
  151   1HB   LYS  23          HB2       LYS  23  -1.757  -6.782  10.377
  152   2HB   LYS  23          HB3       LYS  23  -1.422  -6.265  12.035
  153   1HG   LYS  23          HG2       LYS  23  -1.770  -8.562  12.873
  154   2HG   LYS  23          HG3       LYS  23  -2.246  -9.105  11.264
  155   1HD   LYS  23          HD2       LYS  23   0.016  -9.819  11.771
  156   2HD   LYS  23          HD3       LYS  23  -0.002  -8.716  10.386
  157   1HE   LYS  23          HE2       LYS  23   0.823  -6.885  11.703
  158   2HE   LYS  23          HE3       LYS  23   0.612  -7.760  13.233
  159   1HZ   LYS  23          HZ1       LYS  23   2.909  -7.617  12.008
  160   2HZ   LYS  23          HZ2       LYS  23   2.498  -9.086  12.714
  161   3HZ   LYS  23          HZ3       LYS  23   2.380  -8.757  11.091
  162    H    LEU  24           H        LEU  24  -4.227  -5.176   9.819
  163    HA   LEU  24           HA       LEU  24  -4.010  -2.652  11.351
  164   1HB   LEU  24          HB2       LEU  24  -4.506  -3.235   8.409
  165   2HB   LEU  24          HB3       LEU  24  -4.251  -1.659   9.146
  166    HG   LEU  24           HG       LEU  24  -2.177  -3.843   8.905
  167   1HD1  LEU  24          HD1       LEU  24  -1.067  -2.158   7.514
  168   2HD1  LEU  24          HD1       LEU  24  -2.716  -2.420   6.897
  169   3HD1  LEU  24          HD1       LEU  24  -2.353  -0.983   7.854
  170   1HD2  LEU  24          HD2       LEU  24  -1.777  -2.784  11.065
  171   2HD2  LEU  24          HD2       LEU  24  -0.633  -2.117   9.899
  172   3HD2  LEU  24          HD2       LEU  24  -2.055  -1.167  10.371
  173    H    GLY  25           H        GLY  25  -6.624  -4.715  10.373
  174   1HA   GLY  25          HA2       GLY  25  -8.836  -4.559  10.858
  175   2HA   GLY  25          HA3       GLY  25  -8.451  -3.186  11.889
  176    H    CYS  26           HN       CYS  26  -8.036  -3.293   8.401
  177    HA   CYS  26           HA       CYS  26  -8.835  -2.141   6.627
  178   1HB   CYS  26          HB2       CYS  26 -11.378  -1.778   8.161
  179   2HB   CYS  26          HB3       CYS  26 -11.157  -1.665   6.409
  180    H    ASP  27           H        ASP  27 -10.036  -0.462   9.521
  181    HA   ASP  27           HA       ASP  27 -10.462   2.096   8.766
  182   1HB   ASP  27          HB2       ASP  27 -10.929   1.113  10.952
  183   2HB   ASP  27          HB3       ASP  27  -9.198   0.978  11.306
  184    H    ALA  28           H        ALA  28  -7.377   0.714   9.760
  185    HA   ALA  28           HA       ALA  28  -5.529   2.716   9.643
  186   1HB   ALA  28          HB1       ALA  28  -3.971   0.914   8.877
  187   2HB   ALA  28          HB2       ALA  28  -5.100   0.350  10.126
  188   3HB   ALA  28          HB3       ALA  28  -5.409  -0.042   8.411
  189    H    CYS  29           HN       CYS  29  -7.135   1.357   6.765
  190    HA   CYS  29           HA       CYS  29  -5.519   3.147   4.950
  191   1HB   CYS  29          HB2       CYS  29  -6.943   0.531   4.441
  192   2HB   CYS  29          HB3       CYS  29  -6.165   1.558   3.223
  193    H    HIS  30           HN       HIS  30  -8.435   3.091   6.506
  194    HA   HIS  30           HA       HIS  30 -10.029   4.282   4.319
  195   1HB   HIS  30          HB2       HIS  30 -10.483   1.578   5.661
  196   2HB   HIS  30          HB3       HIS  30 -11.767   2.434   4.840
  197    HD1  HIS  30           HND      HIS  30 -10.491   3.163   2.123
  198    HD2  HIS  30           HD       HIS  30  -9.903  -0.426   4.163
  199    HE1  HIS  30           HE       HIS  30 -10.139   1.346   0.323
  200    H    GLU  31           H        GLU  31 -10.106   6.120   5.522
  201    HA   GLU  31           HA       GLU  31 -10.697   6.377   8.147
  202   1HB   GLU  31          HB2       GLU  31 -11.291   8.159   5.761
  203   2HB   GLU  31          HB3       GLU  31 -11.546   8.716   7.414
  204   1HG   GLU  31          HG2       GLU  31  -8.835   7.653   6.468
  205   2HG   GLU  31          HG3       GLU  31  -9.309   9.353   6.373
  206    H    GLY  32           H        GLY  32 -12.287   4.788   8.642
  207   1HA   GLY  32          HA2       GLY  32 -14.392   4.306   9.518
  208   2HA   GLY  32          HA3       GLY  32 -15.033   5.821   8.874
  209    H    THR  33           H        THR  33 -14.996   5.817   6.326
  210    HA   THR  33           HA       THR  33 -16.667   3.498   5.536
  211    HB   THR  33           HB       THR  33 -16.295   6.182   4.193
  212    HG1  THR  33           HG1      THR  33 -18.470   6.372   5.040
  213   1HG2  THR  33          HG2       THR  33 -18.357   5.512   2.953
  214   2HG2  THR  33          HG2       THR  33 -17.015   4.431   2.563
  215   3HG2  THR  33          HG2       THR  33 -18.279   3.903   3.696
  216    HA   PRO  34           HA       PRO  34 -13.089   2.305   2.946
  217   1HB   PRO  34          HB2       PRO  34 -13.814  -0.195   2.297
  218   2HB   PRO  34          HB3       PRO  34 -13.269   0.202   3.953
  219   1HG   PRO  34          HG2       PRO  34 -16.131  -0.008   2.944
  220   2HG   PRO  34          HG3       PRO  34 -15.435  -0.778   4.401
  221   1HD   PRO  34          HD2       PRO  34 -16.812   1.568   4.475
  222   2HD   PRO  34          HD3       PRO  34 -15.426   1.271   5.570
  223    H    ALA  35           H        ALA  35 -12.773   2.497   0.772
  224    HA   ALA  35           HA       ALA  35 -14.780   2.027  -1.257
  225   1HB   ALA  35          HB1       ALA  35 -14.011   4.894  -0.560
  226   2HB   ALA  35          HB2       ALA  35 -14.913   4.387  -2.004
  227   3HB   ALA  35          HB3       ALA  35 -15.628   4.177  -0.395
  228    H    LYS  36           H        LYS  36 -13.732   2.172  -3.428
  229    HA   LYS  36           HA       LYS  36 -10.969   1.780  -3.450
  230   1HB   LYS  36          HB2       LYS  36 -11.070   2.091  -5.897
  231   2HB   LYS  36          HB3       LYS  36 -12.304   1.029  -5.229
  232   1HG   LYS  36          HG2       LYS  36 -13.877   3.062  -5.258
  233   2HG   LYS  36          HG3       LYS  36 -12.668   3.902  -6.227
  234   1HD   LYS  36          HD2       LYS  36 -12.974   2.484  -8.079
  235   2HD   LYS  36          HD3       LYS  36 -13.458   1.120  -7.081
  236   1HE   LYS  36          HE2       LYS  36 -15.479   3.136  -6.697
  237   2HE   LYS  36          HE3       LYS  36 -15.173   3.031  -8.429
  238   1HZ   LYS  36          HZ1       LYS  36 -15.542   0.634  -8.243
  239   2HZ   LYS  36          HZ2       LYS  36 -15.707   0.732  -6.636
  240   3HZ   LYS  36          HZ3       LYS  36 -16.846   1.420  -7.601
  241    H    ILE  37           H        ILE  37  -9.177   2.887  -3.765
  242    HA   ILE  37           HA       ILE  37  -9.225   5.879  -3.827
  243    HB   ILE  37           HB       ILE  37  -7.335   3.931  -2.440
  244   1HG1  ILE  37          HG1       ILE  37  -9.077   6.083  -1.157
  245   2HG1  ILE  37          HG1       ILE  37  -9.601   4.408  -1.319
  246   1HG2  ILE  37          HG2       ILE  37  -6.092   5.876  -3.350
  247   2HG2  ILE  37          HG2       ILE  37  -7.246   6.984  -2.585
  248   3HG2  ILE  37          HG2       ILE  37  -6.170   5.976  -1.599
  249   1HD1  ILE  37          HD1       ILE  37  -7.649   3.624  -0.025
  250   2HD1  ILE  37          HD1       ILE  37  -7.186   5.316   0.275
  251   3HD1  ILE  37          HD1       ILE  37  -8.726   4.698   0.884
  252    H    ALA  38           H        ALA  38  -7.930   6.753  -5.505
  253    HA   ALA  38           HA       ALA  38  -6.911   4.889  -7.501
  254   1HB   ALA  38          HB1       ALA  38  -7.867   7.022  -8.180
  255   2HB   ALA  38          HB2       ALA  38  -6.549   7.888  -7.337
  256   3HB   ALA  38          HB3       ALA  38  -6.179   6.797  -8.698
  257    H    ILE  39           H        ILE  39  -5.278   3.708  -7.015
  258    HA   ILE  39           HA       ILE  39  -2.855   4.821  -5.707
  259    HB   ILE  39           HB       ILE  39  -3.617   1.947  -6.216
  260   1HG1  ILE  39          HG1       ILE  39  -5.142   2.935  -4.572
  261   2HG1  ILE  39          HG1       ILE  39  -3.980   1.862  -3.855
  262   1HG2  ILE  39          HG2       ILE  39  -1.229   2.133  -6.141
  263   2HG2  ILE  39          HG2       ILE  39  -1.302   3.357  -4.851
  264   3HG2  ILE  39          HG2       ILE  39  -1.704   1.681  -4.490
  265   1HD1  ILE  39          HD1       ILE  39  -4.310   3.810  -2.422
  266   2HD1  ILE  39          HD1       ILE  39  -2.641   3.762  -3.002
  267   3HD1  ILE  39          HD1       ILE  39  -3.814   4.896  -3.719
  268    H    ASP  40           H        ASP  40  -1.628   5.748  -7.053
  269    HA   ASP  40           HA       ASP  40  -0.761   4.441  -9.607
  270   1HB   ASP  40          HB2       ASP  40  -1.085   7.429  -9.010
  271   2HB   ASP  40          HB3       ASP  40  -0.773   6.675 -10.583
  272    H    LYS  41           H        LYS  41   1.477   5.050 -10.133
  273    HA   LYS  41           HA       LYS  41   3.390   5.821  -8.331
  274   1HB   LYS  41          HB2       LYS  41   4.744   6.529 -10.331
  275   2HB   LYS  41          HB3       LYS  41   3.941   4.962 -10.411
  276   1HG   LYS  41          HG2       LYS  41   2.126   6.021 -11.819
  277   2HG   LYS  41          HG3       LYS  41   3.090   7.510 -11.872
  278   1HD   LYS  41          HD2       LYS  41   4.882   6.380 -13.065
  279   2HD   LYS  41          HD3       LYS  41   4.247   4.818 -12.566
  280   1HE   LYS  41          HE2       LYS  41   2.175   5.266 -13.998
  281   2HE   LYS  41          HE3       LYS  41   3.093   6.609 -14.705
  282   1HZ   LYS  41          HZ1       LYS  41   4.789   4.881 -15.317
  283   2HZ   LYS  41          HZ2       LYS  41   3.803   3.691 -14.810
  284   3HZ   LYS  41          HZ3       LYS  41   3.338   4.623 -16.031
  285    H    LYS  42           H        LYS  42   1.305   7.493  -7.614
  286    HA   LYS  42           HA       LYS  42   2.766  10.000  -7.168
  287   1HB   LYS  42          HB2       LYS  42  -0.141   9.766  -8.090
  288   2HB   LYS  42          HB3       LYS  42   0.441  11.127  -7.118
  289   1HG   LYS  42          HG2       LYS  42   2.063  11.724  -8.855
  290   2HG   LYS  42          HG3       LYS  42   1.532  10.352  -9.851
  291   1HD   LYS  42          HD2       LYS  42  -0.745  11.244  -9.971
  292   2HD   LYS  42          HD3       LYS  42  -0.345  12.545  -8.834
  293   1HE   LYS  42          HE2       LYS  42   1.266  13.505 -10.449
  294   2HE   LYS  42          HE3       LYS  42   0.921  12.197 -11.594
  295   1HZ   LYS  42          HZ1       LYS  42  -1.052  14.175 -10.624
  296   2HZ   LYS  42          HZ2       LYS  42  -0.335  14.196 -12.102
  297   3HZ   LYS  42          HZ3       LYS  42  -1.358  12.973 -11.702
  298    H    SER  43           H        SER  43  -0.460   8.580  -6.373
  299    HA   SER  43           HA       SER  43  -0.493   9.127  -3.621
  300   1HB   SER  43          HB2       SER  43  -2.187   7.101  -3.787
  301   2HB   SER  43          HB3       SER  43  -2.526   8.628  -4.614
  302    HG   SER  43           HG       SER  43  -2.828   7.027  -6.105
  303    H    ALA  44           H        ALA  44   0.432   6.053  -5.301
  304    HA   ALA  44           HA       ALA  44   1.132   4.629  -2.946
  305   1HB   ALA  44          HB1       ALA  44   2.395   4.357  -5.711
  306   2HB   ALA  44          HB2       ALA  44   2.324   3.138  -4.427
  307   3HB   ALA  44          HB3       ALA  44   0.835   3.652  -5.255
  308    H    HIS  45           HN       HIS  45   2.830   7.237  -4.468
  309    HA   HIS  45           HA       HIS  45   5.445   6.417  -3.319
  310   1HB   HIS  45          HB2       HIS  45   4.684   8.413  -5.518
  311   2HB   HIS  45          HB3       HIS  45   6.331   8.073  -4.987
  312    HD1  HIS  45           HND      HIS  45   5.785   7.667  -7.958
  313    HD2  HIS  45           HD       HIS  45   5.518   4.725  -4.973
  314    HE1  HIS  45           HE       HIS  45   6.536   5.465  -9.020
  315    H    LYS  46           H        LYS  46   2.994   8.914  -3.115
  316    HA   LYS  46           HA       LYS  46   4.707  10.790  -1.625
  317   1HB   LYS  46          HB2       LYS  46   1.740  10.676  -2.292
  318   2HB   LYS  46          HB3       LYS  46   2.451  11.912  -1.229
  319   1HG   LYS  46          HG2       LYS  46   3.883  12.720  -3.006
  320   2HG   LYS  46          HG3       LYS  46   3.407  11.386  -4.061
  321   1HD   LYS  46          HD2       LYS  46   2.273  13.432  -4.703
  322   2HD   LYS  46          HD3       LYS  46   1.104  12.215  -4.199
  323   1HE   LYS  46          HE2       LYS  46   2.090  14.254  -2.163
  324   2HE   LYS  46          HE3       LYS  46   0.974  14.787  -3.422
  325   1HZ   LYS  46          HZ1       LYS  46  -0.576  13.039  -2.696
  326   2HZ   LYS  46          HZ2       LYS  46   0.387  12.652  -1.439
  327   3HZ   LYS  46          HZ3       LYS  46  -0.252  14.105  -1.493
  328    H    ASP  47           H        ASP  47   1.577   9.383  -0.685
  329    HA   ASP  47           HA       ASP  47   2.425   9.299   2.131
  330   1HB   ASP  47          HB2       ASP  47   0.047  10.368   2.311
  331   2HB   ASP  47          HB3       ASP  47   1.413  11.337   1.731
  332    H    ALA  48           H        ALA  48  -0.268   8.355  -0.038
  333    HA   ALA  48           HA       ALA  48  -1.333   6.263   1.536
  334   1HB   ALA  48          HB1       ALA  48  -1.099   6.244  -1.495
  335   2HB   ALA  48          HB2       ALA  48  -2.255   5.342  -0.505
  336   3HB   ALA  48          HB3       ALA  48  -2.348   7.114  -0.572
  337    H    CYS  49           HN       CYS  49  -0.531   4.403   2.234
  338    HA   CYS  49           HA       CYS  49   0.809   2.627   2.638
  339   1HB   CYS  49          HB2       CYS  49   1.923   2.877  -0.164
  340   2HB   CYS  49          HB3       CYS  49   2.031   1.514   0.937
  341    H    LYS  50           H        LYS  50   2.834   4.872   0.683
  342    HA   LYS  50           HA       LYS  50   5.233   4.510   1.952
  343   1HB   LYS  50          HB2       LYS  50   3.875   6.916   0.756
  344   2HB   LYS  50          HB3       LYS  50   5.489   7.089   1.434
  345   1HG   LYS  50          HG2       LYS  50   5.081   4.736  -0.404
  346   2HG   LYS  50          HG3       LYS  50   4.950   6.331  -1.098
  347   1HD   LYS  50          HD2       LYS  50   7.219   5.532  -1.343
  348   2HD   LYS  50          HD3       LYS  50   7.168   6.976  -0.327
  349   1HE   LYS  50          HE2       LYS  50   7.370   5.574   1.718
  350   2HE   LYS  50          HE3       LYS  50   7.329   4.103   0.736
  351   1HZ   LYS  50          HZ1       LYS  50   9.574   4.760   1.377
  352   2HZ   LYS  50          HZ2       LYS  50   9.409   4.761  -0.253
  353   3HZ   LYS  50          HZ3       LYS  50   9.421   6.181   0.563
  354    H    THR  51           H        THR  51   2.874   7.005   3.166
  355    HA   THR  51           HA       THR  51   4.625   7.871   5.237
  356    HB   THR  51           HB       THR  51   1.610   8.075   4.972
  357    HG1  THR  51           HG1      THR  51   3.605  10.077   4.923
  358   1HG2  THR  51          HG2       THR  51   1.786   9.865   6.719
  359   2HG2  THR  51          HG2       THR  51   2.037   8.250   7.385
  360   3HG2  THR  51          HG2       THR  51   3.432   9.315   7.093
  361    H    CYS  52           HN       CYS  52   1.994   5.454   5.436
  362    HA   CYS  52           HA       CYS  52   2.287   4.804   8.203
  363   1HB   CYS  52          HB2       CYS  52   0.433   4.052   6.803
  364   2HB   CYS  52          HB3       CYS  52   1.535   2.991   5.897
  365    H    HIS  53           HN       HIS  53   3.795   3.308   5.299
  366    HA   HIS  53           HA       HIS  53   5.572   1.621   6.698
  367   1HB   HIS  53          HB2       HIS  53   5.452   2.857   3.947
  368   2HB   HIS  53          HB3       HIS  53   6.933   2.062   4.462
  369    HD1  HIS  53           HND      HIS  53   6.828  -0.396   5.295
  370    HD2  HIS  53           HD       HIS  53   3.229   1.023   3.794
  371    HE1  HIS  53           HE       HIS  53   5.409  -2.434   4.870
  372    H    LYS  54           H        LYS  54   6.234   5.015   5.662
  373    HA   LYS  54           HA       LYS  54   8.883   5.377   6.541
  374   1HB   LYS  54          HB2       LYS  54   6.648   7.370   6.678
  375   2HB   LYS  54          HB3       LYS  54   8.385   7.619   6.914
  376   1HG   LYS  54          HG2       LYS  54   8.706   6.474   4.625
  377   2HG   LYS  54          HG3       LYS  54   6.998   6.865   4.378
  378   1HD   LYS  54          HD2       LYS  54   7.654   9.220   5.276
  379   2HD   LYS  54          HD3       LYS  54   9.324   8.652   5.048
  380   1HE   LYS  54          HE2       LYS  54   8.887   8.375   2.605
  381   2HE   LYS  54          HE3       LYS  54   7.172   8.760   2.844
  382   1HZ   LYS  54          HZ1       LYS  54   8.358  10.659   2.009
  383   2HZ   LYS  54          HZ2       LYS  54   7.807  10.973   3.521
  384   3HZ   LYS  54          HZ3       LYS  54   9.400  10.643   3.283
  385    H    SER  55           H        SER  55   5.836   5.699   8.431
  386    HA   SER  55           HA       SER  55   7.315   6.270  10.902
  387   1HB   SER  55          HB2       SER  55   5.206   7.407  10.251
  388   2HB   SER  55          HB3       SER  55   4.339   5.873  10.464
  389    HG   SER  55           HG       SER  55   5.297   5.904  12.657
  390    H    ASN  56           H        ASN  56   7.176   3.342   9.526
  391    HA   ASN  56           HA       ASN  56   6.960   1.925  12.161
  392   1HB   ASN  56          HB2       ASN  56   5.377   1.272   9.641
  393   2HB   ASN  56          HB3       ASN  56   5.631   0.134  10.966
  394   1HD2  ASN  56          HD2       ASN  56   3.873   3.018   9.999
  395   2HD2  ASN  56          HD2       ASN  56   2.853   3.049  11.446
  396    H    ASN  57           H        ASN  57   7.676   1.509   8.721
  397    HA   ASN  57           HA       ASN  57  10.246   0.565   8.760
  398   1HB   ASN  57          HB2       ASN  57   9.884  -1.907   8.311
  399   2HB   ASN  57          HB3       ASN  57   9.764  -1.415   9.992
  400   1HD2  ASN  57          HD2       ASN  57   7.740  -1.466  11.044
  401   2HD2  ASN  57          HD2       ASN  57   6.396  -2.404  10.360
  402    H    GLY  58           H        GLY  58  10.878   0.680   6.632
  403   1HA   GLY  58          HA2       GLY  58   8.771   0.450   4.518
  404   2HA   GLY  58          HA3       GLY  58   9.817   1.858   4.638
  405    HA   PRO  59           HA       PRO  59  12.083  -1.897   2.492
  406   1HB   PRO  59          HB2       PRO  59  11.053  -1.984  -0.056
  407   2HB   PRO  59          HB3       PRO  59  10.455  -3.004   1.284
  408   1HG   PRO  59          HG2       PRO  59   9.324  -0.375   0.304
  409   2HG   PRO  59          HG3       PRO  59   8.441  -1.902   0.603
  410   1HD   PRO  59          HD2       PRO  59   8.482   0.067   2.421
  411   2HD   PRO  59          HD3       PRO  59   8.629  -1.632   2.966
  412    H    THR  60           H        THR  60  10.715   1.110   1.262
  413    HA   THR  60           HA       THR  60  11.622   3.104   0.806
  414    HB   THR  60           HB       THR  60  14.221   1.945   1.899
  415    HG1  THR  60           HG1      THR  60  12.698   1.856   3.470
  416   1HG2  THR  60          HG2       THR  60  13.279   4.823   1.556
  417   2HG2  THR  60          HG2       THR  60  14.724   4.290   2.433
  418   3HG2  THR  60          HG2       THR  60  14.629   4.058   0.681
  419    H    LYS  61           H        LYS  61  14.193   0.846  -0.191
  420    HA   LYS  61           HA       LYS  61  14.989   2.238  -2.562
  421   1HB   LYS  61          HB2       LYS  61  16.121   0.130  -3.108
  422   2HB   LYS  61          HB3       LYS  61  16.362   0.576  -1.420
  423   1HG   LYS  61          HG2       LYS  61  14.050  -1.049  -1.359
  424   2HG   LYS  61          HG3       LYS  61  15.069  -1.814  -2.579
  425   1HD   LYS  61          HD2       LYS  61  16.907  -1.969  -0.925
  426   2HD   LYS  61          HD3       LYS  61  15.931  -1.055   0.250
  427   1HE   LYS  61          HE2       LYS  61  14.155  -2.848   0.119
  428   2HE   LYS  61          HE3       LYS  61  15.229  -3.795  -0.922
  429   1HZ   LYS  61          HZ1       LYS  61  16.813  -3.835   0.916
  430   2HZ   LYS  61          HZ2       LYS  61  15.788  -2.950   1.854
  431   3HZ   LYS  61          HZ3       LYS  61  15.368  -4.467   1.383
  432    H    CYS  62           HN       CYS  62  14.108   2.272  -4.621
  433    HA   CYS  62           HA       CYS  62  11.480   1.726  -5.123
  434   1HB   CYS  62          HB2       CYS  62  13.622   1.463  -7.228
  435   2HB   CYS  62          HB3       CYS  62  11.940   1.938  -7.462
  436    H    GLY  63           H        GLY  63  14.087  -0.503  -6.269
  437   1HA   GLY  63          HA2       GLY  63  12.507  -2.603  -7.173
  438   2HA   GLY  63          HA3       GLY  63  14.113  -2.799  -6.470
  439    H    GLY  64           H        GLY  64  12.952  -1.687  -3.791
  440   1HA   GLY  64          HA2       GLY  64  12.326  -4.239  -2.572
  441   2HA   GLY  64          HA3       GLY  64  12.258  -2.636  -1.837
  442    H    CYS  65           HN       CYS  65  10.387  -1.613  -3.993
  443    HA   CYS  65           HA       CYS  65   7.852  -2.815  -2.915
  444   1HB   CYS  65          HB2       CYS  65   8.532  -0.172  -4.168
  445   2HB   CYS  65          HB3       CYS  65   6.885  -0.810  -4.151
  446    H    HIS  66           HN       HIS  66   9.768  -3.111  -5.775
  447    HA   HIS  66           HA       HIS  66   7.420  -4.200  -7.217
  448   1HB   HIS  66          HB2       HIS  66   9.181  -2.544  -8.916
  449   2HB   HIS  66          HB3       HIS  66   7.450  -2.823  -9.033
  450    HD1  HIS  66           HND      HIS  66   9.855  -1.027  -6.675
  451    HD2  HIS  66           HD       HIS  66   6.237  -0.395  -8.694
  452    HE1  HIS  66           HE       HIS  66   9.237   1.361  -6.267
  453    H    ILE  67           H        ILE  67   8.031  -6.278  -7.603
  454    HA   ILE  67           HA       ILE  67  10.708  -7.096  -7.188
  455    HB   ILE  67           HB       ILE  67   8.690  -8.682  -8.780
  456   1HG1  ILE  67          HG1       ILE  67   7.448  -8.046  -6.885
  457   2HG1  ILE  67          HG1       ILE  67   7.960  -9.695  -6.623
  458   1HG2  ILE  67          HG2       ILE  67   9.824 -10.629  -7.674
  459   2HG2  ILE  67          HG2       ILE  67  10.881  -9.718  -8.750
  460   3HG2  ILE  67          HG2       ILE  67  11.020  -9.506  -6.996
  461   1HD1  ILE  67          HD1       ILE  67   9.790  -8.893  -5.104
  462   2HD1  ILE  67          HD1       ILE  67   9.216  -7.223  -5.324
  463   3HD1  ILE  67          HD1       ILE  67   8.175  -8.422  -4.548
  464    H    LYS  68           H        LYS  68  12.521  -7.303  -8.452
  465    HA   LYS  68           HA       LYS  68  12.524  -6.447 -11.174
  466   1HB   LYS  68          HB2       LYS  68  14.425  -6.014  -9.856
  467   2HB   LYS  68          HB3       LYS  68  14.548  -7.664  -9.249
  468   1HG   LYS  68          HG2       LYS  68  14.772  -7.220 -12.217
  469   2HG   LYS  68          HG3       LYS  68  16.102  -6.687 -11.199
  470   1HD   LYS  68          HD2       LYS  68  16.904  -8.736 -10.858
  471   2HD   LYS  68          HD3       LYS  68  15.349  -9.394 -10.391
  472   1HE   LYS  68          HE2       LYS  68  16.215  -9.038 -13.305
  473   2HE   LYS  68          HE3       LYS  68  16.458 -10.509 -12.349
  474   1HZ   LYS  68          HZ1       LYS  68  13.959 -10.367 -11.927
  475   2HZ   LYS  68          HZ2       LYS  68  13.850  -9.335 -13.091
  476   3HZ   LYS  68          HZ3       LYS  68  14.407 -10.847 -13.467
  477    HHA  HEC 130           HCM      HEC  30 -10.535  -0.749  -3.049
  478    HHB  HEC 130           HDM      HEC  30 -13.583  -2.631   2.102
  479    HHC  HEC 130           HAM      HEC  30  -7.968  -3.756   4.629
  480    HHD  HEC 130           HBM      HEC  30  -5.737   0.466   0.676
  481   1HMA  HEC 130          HM8       HEC  30 -15.152  -1.285   0.597
  482   2HMA  HEC 130          HM8       HEC  30 -15.323  -1.688  -1.109
  483   3HMA  HEC 130          HM8       HEC  30 -15.029  -2.981   0.059
  484   1HAA  HEC 130          HP7       HEC  30 -12.547   0.045  -3.095
  485   2HAA  HEC 130          HP7       HEC  30 -13.986   0.127  -2.093
  486   1HBA  HEC 130          HP7       HEC  30 -14.868  -1.880  -3.288
  487   2HBA  HEC 130          HP7       HEC  30 -13.425  -1.837  -4.311
  488   1HMB  HEC 130          HM1       HEC  30 -13.192  -4.376   5.395
  489   2HMB  HEC 130          HM1       HEC  30 -13.848  -2.939   4.617
  490   3HMB  HEC 130          HM1       HEC  30 -13.760  -4.482   3.729
  491    HAB  HEC 130           HT2      HEC  30  -9.356  -4.453   6.034
  492   1HBB  HEC 130          HT2       HEC  30 -11.755  -6.170   5.276
  493   2HBB  HEC 130          HT2       HEC  30 -10.068  -6.475   4.828
  494   3HBB  HEC 130          HT2       HEC  30 -10.577  -6.560   6.529
  495   1HMC  HEC 130          HM3       HEC  30  -6.001  -3.028   5.504
  496   2HMC  HEC 130          HM3       HEC  30  -5.115  -3.942   4.245
  497   3HMC  HEC 130          HM3       HEC  30  -4.505  -2.394   4.853
  498    HAC  HEC 130           HT4      HEC  30  -4.401   0.436   2.222
  499   1HBC  HEC 130          HT4       HEC  30  -3.133  -1.357   1.518
  500   2HBC  HEC 130          HT4       HEC  30  -2.316  -0.619   2.914
  501   3HBC  HEC 130          HT4       HEC  30  -3.160  -2.167   3.102
  502   1HMD  HEC 130          HM5       HEC  30  -5.575   1.913  -1.789
  503   2HMD  HEC 130          HM5       HEC  30  -4.913   0.319  -1.330
  504   3HMD  HEC 130          HM5       HEC  30  -5.511   0.573  -2.962
  505   1HAD  HEC 130          HP6       HEC  30  -7.321   0.938  -4.204
  506   2HAD  HEC 130          HP6       HEC  30  -9.036   0.643  -4.232
  507   1HBD  HEC 130          HP6       HEC  30  -8.467  -1.877  -4.017
  508   2HBD  HEC 130          HP6       HEC  30  -6.795  -1.405  -4.309
  509    HHA  HEC 153           HCM      HEC  53   4.777  -5.613   5.807
  510    HHB  HEC 153           HDM      HEC  53   3.738  -3.515   0.023
  511    HHC  HEC 153           HAM      HEC  53  -0.347   0.573   2.286
  512    HHD  HEC 153           HBM      HEC  53   1.626  -0.718   8.049
  513   1HMA  HEC 153          HM8       HEC  53   4.441  -5.832  -0.061
  514   2HMA  HEC 153          HM8       HEC  53   5.947  -4.888   0.082
  515   3HMA  HEC 153          HM8       HEC  53   5.840  -6.510   0.775
  516   1HAA  HEC 153          HP7       HEC  53   6.082  -7.318   2.886
  517   2HAA  HEC 153          HP7       HEC  53   6.094  -6.762   4.540
  518   1HBA  HEC 153          HP7       HEC  53   7.602  -4.887   3.902
  519   2HBA  HEC 153          HP7       HEC  53   7.646  -5.509   2.251
  520   1HMB  HEC 153          HM1       HEC  53   1.607  -2.482  -1.949
  521   2HMB  HEC 153          HM1       HEC  53   2.280  -0.831  -2.013
  522   3HMB  HEC 153          HM1       HEC  53   3.313  -2.159  -1.586
  523    HAB  HEC 153           HT2      HEC  53  -1.079  -0.380   0.048
  524   1HBB  HEC 153          HT2       HEC  53  -1.132   0.361  -2.170
  525   2HBB  HEC 153          HT2       HEC  53   0.614   0.486  -2.288
  526   3HBB  HEC 153          HT2       HEC  53  -0.181  -1.116  -2.132
  527   1HMC  HEC 153          HM3       HEC  53  -0.750   2.869   4.808
  528   2HMC  HEC 153          HM3       HEC  53  -1.406   1.936   3.466
  529   3HMC  HEC 153          HM3       HEC  53  -2.128   1.773   5.035
  530    HAC  HEC 153           HT4      HEC  53  -0.317   0.356   8.228
  531   1HBC  HEC 153          HT4       HEC  53  -2.326   1.328   7.217
  532   2HBC  HEC 153          HT4       HEC  53  -1.701   2.227   8.600
  533   3HBC  HEC 153          HT4       HEC  53  -1.468   2.864   6.983
  534   1HMD  HEC 153          HM5       HEC  53   1.801  -2.242   9.727
  535   2HMD  HEC 153          HM5       HEC  53   2.960  -3.463  10.203
  536   3HMD  HEC 153          HM5       HEC  53   3.519  -1.809   9.872
  537   1HAD  HEC 153          HP6       HEC  53   4.486  -4.800   9.454
  538   2HAD  HEC 153          HP6       HEC  53   5.323  -5.395   8.044
  539   1HBD  HEC 153          HP6       HEC  53   3.696  -6.994   7.554
  540   2HBD  HEC 153          HP6       HEC  53   2.400  -6.053   8.289
  541    HHA  HEC 166           HCM      HEC  66   3.682   2.109 -10.351
  542    HHB  HEC 166           HDM      HEC  66   9.679   3.591 -10.526
  543    HHC  HEC 166           HAM      HEC  66   9.650   4.123  -4.330
  544    HHD  HEC 166           HBM      HEC  66   4.286   0.970  -4.255
  545   1HMA  HEC 166          HM8       HEC  66   9.131   2.606 -12.574
  546   2HMA  HEC 166          HM8       HEC  66   7.674   2.691 -13.556
  547   3HMA  HEC 166          HM8       HEC  66   8.333   4.176 -12.843
  548   1HAA  HEC 166          HP7       HEC  66   5.466   3.181 -13.360
  549   2HAA  HEC 166          HP7       HEC  66   4.063   2.669 -12.408
  550   1HBA  HEC 166          HP7       HEC  66   4.699   0.383 -12.580
  551   2HBA  HEC 166          HP7       HEC  66   6.223   0.787 -13.374
  552   1HMB  HEC 166          HM1       HEC  66  12.140   3.820  -9.545
  553   2HMB  HEC 166          HM1       HEC  66  11.216   5.290  -9.943
  554   3HMB  HEC 166          HM1       HEC  66  12.395   5.318  -8.636
  555    HAB  HEC 166           HT2      HEC  66  11.675   4.126  -4.928
  556   1HBB  HEC 166          HT2       HEC  66  12.382   6.518  -6.666
  557   2HBB  HEC 166          HT2       HEC  66  11.300   6.559  -5.262
  558   3HBB  HEC 166          HT2       HEC  66  13.016   6.145  -5.056
  559   1HMC  HEC 166          HM3       HEC  66   8.367   2.435  -1.291
  560   2HMC  HEC 166          HM3       HEC  66   9.655   2.337  -2.487
  561   3HMC  HEC 166          HM3       HEC  66   8.933   3.917  -2.106
  562    HAC  HEC 166           HT4      HEC  66   5.403   0.237  -2.612
  563   1HBC  HEC 166          HT4       HEC  66   6.419   2.084  -0.435
  564   2HBC  HEC 166          HT4       HEC  66   4.809   2.140  -1.174
  565   3HBC  HEC 166          HT4       HEC  66   5.335   0.701  -0.282
  566   1HMD  HEC 166          HM5       HEC  66   1.386  -0.169  -6.201
  567   2HMD  HEC 166          HM5       HEC  66   2.412   0.029  -4.801
  568   3HMD  HEC 166          HM5       HEC  66   1.286   1.315  -5.284
  569   1HAD  HEC 166          HP6       HEC  66   0.795   2.030  -8.382
  570   2HAD  HEC 166          HP6       HEC  66   1.058   0.325  -8.226
  571   1HBD  HEC 166          HP6       HEC  66   0.521   0.427 -10.341
  572   2HBD  HEC 166          HP6       HEC  66   2.254   0.299 -10.409
  Start of MODEL   10
    1   1H    ALA   1          H1        ALA   1  -9.249  -6.903  -3.496
    2   2H    ALA   1          H2        ALA   1 -10.737  -6.837  -4.195
    3   3H    ALA   1          H3        ALA   1 -10.586  -6.334  -2.714
    4    HA   ALA   1           HA       ALA   1 -11.589  -8.426  -2.553
    5   1HB   ALA   1          HB1       ALA   1 -10.777 -10.426  -3.714
    6   2HB   ALA   1          HB2       ALA   1 -11.169  -9.123  -4.841
    7   3HB   ALA   1          HB3       ALA   1  -9.469  -9.475  -4.468
    8    H    ASP   2           H        ASP   2  -8.854 -10.425  -2.634
    9    HA   ASP   2           HA       ASP   2  -8.430 -10.058   0.291
   10   1HB   ASP   2          HB2       ASP   2  -9.457 -12.150  -0.660
   11   2HB   ASP   2          HB3       ASP   2  -7.925 -12.493  -1.476
   12    H    VAL   3           H        VAL   3  -6.370 -11.289  -2.419
   13    HA   VAL   3           HA       VAL   3  -4.265  -9.309  -1.584
   14    HB   VAL   3           HB       VAL   3  -3.838 -12.019  -2.883
   15   1HG1  VAL   3          HG1       VAL   3  -1.884  -9.831  -2.016
   16   2HG1  VAL   3          HG1       VAL   3  -1.427 -11.451  -2.574
   17   3HG1  VAL   3          HG1       VAL   3  -2.210 -10.328  -3.690
   18   1HG2  VAL   3          HG2       VAL   3  -2.616 -12.528  -0.776
   19   2HG2  VAL   3          HG2       VAL   3  -3.137 -10.973  -0.097
   20   3HG2  VAL   3          HG2       VAL   3  -4.332 -12.235  -0.470
   21    H    VAL   4           H        VAL   4  -4.398  -7.604  -2.930
   22    HA   VAL   4           HA       VAL   4  -5.167  -8.037  -5.782
   23    HB   VAL   4           HB       VAL   4  -4.737  -5.450  -4.247
   24   1HG1  VAL   4          HG1       VAL   4  -5.963  -4.474  -6.202
   25   2HG1  VAL   4          HG1       VAL   4  -4.410  -5.177  -6.672
   26   3HG1  VAL   4          HG1       VAL   4  -5.918  -6.055  -6.998
   27   1HG2  VAL   4          HG2       VAL   4  -6.699  -6.596  -3.331
   28   2HG2  VAL   4          HG2       VAL   4  -7.143  -5.161  -4.270
   29   3HG2  VAL   4          HG2       VAL   4  -7.354  -6.785  -4.978
   30    H    THR   5           H        THR   5  -3.686  -7.567  -7.465
   31    HA   THR   5           HA       THR   5  -0.869  -6.901  -6.693
   32    HB   THR   5           HB       THR   5  -1.892  -9.307  -8.170
   33    HG1  THR   5           HG1      THR   5   0.527  -8.971  -6.809
   34   1HG2  THR   5          HG2       THR   5   0.761  -7.925  -8.780
   35   2HG2  THR   5          HG2       THR   5   0.395  -9.623  -9.146
   36   3HG2  THR   5          HG2       THR   5  -0.543  -8.353  -9.922
   37    H    TYR   6           H        TYR   6  -0.129  -5.219  -7.649
   38    HA   TYR   6           HA       TYR   6  -1.432  -4.126 -10.099
   39   1HB   TYR   6          HB2       TYR   6   0.236  -2.944  -7.858
   40   2HB   TYR   6          HB3       TYR   6   0.156  -2.209  -9.419
   41    HD1  TYR   6           HD1      TYR   6  -2.361  -3.897  -7.161
   42    HD2  TYR   6           HD2      TYR   6  -1.418  -0.388  -9.471
   43    HE1  TYR   6           HE1      TYR   6  -4.384  -2.771  -6.298
   44    HE2  TYR   6           HE2      TYR   6  -3.525   0.677  -8.686
   45    HH   TYR   6           HH       TYR   6  -5.382   0.530  -7.007
   46    H    GLU   7           H        GLU   7  -0.510  -4.911 -11.860
   47    HA   GLU   7           HA       GLU   7   2.307  -5.629 -11.925
   48   1HB   GLU   7          HB2       GLU   7   0.102  -6.155 -13.925
   49   2HB   GLU   7          HB3       GLU   7   1.709  -6.914 -13.857
   50   1HG   GLU   7          HG2       GLU   7   0.978  -7.359 -11.347
   51   2HG   GLU   7          HG3       GLU   7  -0.665  -7.187 -11.955
   52    H    ASN   8           H        ASN   8   3.790  -4.261 -12.367
   53    HA   ASN   8           HA       ASN   8   3.348  -2.074 -14.348
   54   1HB   ASN   8          HB2       ASN   8   5.024  -1.415 -12.006
   55   2HB   ASN   8          HB3       ASN   8   3.683  -0.520 -12.740
   56   1HD2  ASN   8          HD2       ASN   8   4.629  -2.754 -10.156
   57   2HD2  ASN   8          HD2       ASN   8   2.976  -2.994  -9.614
   58    H    ALA   9           H        ALA   9   5.316  -1.181 -15.232
   59    HA   ALA   9           HA       ALA   9   7.128  -3.221 -16.140
   60   1HB   ALA   9          HB1       ALA   9   8.281  -1.342 -17.232
   61   2HB   ALA   9          HB2       ALA   9   6.520  -1.224 -17.439
   62   3HB   ALA   9          HB3       ALA   9   7.343  -0.187 -16.252
   63    H    ALA  10           H        ALA  10   7.201  -1.134 -13.365
   64    HA   ALA  10           HA       ALA  10  10.054  -1.361 -12.807
   65   1HB   ALA  10          HB1       ALA  10   8.655   0.540 -12.103
   66   2HB   ALA  10          HB2       ALA  10   7.730  -0.524 -11.025
   67   3HB   ALA  10          HB3       ALA  10   9.457  -0.231 -10.719
   68    H    GLY  11           H        GLY  11   7.524  -3.640 -12.500
   69   1HA   GLY  11          HA2       GLY  11   8.111  -5.869 -11.446
   70   2HA   GLY  11          HA3       GLY  11   8.723  -4.975 -10.079
   71    H    ASN  12           H        ASN  12   6.298  -6.866 -10.436
   72    HA   ASN  12           HA       ASN  12   4.119  -5.044  -9.739
   73   1HB   ASN  12          HB2       ASN  12   2.623  -6.777  -9.625
   74   2HB   ASN  12          HB3       ASN  12   3.615  -7.018 -11.068
   75   1HD2  ASN  12          HD2       ASN  12   2.519  -9.305 -10.885
   76   2HD2  ASN  12          HD2       ASN  12   3.466 -10.404  -9.906
   77    H    VAL  13           H        VAL  13   2.927  -5.325  -7.745
   78    HA   VAL  13           HA       VAL  13   4.980  -4.969  -5.627
   79    HB   VAL  13           HB       VAL  13   4.631  -2.980  -6.711
   80   1HG1  VAL  13          HG1       VAL  13   2.422  -1.885  -6.875
   81   2HG1  VAL  13          HG1       VAL  13   2.477  -3.385  -7.770
   82   3HG1  VAL  13          HG1       VAL  13   1.668  -3.360  -6.193
   83   1HG2  VAL  13          HG2       VAL  13   4.676  -2.930  -4.156
   84   2HG2  VAL  13          HG2       VAL  13   3.956  -1.518  -4.957
   85   3HG2  VAL  13          HG2       VAL  13   2.904  -2.751  -4.247
   86    H    THR  14           H        THR  14   1.901  -6.491  -5.876
   87    HA   THR  14           HA       THR  14   0.558  -7.440  -4.344
   88    HB   THR  14           HB       THR  14   3.187  -7.580  -2.887
   89    HG1  THR  14           HG1      THR  14   1.567  -9.616  -3.929
   90   1HG2  THR  14          HG2       THR  14   1.545  -7.802  -1.075
   91   2HG2  THR  14          HG2       THR  14   0.501  -8.816  -2.092
   92   3HG2  THR  14          HG2       THR  14   2.077  -9.413  -1.544
   93    H    PHE  15           H        PHE  15  -0.961  -6.075  -4.013
   94    HA   PHE  15           HA       PHE  15  -1.009  -4.229  -1.650
   95   1HB   PHE  15          HB2       PHE  15  -2.737  -4.679  -4.090
   96   2HB   PHE  15          HB3       PHE  15  -3.389  -3.913  -2.643
   97    HD1  PHE  15           HD1      PHE  15  -3.871  -1.772  -3.227
   98    HD2  PHE  15           HD2      PHE  15  -0.150  -3.498  -4.555
   99    HE1  PHE  15           HE1      PHE  15  -3.514   0.127  -4.710
  100    HE2  PHE  15           HE2      PHE  15   0.216  -1.532  -6.003
  101    HZ   PHE  15           HZ       PHE  15  -1.478   0.234  -6.142
  102    H    ASP  16           H        ASP  16  -0.953  -6.010  -0.038
  103    HA   ASP  16           HA       ASP  16  -2.976  -8.060  -0.102
  104   1HB   ASP  16          HB2       ASP  16  -1.704  -6.923   2.366
  105   2HB   ASP  16          HB3       ASP  16  -2.370  -8.549   2.097
  106    H    HIS  17           HN       HIS  17  -5.142  -7.662   0.028
  107    HA   HIS  17           HA       HIS  17  -6.184  -5.347   1.564
  108   1HB   HIS  17          HB2       HIS  17  -7.256  -7.232  -0.458
  109   2HB   HIS  17          HB3       HIS  17  -8.287  -7.093   0.971
  110    HD1  HIS  17           HND      HIS  17  -6.415  -4.785  -1.456
  111    HD2  HIS  17           HD       HIS  17  -9.374  -4.817   1.484
  112    HE1  HIS  17           HE       HIS  17  -6.925  -2.378  -0.961
  113    H    LYS  18           H        LYS  18  -5.892  -8.846   1.720
  114    HA   LYS  18           HA       LYS  18  -7.042  -9.017   4.353
  115   1HB   LYS  18          HB2       LYS  18  -7.167 -10.656   2.403
  116   2HB   LYS  18          HB3       LYS  18  -5.535 -11.168   2.805
  117   1HG   LYS  18          HG2       LYS  18  -7.111 -12.666   3.772
  118   2HG   LYS  18          HG3       LYS  18  -6.374 -11.789   5.118
  119   1HD   LYS  18          HD2       LYS  18  -8.288 -10.595   5.623
  120   2HD   LYS  18          HD3       LYS  18  -8.892 -10.575   3.960
  121   1HE   LYS  18          HE2       LYS  18  -8.772 -13.103   5.650
  122   2HE   LYS  18          HE3       LYS  18 -10.176 -12.029   5.650
  123   1HZ   LYS  18          HZ1       LYS  18  -9.097 -13.151   3.122
  124   2HZ   LYS  18          HZ2       LYS  18 -10.301 -13.887   3.982
  125   3HZ   LYS  18          HZ3       LYS  18 -10.478 -12.384   3.329
  126    H    ALA  19           H        ALA  19  -3.744 -10.017   3.212
  127    HA   ALA  19           HA       ALA  19  -2.867 -10.688   5.775
  128   1HB   ALA  19          HB1       ALA  19  -0.649 -10.843   4.844
  129   2HB   ALA  19          HB2       ALA  19  -1.804 -11.384   3.608
  130   3HB   ALA  19          HB3       ALA  19  -1.063  -9.769   3.505
  131    H    HIS  20           HN       HIS  20  -2.365  -7.544   4.117
  132    HA   HIS  20           HA       HIS  20  -0.948  -6.331   6.291
  133   1HB   HIS  20          HB2       HIS  20  -2.544  -5.256   3.974
  134   2HB   HIS  20          HB3       HIS  20  -2.183  -4.214   5.334
  135    HD1  HIS  20           HND      HIS  20   0.109  -6.435   2.998
  136    HD2  HIS  20           HD       HIS  20  -0.169  -2.683   4.935
  137    HE1  HIS  20           HE       HIS  20   2.078  -5.159   2.320
  138    H    ALA  21           H        ALA  21  -4.506  -6.492   5.584
  139    HA   ALA  21           HA       ALA  21  -5.380  -4.992   7.832
  140   1HB   ALA  21          HB1       ALA  21  -6.850  -7.256   6.438
  141   2HB   ALA  21          HB2       ALA  21  -7.531  -5.999   7.481
  142   3HB   ALA  21          HB3       ALA  21  -6.803  -5.554   5.927
  143    H    GLU  22           H        GLU  22  -4.731  -8.528   7.552
  144    HA   GLU  22           HA       GLU  22  -5.646  -9.344  10.051
  145   1HB   GLU  22          HB2       GLU  22  -3.072 -10.218   8.671
  146   2HB   GLU  22          HB3       GLU  22  -3.905 -11.080   9.961
  147   1HG   GLU  22          HG2       GLU  22  -4.968 -10.660   7.149
  148   2HG   GLU  22          HG3       GLU  22  -4.382 -12.154   7.859
  149    H    LYS  23           H        LYS  23  -2.780  -7.334   9.373
  150    HA   LYS  23           HA       LYS  23  -2.125  -7.160  12.262
  151   1HB   LYS  23          HB2       LYS  23  -0.687  -6.165   9.769
  152   2HB   LYS  23          HB3       LYS  23  -0.149  -6.033  11.442
  153   1HG   LYS  23          HG2       LYS  23  -0.264  -8.591  11.574
  154   2HG   LYS  23          HG3       LYS  23  -0.606  -8.588   9.844
  155   1HD   LYS  23          HD2       LYS  23   1.698  -9.062  10.079
  156   2HD   LYS  23          HD3       LYS  23   1.582  -7.421   9.425
  157   1HE   LYS  23          HE2       LYS  23   2.107  -6.450  11.614
  158   2HE   LYS  23          HE3       LYS  23   1.935  -8.024  12.406
  159   1HZ   LYS  23          HZ1       LYS  23   4.252  -7.470  12.072
  160   2HZ   LYS  23          HZ2       LYS  23   3.896  -8.764  11.127
  161   3HZ   LYS  23          HZ3       LYS  23   4.099  -7.263  10.507
  162    H    LEU  24           H        LEU  24  -3.425  -5.285   9.565
  163    HA   LEU  24           HA       LEU  24  -3.365  -2.750  11.134
  164   1HB   LEU  24          HB2       LEU  24  -3.590  -3.266   8.151
  165   2HB   LEU  24          HB3       LEU  24  -3.417  -1.700   8.933
  166    HG   LEU  24           HG       LEU  24  -1.298  -3.867   8.872
  167   1HD1  LEU  24          HD1       LEU  24  -1.757  -2.560   6.769
  168   2HD1  LEU  24          HD1       LEU  24  -1.414  -1.072   7.661
  169   3HD1  LEU  24          HD1       LEU  24  -0.137  -2.292   7.440
  170   1HD2  LEU  24          HD2       LEU  24  -1.081  -2.691  11.000
  171   2HD2  LEU  24          HD2       LEU  24   0.142  -2.061   9.891
  172   3HD2  LEU  24          HD2       LEU  24  -1.328  -1.118  10.204
  173    H    GLY  25           H        GLY  25  -5.779  -4.943  10.762
  174   1HA   GLY  25          HA2       GLY  25  -7.895  -4.597  11.589
  175   2HA   GLY  25          HA3       GLY  25  -7.608  -2.864  11.633
  176    H    CYS  26           HN       CYS  26  -7.162  -2.479   8.944
  177    HA   CYS  26           HA       CYS  26  -8.360  -2.287   6.793
  178   1HB   CYS  26          HB2       CYS  26 -10.777  -2.051   8.586
  179   2HB   CYS  26          HB3       CYS  26 -10.704  -1.706   6.851
  180    H    ASP  27           H        ASP  27  -9.162  -0.866   9.932
  181    HA   ASP  27           HA       ASP  27  -9.889   1.677   9.391
  182   1HB   ASP  27          HB2       ASP  27  -8.061   0.829  11.687
  183   2HB   ASP  27          HB3       ASP  27  -9.279   2.112  11.694
  184    H    ALA  28           H        ALA  28  -6.615   0.505   9.873
  185    HA   ALA  28           HA       ALA  28  -4.956   2.682   9.731
  186   1HB   ALA  28          HB1       ALA  28  -4.333   0.316  10.069
  187   2HB   ALA  28          HB2       ALA  28  -4.672   0.001   8.346
  188   3HB   ALA  28          HB3       ALA  28  -3.317   1.066   8.817
  189    H    CYS  29           HN       CYS  29  -6.778   1.354   6.984
  190    HA   CYS  29           HA       CYS  29  -5.437   3.273   5.080
  191   1HB   CYS  29          HB2       CYS  29  -6.082   0.407   5.021
  192   2HB   CYS  29          HB3       CYS  29  -6.753   1.283   3.654
  193    H    HIS  30           HN       HIS  30  -8.189   2.924   6.907
  194    HA   HIS  30           HA       HIS  30 -10.015   4.146   4.923
  195   1HB   HIS  30          HB2       HIS  30 -10.270   1.363   6.144
  196   2HB   HIS  30          HB3       HIS  30 -11.578   2.255   5.384
  197    HD1  HIS  30           HND      HIS  30 -10.287   3.130   2.701
  198    HD2  HIS  30           HD       HIS  30  -9.548  -0.535   4.538
  199    HE1  HIS  30           HE       HIS  30  -9.848   1.430   0.800
  200    H    GLU  31           H        GLU  31  -9.964   5.884   6.315
  201    HA   GLU  31           HA       GLU  31 -10.605   5.570   9.038
  202   1HB   GLU  31          HB2       GLU  31 -10.325   7.989   9.101
  203   2HB   GLU  31          HB3       GLU  31  -9.062   7.137   8.189
  204   1HG   GLU  31          HG2       GLU  31 -10.238   7.829   6.032
  205   2HG   GLU  31          HG3       GLU  31 -11.327   8.812   7.016
  206    H    GLY  32           H        GLY  32 -12.613   4.325   8.348
  207   1HA   GLY  32          HA2       GLY  32 -14.933   4.249   8.865
  208   2HA   GLY  32          HA3       GLY  32 -15.069   6.003   8.693
  209    H    THR  33           H        THR  33 -16.427   3.544   7.378
  210    HA   THR  33           HA       THR  33 -17.276   2.902   5.382
  211    HB   THR  33           HB       THR  33 -16.934   5.820   4.680
  212    HG1  THR  33           HG1      THR  33 -19.317   5.327   5.387
  213   1HG2  THR  33          HG2       THR  33 -17.571   4.441   2.687
  214   2HG2  THR  33          HG2       THR  33 -18.845   3.659   3.644
  215   3HG2  THR  33          HG2       THR  33 -18.938   5.392   3.267
  216    HA   PRO  34           HA       PRO  34 -13.126   2.409   3.380
  217   1HB   PRO  34          HB2       PRO  34 -13.284  -0.230   2.793
  218   2HB   PRO  34          HB3       PRO  34 -12.865   0.343   4.431
  219   1HG   PRO  34          HG2       PRO  34 -15.628  -0.455   3.427
  220   2HG   PRO  34          HG3       PRO  34 -14.793  -1.053   4.897
  221   1HD   PRO  34          HD2       PRO  34 -16.566   0.917   5.036
  222   2HD   PRO  34          HD3       PRO  34 -15.040   1.059   5.961
  223    H    ALA  35           H        ALA  35 -12.716   2.630   1.229
  224    HA   ALA  35           HA       ALA  35 -14.550   1.781  -0.872
  225   1HB   ALA  35          HB1       ALA  35 -14.142   4.742  -0.223
  226   2HB   ALA  35          HB2       ALA  35 -15.009   4.102  -1.636
  227   3HB   ALA  35          HB3       ALA  35 -15.656   3.842  -0.008
  228    H    LYS  36           H        LYS  36 -13.629   2.943  -3.031
  229    HA   LYS  36           HA       LYS  36 -10.875   2.130  -3.095
  230   1HB   LYS  36          HB2       LYS  36 -10.858   2.533  -5.382
  231   2HB   LYS  36          HB3       LYS  36 -12.369   1.730  -4.977
  232   1HG   LYS  36          HG2       LYS  36 -13.631   3.787  -5.212
  233   2HG   LYS  36          HG3       LYS  36 -12.172   4.759  -5.432
  234   1HD   LYS  36          HD2       LYS  36 -12.893   2.453  -7.283
  235   2HD   LYS  36          HD3       LYS  36 -13.468   4.108  -7.553
  236   1HE   LYS  36          HE2       LYS  36 -11.189   4.970  -7.715
  237   2HE   LYS  36          HE3       LYS  36 -10.488   3.404  -7.301
  238   1HZ   LYS  36          HZ1       LYS  36 -12.065   3.941  -9.724
  239   2HZ   LYS  36          HZ2       LYS  36 -10.429   3.766  -9.641
  240   3HZ   LYS  36          HZ3       LYS  36 -11.406   2.491  -9.301
  241    H    ILE  37           H        ILE  37  -9.040   3.317  -3.437
  242    HA   ILE  37           HA       ILE  37  -9.146   6.130  -2.502
  243    HB   ILE  37           HB       ILE  37  -6.789   4.267  -2.109
  244   1HG1  ILE  37          HG1       ILE  37  -9.138   4.671  -0.217
  245   2HG1  ILE  37          HG1       ILE  37  -8.626   3.159  -0.972
  246   1HG2  ILE  37          HG2       ILE  37  -6.333   6.697  -1.847
  247   2HG2  ILE  37          HG2       ILE  37  -7.615   6.794  -0.622
  248   3HG2  ILE  37          HG2       ILE  37  -6.142   5.845  -0.334
  249   1HD1  ILE  37          HD1       ILE  37  -6.399   3.414   0.303
  250   2HD1  ILE  37          HD1       ILE  37  -7.228   4.655   1.262
  251   3HD1  ILE  37          HD1       ILE  37  -7.828   2.998   1.246
  252    H    ALA  38           H        ALA  38  -8.244   4.196  -5.028
  253    HA   ALA  38           HA       ALA  38  -7.275   4.411  -6.981
  254   1HB   ALA  38          HB1       ALA  38  -8.796   6.215  -7.197
  255   2HB   ALA  38          HB2       ALA  38  -7.541   7.380  -6.665
  256   3HB   ALA  38          HB3       ALA  38  -7.284   6.397  -8.145
  257    H    ILE  39           H        ILE  39  -5.514   3.470  -6.600
  258    HA   ILE  39           HA       ILE  39  -3.074   4.976  -5.763
  259    HB   ILE  39           HB       ILE  39  -3.594   2.016  -5.887
  260   1HG1  ILE  39          HG1       ILE  39  -5.051   3.068  -4.206
  261   2HG1  ILE  39          HG1       ILE  39  -3.784   2.093  -3.483
  262   1HG2  ILE  39          HG2       ILE  39  -1.341   3.667  -4.713
  263   2HG2  ILE  39          HG2       ILE  39  -1.547   1.954  -4.382
  264   3HG2  ILE  39          HG2       ILE  39  -1.205   2.478  -6.041
  265   1HD1  ILE  39          HD1       ILE  39  -2.514   4.130  -2.876
  266   2HD1  ILE  39          HD1       ILE  39  -3.768   5.141  -3.638
  267   3HD1  ILE  39          HD1       ILE  39  -4.149   4.168  -2.217
  268    H    ASP  40           H        ASP  40  -1.602   5.556  -7.178
  269    HA   ASP  40           HA       ASP  40  -0.676   3.776  -9.297
  270   1HB   ASP  40          HB2       ASP  40  -1.005   5.497 -11.029
  271   2HB   ASP  40          HB3       ASP  40  -2.543   5.021 -10.334
  272    H    LYS  41           H        LYS  41   1.202   4.907 -10.383
  273    HA   LYS  41           HA       LYS  41   3.233   6.003  -8.984
  274   1HB   LYS  41          HB2       LYS  41   4.037   6.903 -11.140
  275   2HB   LYS  41          HB3       LYS  41   3.386   5.271 -11.244
  276   1HG   LYS  41          HG2       LYS  41   1.130   6.483 -11.985
  277   2HG   LYS  41          HG3       LYS  41   2.181   7.866 -12.223
  278   1HD   LYS  41          HD2       LYS  41   2.362   7.044 -14.318
  279   2HD   LYS  41          HD3       LYS  41   3.607   6.000 -13.642
  280   1HE   LYS  41          HE2       LYS  41   0.635   5.234 -13.856
  281   2HE   LYS  41          HE3       LYS  41   1.810   4.899 -15.134
  282   1HZ   LYS  41          HZ1       LYS  41   1.408   3.026 -13.393
  283   2HZ   LYS  41          HZ2       LYS  41   2.942   3.388 -13.807
  284   3HZ   LYS  41          HZ3       LYS  41   2.222   3.907 -12.392
  285    H    LYS  42           H        LYS  42   0.271   7.808  -9.179
  286    HA   LYS  42           HA       LYS  42   1.651  10.390  -8.638
  287   1HB   LYS  42          HB2       LYS  42  -0.221  10.239 -10.331
  288   2HB   LYS  42          HB3       LYS  42  -1.301   9.798  -9.012
  289   1HG   LYS  42          HG2       LYS  42  -0.588  11.989  -7.865
  290   2HG   LYS  42          HG3       LYS  42   0.125  12.424  -9.437
  291   1HD   LYS  42          HD2       LYS  42  -2.119  11.873 -10.504
  292   2HD   LYS  42          HD3       LYS  42  -2.768  11.590  -8.880
  293   1HE   LYS  42          HE2       LYS  42  -2.158  13.975  -8.279
  294   2HE   LYS  42          HE3       LYS  42  -1.660  14.229  -9.962
  295   1HZ   LYS  42          HZ1       LYS  42  -3.925  13.665 -10.627
  296   2HZ   LYS  42          HZ2       LYS  42  -4.372  13.472  -9.059
  297   3HZ   LYS  42          HZ3       LYS  42  -3.925  14.957  -9.608
  298    H    SER  43           H        SER  43  -0.996   8.313  -7.331
  299    HA   SER  43           HA       SER  43  -0.944   9.560  -4.679
  300   1HB   SER  43          HB2       SER  43  -2.186   6.983  -5.694
  301   2HB   SER  43          HB3       SER  43  -2.515   7.703  -4.107
  302    HG   SER  43           HG       SER  43  -4.023   8.133  -5.896
  303    H    ALA  44           H        ALA  44   0.058   6.347  -5.863
  304    HA   ALA  44           HA       ALA  44   0.687   5.138  -3.390
  305   1HB   ALA  44          HB1       ALA  44   1.483   3.378  -4.688
  306   2HB   ALA  44          HB2       ALA  44   0.373   4.146  -5.841
  307   3HB   ALA  44          HB3       ALA  44   2.098   4.423  -5.980
  308    H    HIS  45           HN       HIS  45   2.541   7.172  -5.510
  309    HA   HIS  45           HA       HIS  45   5.095   6.595  -4.112
  310   1HB   HIS  45          HB2       HIS  45   4.235   7.386  -6.851
  311   2HB   HIS  45          HB3       HIS  45   5.627   8.277  -6.259
  312    HD1  HIS  45           HND      HIS  45   7.595   7.212  -7.376
  313    HD2  HIS  45           HD       HIS  45   4.811   4.430  -5.881
  314    HE1  HIS  45           HE       HIS  45   8.565   4.918  -7.811
  315    H    LYS  46           H        LYS  46   2.626   8.885  -3.829
  316    HA   LYS  46           HA       LYS  46   4.497  11.099  -3.117
  317   1HB   LYS  46          HB2       LYS  46   2.467  11.495  -4.482
  318   2HB   LYS  46          HB3       LYS  46   1.444  11.031  -3.132
  319   1HG   LYS  46          HG2       LYS  46   2.524  12.889  -1.774
  320   2HG   LYS  46          HG3       LYS  46   3.449  13.333  -3.226
  321   1HD   LYS  46          HD2       LYS  46   1.244  13.602  -4.452
  322   2HD   LYS  46          HD3       LYS  46   0.413  13.316  -2.910
  323   1HE   LYS  46          HE2       LYS  46   1.676  15.282  -1.928
  324   2HE   LYS  46          HE3       LYS  46   2.391  15.578  -3.522
  325   1HZ   LYS  46          HZ1       LYS  46   0.482  16.975  -3.159
  326   2HZ   LYS  46          HZ2       LYS  46   0.151  15.920  -4.375
  327   3HZ   LYS  46          HZ3       LYS  46  -0.490  15.680  -2.879
  328    H    ASP  47           H        ASP  47   1.641   9.575  -1.722
  329    HA   ASP  47           HA       ASP  47   2.845   9.652   1.012
  330   1HB   ASP  47          HB2       ASP  47   1.641  11.794   0.472
  331   2HB   ASP  47          HB3       ASP  47   0.137  10.860   0.322
  332    H    ALA  48           H        ALA  48  -0.042   8.547  -0.878
  333    HA   ALA  48           HA       ALA  48  -1.002   6.706   1.027
  334   1HB   ALA  48          HB1       ALA  48  -2.231   7.324  -1.012
  335   2HB   ALA  48          HB2       ALA  48  -1.034   6.464  -2.008
  336   3HB   ALA  48          HB3       ALA  48  -2.058   5.562  -0.870
  337    H    CYS  49           HN       CYS  49  -0.316   4.772   1.743
  338    HA   CYS  49           HA       CYS  49   0.954   2.955   2.176
  339   1HB   CYS  49          HB2       CYS  49   1.928   3.048  -0.692
  340   2HB   CYS  49          HB3       CYS  49   2.091   1.740   0.469
  341    H    LYS  50           H        LYS  50   2.992   4.995   0.073
  342    HA   LYS  50           HA       LYS  50   5.501   4.823   1.108
  343   1HB   LYS  50          HB2       LYS  50   3.797   7.202   0.317
  344   2HB   LYS  50          HB3       LYS  50   5.482   7.394   0.754
  345   1HG   LYS  50          HG2       LYS  50   4.857   5.278  -1.273
  346   2HG   LYS  50          HG3       LYS  50   4.555   6.950  -1.750
  347   1HD   LYS  50          HD2       LYS  50   7.216   5.825  -0.769
  348   2HD   LYS  50          HD3       LYS  50   6.782   6.203  -2.440
  349   1HE   LYS  50          HE2       LYS  50   6.202   8.602  -1.073
  350   2HE   LYS  50          HE3       LYS  50   7.630   7.993  -0.229
  351   1HZ   LYS  50          HZ1       LYS  50   8.647   7.848  -2.519
  352   2HZ   LYS  50          HZ2       LYS  50   7.278   8.603  -3.083
  353   3HZ   LYS  50          HZ3       LYS  50   8.268   9.387  -2.051
  354    H    THR  51           H        THR  51   3.156   7.215   2.490
  355    HA   THR  51           HA       THR  51   5.064   7.925   4.476
  356    HB   THR  51           HB       THR  51   2.186   8.690   4.085
  357    HG1  THR  51           HG1      THR  51   3.182  10.508   3.380
  358   1HG2  THR  51          HG2       THR  51   2.631  10.523   5.707
  359   2HG2  THR  51          HG2       THR  51   2.564   8.945   6.502
  360   3HG2  THR  51          HG2       THR  51   4.138   9.720   6.199
  361    H    CYS  52           HN       CYS  52   2.583   5.441   4.631
  362    HA   CYS  52           HA       CYS  52   2.773   5.048   7.527
  363   1HB   CYS  52          HB2       CYS  52   0.930   4.123   6.272
  364   2HB   CYS  52          HB3       CYS  52   2.037   3.106   5.323
  365    H    HIS  53           HN       HIS  53   4.217   3.372   4.716
  366    HA   HIS  53           HA       HIS  53   6.125   1.799   6.044
  367   1HB   HIS  53          HB2       HIS  53   5.874   3.065   3.305
  368   2HB   HIS  53          HB3       HIS  53   7.367   2.271   3.749
  369    HD1  HIS  53           HND      HIS  53   7.139   0.224   2.212
  370    HD2  HIS  53           HD       HIS  53   3.802   0.885   4.663
  371    HE1  HIS  53           HE       HIS  53   5.587  -1.768   1.882
  372    H    LYS  54           H        LYS  54   6.585   5.157   4.895
  373    HA   LYS  54           HA       LYS  54   9.183   5.892   5.729
  374   1HB   LYS  54          HB2       LYS  54   6.704   7.458   5.840
  375   2HB   LYS  54          HB3       LYS  54   8.356   8.018   6.150
  376   1HG   LYS  54          HG2       LYS  54   9.027   7.184   3.875
  377   2HG   LYS  54          HG3       LYS  54   7.317   6.889   3.551
  378   1HD   LYS  54          HD2       LYS  54   7.142   9.330   4.717
  379   2HD   LYS  54          HD3       LYS  54   8.818   9.390   4.185
  380   1HE   LYS  54          HE2       LYS  54   8.146   9.728   1.942
  381   2HE   LYS  54          HE3       LYS  54   6.839   8.545   2.090
  382   1HZ   LYS  54          HZ1       LYS  54   5.453  10.143   3.153
  383   2HZ   LYS  54          HZ2       LYS  54   6.639  11.284   3.140
  384   3HZ   LYS  54          HZ3       LYS  54   5.958  10.759   1.736
  385    H    SER  55           H        SER  55   6.101   6.154   7.625
  386    HA   SER  55           HA       SER  55   7.353   7.254   9.910
  387   1HB   SER  55          HB2       SER  55   5.262   7.040  11.022
  388   2HB   SER  55          HB3       SER  55   4.929   7.439   9.330
  389    HG   SER  55           HG       SER  55   4.641   5.070   9.063
  390    H    ASN  56           H        ASN  56   6.355   3.855   9.294
  391    HA   ASN  56           HA       ASN  56   8.657   2.764  10.109
  392   1HB   ASN  56          HB2       ASN  56   7.205   3.457  12.528
  393   2HB   ASN  56          HB3       ASN  56   7.060   1.726  12.344
  394   1HD2  ASN  56          HD2       ASN  56   9.429   4.354  12.112
  395   2HD2  ASN  56          HD2       ASN  56  10.815   3.377  12.620
  396    H    ASN  57           H        ASN  57   8.454   0.384  10.598
  397    HA   ASN  57           HA       ASN  57   7.861  -1.700   9.814
  398   1HB   ASN  57          HB2       ASN  57   5.089  -0.708  10.575
  399   2HB   ASN  57          HB3       ASN  57   5.662  -2.384  10.566
  400   1HD2  ASN  57          HD2       ASN  57   7.856  -2.619  11.949
  401   2HD2  ASN  57          HD2       ASN  57   7.837  -1.724  13.474
  402    H    GLY  58           H        GLY  58   8.458  -0.832   7.584
  403   1HA   GLY  58          HA2       GLY  58   6.975  -2.213   5.716
  404   2HA   GLY  58          HA3       GLY  58   6.292  -0.591   5.660
  405    HA   PRO  59           HA       PRO  59  10.880  -0.857   4.153
  406   1HB   PRO  59          HB2       PRO  59  11.152  -2.300   1.863
  407   2HB   PRO  59          HB3       PRO  59  11.121  -3.058   3.477
  408   1HG   PRO  59          HG2       PRO  59   8.752  -2.710   1.602
  409   2HG   PRO  59          HG3       PRO  59   9.325  -4.232   2.351
  410   1HD   PRO  59          HD2       PRO  59   7.345  -2.813   3.497
  411   2HD   PRO  59          HD3       PRO  59   8.637  -3.499   4.524
  412    H    THR  60           H        THR  60  11.962   0.315   2.492
  413    HA   THR  60           HA       THR  60  10.535   1.432   0.202
  414    HB   THR  60           HB       THR  60  11.287   3.209   2.546
  415    HG1  THR  60           HG1      THR  60   9.112   2.135   2.052
  416   1HG2  THR  60          HG2       THR  60  12.092   4.448   0.577
  417   2HG2  THR  60          HG2       THR  60  10.623   4.014  -0.327
  418   3HG2  THR  60          HG2       THR  60  10.531   5.101   1.070
  419    H    LYS  61           H        LYS  61  12.173   0.103  -0.724
  420    HA   LYS  61           HA       LYS  61  14.595   1.706  -1.357
  421   1HB   LYS  61          HB2       LYS  61  14.944  -0.027   0.552
  422   2HB   LYS  61          HB3       LYS  61  14.811  -1.230  -0.740
  423   1HG   LYS  61          HG2       LYS  61  16.708   0.097  -1.935
  424   2HG   LYS  61          HG3       LYS  61  16.860   1.029  -0.437
  425   1HD   LYS  61          HD2       LYS  61  17.309  -1.106   0.802
  426   2HD   LYS  61          HD3       LYS  61  17.172  -1.996  -0.730
  427   1HE   LYS  61          HE2       LYS  61  19.058  -0.600  -1.666
  428   2HE   LYS  61          HE3       LYS  61  19.227   0.185  -0.086
  429   1HZ   LYS  61          HZ1       LYS  61  19.594  -2.699  -0.626
  430   2HZ   LYS  61          HZ2       LYS  61  20.794  -1.613  -0.345
  431   3HZ   LYS  61          HZ3       LYS  61  19.733  -1.990   0.851
  432    H    CYS  62           HN       CYS  62  12.218   1.105  -2.634
  433    HA   CYS  62           HA       CYS  62  11.210   0.527  -4.612
  434   1HB   CYS  62          HB2       CYS  62  13.845  -0.305  -5.806
  435   2HB   CYS  62          HB3       CYS  62  12.380   0.254  -6.608
  436    H    GLY  63           H        GLY  63  13.832  -1.861  -4.295
  437   1HA   GLY  63          HA2       GLY  63  12.531  -4.131  -5.285
  438   2HA   GLY  63          HA3       GLY  63  13.854  -4.145  -4.122
  439    H    GLY  64           H        GLY  64  12.604  -2.872  -1.961
  440   1HA   GLY  64          HA2       GLY  64  11.273  -4.960  -0.590
  441   2HA   GLY  64          HA3       GLY  64  11.294  -3.257  -0.126
  442    H    CYS  65           HN       CYS  65   9.920  -2.686  -2.888
  443    HA   CYS  65           HA       CYS  65   7.136  -3.571  -2.164
  444   1HB   CYS  65          HB2       CYS  65   8.123  -1.071  -3.528
  445   2HB   CYS  65          HB3       CYS  65   6.461  -1.660  -3.615
  446    H    HIS  66           HN       HIS  66   9.205  -2.721  -4.984
  447    HA   HIS  66           HA       HIS  66   7.467  -4.319  -6.757
  448   1HB   HIS  66          HB2       HIS  66   9.966  -2.674  -7.291
  449   2HB   HIS  66          HB3       HIS  66   8.938  -3.397  -8.491
  450    HD1  HIS  66           HND      HIS  66   6.547  -2.431  -8.854
  451    HD2  HIS  66           HD       HIS  66   9.104  -0.285  -6.331
  452    HE1  HIS  66           HE       HIS  66   5.617  -0.031  -8.730
  453    H    ILE  67           H        ILE  67   7.862  -6.479  -7.160
  454    HA   ILE  67           HA       ILE  67  10.041  -7.947  -6.207
  455    HB   ILE  67           HB       ILE  67   8.535  -8.481  -8.795
  456   1HG1  ILE  67          HG1       ILE  67   6.903  -8.295  -7.060
  457   2HG1  ILE  67          HG1       ILE  67   7.114  -9.986  -7.454
  458   1HG2  ILE  67          HG2       ILE  67  10.208 -10.310  -7.024
  459   2HG2  ILE  67          HG2       ILE  67   9.109 -10.881  -8.296
  460   3HG2  ILE  67          HG2       ILE  67  10.499  -9.884  -8.720
  461   1HD1  ILE  67          HD1       ILE  67   8.220  -8.550  -4.993
  462   2HD1  ILE  67          HD1       ILE  67   6.901  -9.723  -5.050
  463   3HD1  ILE  67          HD1       ILE  67   8.555 -10.251  -5.399
  464    H    LYS  68           H        LYS  68  12.188  -8.174  -6.640
  465    HA   LYS  68           HA       LYS  68  13.406  -7.696  -9.195
  466   1HB   LYS  68          HB2       LYS  68  13.105  -5.396  -8.499
  467   2HB   LYS  68          HB3       LYS  68  13.639  -5.753  -6.850
  468   1HG   LYS  68          HG2       LYS  68  15.871  -6.213  -7.526
  469   2HG   LYS  68          HG3       LYS  68  15.466  -6.169  -9.242
  470   1HD   LYS  68          HD2       LYS  68  15.186  -3.780  -7.348
  471   2HD   LYS  68          HD3       LYS  68  16.659  -4.119  -8.280
  472   1HE   LYS  68          HE2       LYS  68  15.356  -4.011 -10.405
  473   2HE   LYS  68          HE3       LYS  68  13.890  -3.613  -9.500
  474   1HZ   LYS  68          HZ1       LYS  68  14.972  -1.626  -8.713
  475   2HZ   LYS  68          HZ2       LYS  68  16.339  -1.980  -9.557
  476   3HZ   LYS  68          HZ3       LYS  68  14.939  -1.652 -10.356
  477    HHA  HEC 130           HCM      HEC  30 -10.016  -0.612  -2.737
  478    HHB  HEC 130           HDM      HEC  30 -13.116  -2.605   2.355
  479    HHC  HEC 130           HAM      HEC  30  -7.486  -3.990   4.644
  480    HHD  HEC 130           HBM      HEC  30  -5.337   0.640   1.210
  481   1HMA  HEC 130          HM8       HEC  30 -14.669  -1.239   0.826
  482   2HMA  HEC 130          HM8       HEC  30 -14.830  -1.675  -0.881
  483   3HMA  HEC 130          HM8       HEC  30 -14.524  -2.940   0.315
  484   1HAA  HEC 130          HP7       HEC  30 -12.065  -0.933  -3.373
  485   2HAA  HEC 130          HP7       HEC  30 -13.676  -1.062  -2.702
  486   1HBA  HEC 130          HP7       HEC  30 -13.177  -2.904  -4.241
  487   2HBA  HEC 130          HP7       HEC  30 -13.496  -3.494  -2.609
  488   1HMB  HEC 130          HM1       HEC  30 -12.608  -4.847   5.338
  489   2HMB  HEC 130          HM1       HEC  30 -13.260  -3.224   5.086
  490   3HMB  HEC 130          HM1       HEC  30 -13.318  -4.440   3.783
  491    HAB  HEC 130           HT2      HEC  30  -8.818  -4.366   6.290
  492   1HBB  HEC 130          HT2       HEC  30 -10.919  -6.413   5.473
  493   2HBB  HEC 130          HT2       HEC  30  -9.189  -6.487   5.080
  494   3HBB  HEC 130          HT2       HEC  30  -9.729  -6.583   6.770
  495   1HMC  HEC 130          HM3       HEC  30  -3.855  -3.062   4.357
  496   2HMC  HEC 130          HM3       HEC  30  -5.054  -2.791   5.648
  497   3HMC  HEC 130          HM3       HEC  30  -5.170  -4.211   4.557
  498    HAC  HEC 130           HT4      HEC  30  -3.691  -0.761   4.286
  499   1HBC  HEC 130          HT4       HEC  30  -2.773  -1.715   2.169
  500   2HBC  HEC 130          HT4       HEC  30  -3.202  -0.205   1.337
  501   3HBC  HEC 130          HT4       HEC  30  -2.038  -0.187   2.670
  502   1HMD  HEC 130          HM5       HEC  30  -5.537   2.255  -2.043
  503   2HMD  HEC 130          HM5       HEC  30  -4.870   1.842  -0.477
  504   3HMD  HEC 130          HM5       HEC  30  -4.714   0.696  -1.819
  505   1HAD  HEC 130          HP6       HEC  30  -7.476   2.199  -3.089
  506   2HAD  HEC 130          HP6       HEC  30  -8.935   1.280  -3.465
  507   1HBD  HEC 130          HP6       HEC  30  -7.719  -0.230  -4.837
  508   2HBD  HEC 130          HP6       HEC  30  -6.162   0.381  -4.267
  509    HHA  HEC 153           HCM      HEC  53   5.361  -5.448   4.873
  510    HHB  HEC 153           HDM      HEC  53   3.611  -3.418  -0.741
  511    HHC  HEC 153           HAM      HEC  53  -0.063   0.787   1.967
  512    HHD  HEC 153           HBM      HEC  53   2.093  -0.873   7.560
  513   1HMA  HEC 153          HM8       HEC  53   4.396  -5.526  -0.982
  514   2HMA  HEC 153          HM8       HEC  53   6.111  -5.095  -0.753
  515   3HMA  HEC 153          HM8       HEC  53   5.469  -6.614  -0.114
  516   1HAA  HEC 153          HP7       HEC  53   6.979  -6.110   3.376
  517   2HAA  HEC 153          HP7       HEC  53   6.975  -6.560   1.680
  518   1HBA  HEC 153          HP7       HEC  53   5.082  -8.059   2.012
  519   2HBA  HEC 153          HP7       HEC  53   4.901  -7.525   3.683
  520   1HMB  HEC 153          HM1       HEC  53   3.248  -1.828  -2.177
  521   2HMB  HEC 153          HM1       HEC  53   1.548  -2.264  -2.475
  522   3HMB  HEC 153          HM1       HEC  53   2.106  -0.563  -2.536
  523    HAB  HEC 153           HT2      HEC  53  -1.037  -0.162  -0.147
  524   1HBB  HEC 153          HT2       HEC  53  -1.359   0.496  -2.344
  525   2HBB  HEC 153          HT2       HEC  53   0.354   0.671  -2.677
  526   3HBB  HEC 153          HT2       HEC  53  -0.358  -0.950  -2.392
  527   1HMC  HEC 153          HM3       HEC  53  -0.413   2.964   4.584
  528   2HMC  HEC 153          HM3       HEC  53  -1.113   2.056   3.257
  529   3HMC  HEC 153          HM3       HEC  53  -1.721   1.792   4.865
  530    HAC  HEC 153           HT4      HEC  53   0.438   0.472   7.915
  531   1HBC  HEC 153          HT4       HEC  53  -1.699   1.352   7.096
  532   2HBC  HEC 153          HT4       HEC  53  -0.957   2.274   8.408
  533   3HBC  HEC 153          HT4       HEC  53  -0.917   2.916   6.778
  534   1HMD  HEC 153          HM5       HEC  53   3.256  -1.954   9.208
  535   2HMD  HEC 153          HM5       HEC  53   2.070  -3.274   9.059
  536   3HMD  HEC 153          HM5       HEC  53   3.760  -3.619   9.472
  537   1HAD  HEC 153          HP6       HEC  53   4.997  -6.122   6.936
  538   2HAD  HEC 153          HP6       HEC  53   4.022  -5.615   8.286
  539   1HBD  HEC 153          HP6       HEC  53   6.091  -3.793   8.431
  540   2HBD  HEC 153          HP6       HEC  53   6.925  -5.190   7.763
  541    HHA  HEC 166           HCM      HEC  66   3.811   2.747  -9.986
  542    HHB  HEC 166           HDM      HEC  66  10.083   2.733 -10.147
  543    HHC  HEC 166           HAM      HEC  66  10.010   2.778  -3.900
  544    HHD  HEC 166           HBM      HEC  66   4.181   0.715  -4.136
  545   1HMA  HEC 166          HM8       HEC  66   7.912   3.741 -13.062
  546   2HMA  HEC 166          HM8       HEC  66   9.073   4.366 -11.892
  547   3HMA  HEC 166          HM8       HEC  66   9.217   2.698 -12.487
  548   1HAA  HEC 166          HP7       HEC  66   5.566   3.832 -12.876
  549   2HAA  HEC 166          HP7       HEC  66   4.359   2.875 -12.030
  550   1HBA  HEC 166          HP7       HEC  66   5.684   0.816 -12.519
  551   2HBA  HEC 166          HP7       HEC  66   6.755   1.776 -13.537
  552   1HMB  HEC 166          HM1       HEC  66  12.396   2.170  -9.320
  553   2HMB  HEC 166          HM1       HEC  66  12.082   3.920  -9.244
  554   3HMB  HEC 166          HM1       HEC  66  13.198   3.167  -8.106
  555    HAB  HEC 166           HT2      HEC  66  12.016   2.960  -4.392
  556   1HBB  HEC 166          HT2       HEC  66  13.577   4.745  -4.803
  557   2HBB  HEC 166          HT2       HEC  66  13.104   4.834  -6.506
  558   3HBB  HEC 166          HT2       HEC  66  11.939   5.267  -5.242
  559   1HMC  HEC 166          HM3       HEC  66   8.195   1.553  -0.911
  560   2HMC  HEC 166          HM3       HEC  66   9.544   1.217  -1.992
  561   3HMC  HEC 166          HM3       HEC  66   9.042   2.904  -1.665
  562    HAC  HEC 166           HT4      HEC  66   5.007  -0.113  -2.391
  563   1HBC  HEC 166          HT4       HEC  66   4.809   0.574  -0.097
  564   2HBC  HEC 166          HT4       HEC  66   6.110   1.758  -0.265
  565   3HBC  HEC 166          HT4       HEC  66   4.594   1.977  -1.157
  566   1HMD  HEC 166          HM5       HEC  66   2.033   1.225  -4.490
  567   2HMD  HEC 166          HM5       HEC  66   0.950   1.106  -5.865
  568   3HMD  HEC 166          HM5       HEC  66   1.987  -0.270  -5.427
  569   1HAD  HEC 166          HP6       HEC  66   1.056   2.550  -8.438
  570   2HAD  HEC 166          HP6       HEC  66   1.007   0.874  -8.004
  571   1HBD  HEC 166          HP6       HEC  66   0.884   0.369 -10.052
  572   2HBD  HEC 166          HP6       HEC  66   2.626   0.618 -10.089
  Start of MODEL   11
    1   1H    ALA   1          H1        ALA   1  -9.608  -7.435  -3.329
    2   2H    ALA   1          H2        ALA   1 -11.262  -7.339  -3.352
    3   3H    ALA   1          H3        ALA   1 -10.436  -7.330  -1.919
    4    HA   ALA   1           HA       ALA   1 -11.367  -9.493  -2.234
    5   1HB   ALA   1          HB1       ALA   1 -10.685 -10.838  -4.200
    6   2HB   ALA   1          HB2       ALA   1 -11.560  -9.376  -4.691
    7   3HB   ALA   1          HB3       ALA   1  -9.791  -9.448  -4.848
    8    H    ASP   2           H        ASP   2 -10.237 -11.275  -1.346
    9    HA   ASP   2           HA       ASP   2  -8.682 -10.890   0.571
   10   1HB   ASP   2          HB2       ASP   2  -9.623 -13.086  -0.407
   11   2HB   ASP   2          HB3       ASP   2  -8.008 -13.357  -1.065
   12    H    VAL   3           H        VAL   3  -6.709 -12.087  -2.176
   13    HA   VAL   3           HA       VAL   3  -4.709  -9.948  -1.612
   14    HB   VAL   3           HB       VAL   3  -4.174 -12.698  -2.778
   15   1HG1  VAL   3          HG1       VAL   3  -2.304 -10.339  -2.239
   16   2HG1  VAL   3          HG1       VAL   3  -1.787 -11.969  -2.704
   17   3HG1  VAL   3          HG1       VAL   3  -2.726 -10.993  -3.839
   18   1HG2  VAL   3          HG2       VAL   3  -4.459 -12.753  -0.310
   19   2HG2  VAL   3          HG2       VAL   3  -2.761 -12.986  -0.751
   20   3HG2  VAL   3          HG2       VAL   3  -3.305 -11.412  -0.145
   21    H    VAL   4           H        VAL   4  -4.399  -8.490  -3.199
   22    HA   VAL   4           HA       VAL   4  -5.930  -8.860  -5.731
   23    HB   VAL   4           HB       VAL   4  -4.649  -6.290  -4.694
   24   1HG1  VAL   4          HG1       VAL   4  -6.734  -6.850  -6.839
   25   2HG1  VAL   4          HG1       VAL   4  -6.183  -5.250  -6.305
   26   3HG1  VAL   4          HG1       VAL   4  -5.060  -6.335  -7.127
   27   1HG2  VAL   4          HG2       VAL   4  -6.319  -6.977  -3.084
   28   2HG2  VAL   4          HG2       VAL   4  -6.942  -5.653  -4.079
   29   3HG2  VAL   4          HG2       VAL   4  -7.487  -7.320  -4.387
   30    H    THR   5           H        THR   5  -2.713  -7.671  -4.704
   31    HA   THR   5           HA       THR   5  -0.796  -7.335  -5.825
   32    HB   THR   5           HB       THR   5  -1.595 -10.005  -6.683
   33    HG1  THR   5           HG1      THR   5   0.947  -8.784  -6.510
   34   1HG2  THR   5          HG2       THR   5  -1.462  -9.174  -9.018
   35   2HG2  THR   5          HG2       THR   5   0.180  -8.551  -8.691
   36   3HG2  THR   5          HG2       THR   5  -0.148 -10.285  -8.616
   37    H    TYR   6           H        TYR   6   0.177  -6.075  -7.306
   38    HA   TYR   6           HA       TYR   6  -1.609  -5.127  -9.568
   39   1HB   TYR   6          HB2       TYR   6  -0.071  -3.468  -7.603
   40   2HB   TYR   6          HB3       TYR   6  -0.065  -3.017  -9.288
   41    HD1  TYR   6           HD1      TYR   6  -1.623  -1.154  -9.443
   42    HD2  TYR   6           HD2      TYR   6  -2.703  -4.547  -7.024
   43    HE1  TYR   6           HE1      TYR   6  -3.448   0.160  -8.379
   44    HE2  TYR   6           HE2      TYR   6  -4.475  -3.225  -5.954
   45    HH   TYR   6           HH       TYR   6  -5.316   0.008  -6.681
   46    H    GLU   7           H        GLU   7  -0.838  -5.510 -11.471
   47    HA   GLU   7           HA       GLU   7   2.046  -6.075 -11.776
   48   1HB   GLU   7          HB2       GLU   7  -0.277  -7.068 -13.442
   49   2HB   GLU   7          HB3       GLU   7   1.423  -7.575 -13.526
   50   1HG   GLU   7          HG2       GLU   7   0.999  -7.992 -10.915
   51   2HG   GLU   7          HG3       GLU   7  -0.684  -8.126 -11.406
   52    H    ASN   8           H        ASN   8   3.298  -4.788 -12.820
   53    HA   ASN   8           HA       ASN   8   2.345  -2.868 -14.852
   54   1HB   ASN   8          HB2       ASN   8   3.110  -0.974 -13.553
   55   2HB   ASN   8          HB3       ASN   8   1.931  -1.839 -12.602
   56   1HD2  ASN   8          HD2       ASN   8   2.731  -3.193 -10.760
   57   2HD2  ASN   8          HD2       ASN   8   4.392  -2.977 -10.205
   58    H    ALA   9           H        ALA   9   4.335  -1.454 -15.467
   59    HA   ALA   9           HA       ALA   9   6.202  -3.337 -16.577
   60   1HB   ALA   9          HB1       ALA   9   6.359  -0.308 -16.448
   61   2HB   ALA   9          HB2       ALA   9   7.225  -1.374 -17.578
   62   3HB   ALA   9          HB3       ALA   9   5.451  -1.242 -17.658
   63    H    ALA  10           H        ALA  10   6.368  -1.313 -13.663
   64    HA   ALA  10           HA       ALA  10   9.322  -1.505 -13.560
   65   1HB   ALA  10          HB1       ALA  10   8.177   0.637 -13.191
   66   2HB   ALA  10          HB2       ALA  10   7.331  -0.044 -11.787
   67   3HB   ALA  10          HB3       ALA  10   9.099   0.138 -11.761
   68    H    GLY  11           H        GLY  11   7.673  -3.982 -13.090
   69   1HA   GLY  11          HA2       GLY  11   8.226  -5.840 -11.561
   70   2HA   GLY  11          HA3       GLY  11   8.710  -4.702 -10.354
   71    H    ASN  12           H        ASN  12   6.430  -6.917 -10.645
   72    HA   ASN  12           HA       ASN  12   4.041  -5.290 -10.135
   73   1HB   ASN  12          HB2       ASN  12   2.882  -7.369  -9.686
   74   2HB   ASN  12          HB3       ASN  12   3.641  -7.350 -11.267
   75   1HD2  ASN  12          HD2       ASN  12   3.068  -9.850 -10.755
   76   2HD2  ASN  12          HD2       ASN  12   4.472 -10.692 -10.112
   77    H    VAL  13           H        VAL  13   2.777  -5.826  -8.151
   78    HA   VAL  13           HA       VAL  13   4.456  -6.096  -5.699
   79    HB   VAL  13           HB       VAL  13   4.155  -3.707  -6.294
   80   1HG1  VAL  13          HG1       VAL  13   1.968  -3.908  -7.350
   81   2HG1  VAL  13          HG1       VAL  13   1.202  -4.261  -5.774
   82   3HG1  VAL  13          HG1       VAL  13   1.949  -2.685  -6.077
   83   1HG2  VAL  13          HG2       VAL  13   3.510  -2.883  -4.185
   84   2HG2  VAL  13          HG2       VAL  13   2.620  -4.347  -3.745
   85   3HG2  VAL  13          HG2       VAL  13   4.394  -4.390  -3.883
   86    H    THR  14           H        THR  14   3.118  -6.387  -3.797
   87    HA   THR  14           HA       THR  14   0.714  -8.099  -4.164
   88    HB   THR  14           HB       THR  14   3.084  -8.516  -2.337
   89    HG1  THR  14           HG1      THR  14   1.512 -10.192  -3.990
   90   1HG2  THR  14          HG2       THR  14   0.255  -9.659  -2.088
   91   2HG2  THR  14          HG2       THR  14   1.698 -10.426  -1.404
   92   3HG2  THR  14          HG2       THR  14   1.197  -8.847  -0.820
   93    H    PHE  15           H        PHE  15  -0.374  -6.222  -4.163
   94    HA   PHE  15           HA       PHE  15  -1.192  -4.996  -1.611
   95   1HB   PHE  15          HB2       PHE  15  -2.384  -5.350  -4.373
   96   2HB   PHE  15          HB3       PHE  15  -3.468  -5.070  -3.025
   97    HD1  PHE  15           HD1      PHE  15  -1.064  -3.492  -5.227
   98    HD2  PHE  15           HD2      PHE  15  -3.347  -3.091  -1.595
   99    HE1  PHE  15           HE1      PHE  15  -1.300  -1.071  -5.642
  100    HE2  PHE  15           HE2      PHE  15  -3.439  -0.640  -1.929
  101    HZ   PHE  15           HZ       PHE  15  -2.481   0.360  -3.975
  102    H    ASP  16           H        ASP  16  -1.685  -6.387   0.060
  103    HA   ASP  16           HA       ASP  16  -3.613  -8.573  -0.509
  104   1HB   ASP  16          HB2       ASP  16  -2.662  -8.005   2.237
  105   2HB   ASP  16          HB3       ASP  16  -3.139  -9.528   1.454
  106    H    HIS  17           HN       HIS  17  -5.746  -8.172  -0.162
  107    HA   HIS  17           HA       HIS  17  -6.515  -5.494   0.855
  108   1HB   HIS  17          HB2       HIS  17  -7.532  -7.107  -1.102
  109   2HB   HIS  17          HB3       HIS  17  -8.629  -7.504   0.214
  110    HD1  HIS  17           HND      HIS  17  -8.000  -5.037  -2.434
  111    HD2  HIS  17           HD       HIS  17  -9.220  -4.854   1.554
  112    HE1  HIS  17           HE       HIS  17  -8.752  -2.689  -2.065
  113    H    LYS  18           H        LYS  18  -6.796  -8.929   1.578
  114    HA   LYS  18           HA       LYS  18  -8.062  -8.433   4.191
  115   1HB   LYS  18          HB2       LYS  18  -8.897 -10.142   2.673
  116   2HB   LYS  18          HB3       LYS  18  -7.352 -11.011   2.813
  117   1HG   LYS  18          HG2       LYS  18  -7.791 -11.168   5.329
  118   2HG   LYS  18          HG3       LYS  18  -9.381 -10.434   5.046
  119   1HD   LYS  18          HD2       LYS  18  -9.806 -12.263   3.341
  120   2HD   LYS  18          HD3       LYS  18  -8.233 -12.958   3.795
  121   1HE   LYS  18          HE2       LYS  18  -9.040 -13.290   6.115
  122   2HE   LYS  18          HE3       LYS  18 -10.618 -12.627   5.663
  123   1HZ   LYS  18          HZ1       LYS  18  -9.320 -14.977   4.427
  124   2HZ   LYS  18          HZ2       LYS  18 -10.585 -15.050   5.497
  125   3HZ   LYS  18          HZ3       LYS  18 -10.767 -14.385   3.986
  126    H    ALA  19           H        ALA  19  -5.043 -10.217   3.090
  127    HA   ALA  19           HA       ALA  19  -4.288 -10.982   5.662
  128   1HB   ALA  19          HB1       ALA  19  -2.331 -10.275   3.447
  129   2HB   ALA  19          HB2       ALA  19  -2.105 -11.433   4.761
  130   3HB   ALA  19          HB3       ALA  19  -3.286 -11.780   3.481
  131    H    HIS  20           HN       HIS  20  -3.472  -7.928   4.028
  132    HA   HIS  20           HA       HIS  20  -1.957  -6.781   6.175
  133   1HB   HIS  20          HB2       HIS  20  -3.483  -5.730   3.805
  134   2HB   HIS  20          HB3       HIS  20  -3.133  -4.628   5.107
  135    HD1  HIS  20           HND      HIS  20  -0.999  -6.918   2.707
  136    HD2  HIS  20           HD       HIS  20  -0.847  -3.360   4.995
  137    HE1  HIS  20           HE       HIS  20   1.035  -5.750   2.039
  138    H    ALA  21           H        ALA  21  -5.480  -6.563   5.398
  139    HA   ALA  21           HA       ALA  21  -6.352  -5.092   7.627
  140   1HB   ALA  21          HB1       ALA  21  -7.931  -7.288   6.266
  141   2HB   ALA  21          HB2       ALA  21  -8.524  -5.887   7.153
  142   3HB   ALA  21          HB3       ALA  21  -7.693  -5.657   5.594
  143    H    GLU  22           H        GLU  22  -5.810  -8.648   7.431
  144    HA   GLU  22           HA       GLU  22  -6.977  -9.380   9.859
  145   1HB   GLU  22          HB2       GLU  22  -4.432 -10.452   8.578
  146   2HB   GLU  22          HB3       GLU  22  -5.337 -11.249   9.863
  147   1HG   GLU  22          HG2       GLU  22  -6.420 -10.693   7.085
  148   2HG   GLU  22          HG3       GLU  22  -5.844 -12.243   7.687
  149    H    LYS  23           H        LYS  23  -3.920  -7.616   9.365
  150    HA   LYS  23           HA       LYS  23  -3.503  -7.395  12.311
  151   1HB   LYS  23          HB2       LYS  23  -1.876  -6.615   9.857
  152   2HB   LYS  23          HB3       LYS  23  -1.552  -5.991  11.473
  153   1HG   LYS  23          HG2       LYS  23  -1.341  -8.319  12.332
  154   2HG   LYS  23          HG3       LYS  23  -1.553  -8.931  10.682
  155   1HD   LYS  23          HD2       LYS  23   0.513  -7.837   9.949
  156   2HD   LYS  23          HD3       LYS  23   0.662  -6.976  11.492
  157   1HE   LYS  23          HE2       LYS  23   0.932  -9.094  12.710
  158   2HE   LYS  23          HE3       LYS  23   0.744 -10.020  11.211
  159   1HZ   LYS  23          HZ1       LYS  23   2.960  -8.044  11.513
  160   2HZ   LYS  23          HZ2       LYS  23   3.107  -9.616  11.970
  161   3HZ   LYS  23          HZ3       LYS  23   2.850  -9.170  10.431
  162    H    LEU  24           H        LEU  24  -4.167  -5.401   9.425
  163    HA   LEU  24           HA       LEU  24  -4.078  -2.946  10.943
  164   1HB   LEU  24          HB2       LEU  24  -4.801  -3.476   8.037
  165   2HB   LEU  24          HB3       LEU  24  -4.442  -1.924   8.778
  166    HG   LEU  24           HG       LEU  24  -2.459  -4.171   8.344
  167   1HD1  LEU  24          HD1       LEU  24  -3.004  -2.900   6.361
  168   2HD1  LEU  24          HD1       LEU  24  -2.887  -1.376   7.203
  169   3HD1  LEU  24          HD1       LEU  24  -1.421  -2.349   6.943
  170   1HD2  LEU  24          HD2       LEU  24  -0.796  -2.504   9.232
  171   2HD2  LEU  24          HD2       LEU  24  -2.163  -1.564   9.879
  172   3HD2  LEU  24          HD2       LEU  24  -1.850  -3.214  10.457
  173    H    GLY  25           H        GLY  25  -6.810  -4.927  10.183
  174   1HA   GLY  25          HA2       GLY  25  -8.996  -4.689  10.747
  175   2HA   GLY  25          HA3       GLY  25  -8.500  -3.344  11.766
  176    H    CYS  26           HN       CYS  26  -8.300  -3.396   8.253
  177    HA   CYS  26           HA       CYS  26  -9.140  -2.132   6.573
  178   1HB   CYS  26          HB2       CYS  26 -11.610  -1.814   8.229
  179   2HB   CYS  26          HB3       CYS  26 -11.460  -1.551   6.487
  180    H    ASP  27           H        ASP  27 -10.149  -0.504   9.602
  181    HA   ASP  27           HA       ASP  27 -10.502   2.076   8.901
  182   1HB   ASP  27          HB2       ASP  27  -9.107   0.919  11.358
  183   2HB   ASP  27          HB3       ASP  27  -9.689   2.585  11.229
  184    H    ALA  28           H        ALA  28  -7.430   0.569   9.681
  185    HA   ALA  28           HA       ALA  28  -5.521   2.520   9.516
  186   1HB   ALA  28          HB1       ALA  28  -5.099   0.163   9.939
  187   2HB   ALA  28          HB2       ALA  28  -5.603  -0.227   8.272
  188   3HB   ALA  28          HB3       ALA  28  -4.084   0.673   8.568
  189    H    CYS  29           HN       CYS  29  -7.299   1.217   6.703
  190    HA   CYS  29           HA       CYS  29  -5.718   2.968   4.831
  191   1HB   CYS  29          HB2       CYS  29  -7.222   0.387   4.355
  192   2HB   CYS  29          HB3       CYS  29  -6.432   1.393   3.136
  193    H    HIS  30           HN       HIS  30  -8.615   2.954   6.494
  194    HA   HIS  30           HA       HIS  30 -10.237   4.197   4.351
  195   1HB   HIS  30          HB2       HIS  30 -10.656   1.436   5.574
  196   2HB   HIS  30          HB3       HIS  30 -11.929   2.295   4.738
  197    HD1  HIS  30           HND      HIS  30 -10.295   3.208   2.171
  198    HD2  HIS  30           HD       HIS  30 -10.218  -0.527   3.989
  199    HE1  HIS  30           HE       HIS  30 -10.007   1.489   0.265
  200    H    GLU  31           H        GLU  31 -10.617   6.006   5.552
  201    HA   GLU  31           HA       GLU  31 -11.367   5.919   8.238
  202   1HB   GLU  31          HB2       GLU  31 -11.784   8.047   6.105
  203   2HB   GLU  31          HB3       GLU  31 -12.070   8.307   7.830
  204   1HG   GLU  31          HG2       GLU  31  -9.725   7.782   8.354
  205   2HG   GLU  31          HG3       GLU  31  -9.376   7.470   6.646
  206    H    GLY  32           H        GLY  32 -12.984   4.171   8.191
  207   1HA   GLY  32          HA2       GLY  32 -15.134   3.688   8.932
  208   2HA   GLY  32          HA3       GLY  32 -15.648   5.338   8.566
  209    H    THR  33           H        THR  33 -15.434   5.694   5.975
  210    HA   THR  33           HA       THR  33 -17.233   3.677   4.718
  211    HB   THR  33           HB       THR  33 -16.487   6.469   3.801
  212    HG1  THR  33           HG1      THR  33 -18.739   5.410   5.164
  213   1HG2  THR  33          HG2       THR  33 -18.649   4.507   2.877
  214   2HG2  THR  33          HG2       THR  33 -18.498   6.197   2.365
  215   3HG2  THR  33          HG2       THR  33 -17.245   5.028   1.920
  216    HA   PRO  34           HA       PRO  34 -13.269   2.598   2.608
  217   1HB   PRO  34          HB2       PRO  34 -13.849   0.081   1.841
  218   2HB   PRO  34          HB3       PRO  34 -13.433   0.458   3.539
  219   1HG   PRO  34          HG2       PRO  34 -16.210   0.172   2.334
  220   2HG   PRO  34          HG3       PRO  34 -15.579  -0.620   3.808
  221   1HD   PRO  34          HD2       PRO  34 -17.044   1.652   3.919
  222   2HD   PRO  34          HD3       PRO  34 -15.658   1.402   5.025
  223    H    ALA  35           H        ALA  35 -12.785   2.735   0.408
  224    HA   ALA  35           HA       ALA  35 -14.754   2.357  -1.685
  225   1HB   ALA  35          HB1       ALA  35 -13.872   5.189  -0.947
  226   2HB   ALA  35          HB2       ALA  35 -14.806   4.741  -2.391
  227   3HB   ALA  35          HB3       ALA  35 -15.517   4.542  -0.782
  228    H    LYS  36           H        LYS  36 -13.787   3.052  -3.846
  229    HA   LYS  36           HA       LYS  36 -11.138   2.019  -3.879
  230   1HB   LYS  36          HB2       LYS  36 -11.248   1.934  -6.216
  231   2HB   LYS  36          HB3       LYS  36 -12.705   1.304  -5.482
  232   1HG   LYS  36          HG2       LYS  36 -13.904   2.588  -6.863
  233   2HG   LYS  36          HG3       LYS  36 -13.348   3.997  -5.944
  234   1HD   LYS  36          HD2       LYS  36 -11.218   3.914  -7.435
  235   2HD   LYS  36          HD3       LYS  36 -12.092   2.747  -8.434
  236   1HE   LYS  36          HE2       LYS  36 -13.883   4.425  -8.839
  237   2HE   LYS  36          HE3       LYS  36 -13.089   5.562  -7.733
  238   1HZ   LYS  36          HZ1       LYS  36 -11.196   5.599  -9.195
  239   2HZ   LYS  36          HZ2       LYS  36 -11.915   4.557 -10.241
  240   3HZ   LYS  36          HZ3       LYS  36 -12.547   6.062 -10.016
  241    H    ILE  37           H        ILE  37  -9.714   3.301  -2.938
  242    HA   ILE  37           HA       ILE  37  -9.217   6.089  -3.534
  243    HB   ILE  37           HB       ILE  37  -7.514   3.907  -2.272
  244   1HG1  ILE  37          HG1       ILE  37  -8.897   6.227  -0.872
  245   2HG1  ILE  37          HG1       ILE  37  -9.723   4.692  -1.136
  246   1HG2  ILE  37          HG2       ILE  37  -6.126   5.800  -1.369
  247   2HG2  ILE  37          HG2       ILE  37  -6.012   5.654  -3.115
  248   3HG2  ILE  37          HG2       ILE  37  -7.035   6.918  -2.399
  249   1HD1  ILE  37          HD1       ILE  37  -7.963   3.474   0.085
  250   2HD1  ILE  37          HD1       ILE  37  -7.153   5.014   0.452
  251   3HD1  ILE  37          HD1       ILE  37  -8.776   4.699   1.076
  252    H    ALA  38           H        ALA  38  -8.094   6.966  -5.297
  253    HA   ALA  38           HA       ALA  38  -7.197   5.203  -7.381
  254   1HB   ALA  38          HB1       ALA  38  -8.082   7.388  -7.895
  255   2HB   ALA  38          HB2       ALA  38  -6.692   8.166  -7.083
  256   3HB   ALA  38          HB3       ALA  38  -6.433   7.144  -8.523
  257    H    ILE  39           H        ILE  39  -5.587   3.925  -7.081
  258    HA   ILE  39           HA       ILE  39  -3.033   4.709  -5.785
  259    HB   ILE  39           HB       ILE  39  -4.207   2.137  -6.808
  260   1HG1  ILE  39          HG1       ILE  39  -5.110   2.958  -4.683
  261   2HG1  ILE  39          HG1       ILE  39  -4.215   1.482  -4.503
  262   1HG2  ILE  39          HG2       ILE  39  -1.787   2.037  -7.296
  263   2HG2  ILE  39          HG2       ILE  39  -1.428   2.386  -5.598
  264   3HG2  ILE  39          HG2       ILE  39  -2.288   0.914  -6.067
  265   1HD1  ILE  39          HD1       ILE  39  -2.252   2.849  -3.580
  266   2HD1  ILE  39          HD1       ILE  39  -3.277   4.292  -3.676
  267   3HD1  ILE  39          HD1       ILE  39  -3.724   2.965  -2.623
  268    H    ASP  40           H        ASP  40  -1.550   5.669  -6.907
  269    HA   ASP  40           HA       ASP  40  -0.761   4.784  -9.581
  270   1HB   ASP  40          HB2       ASP  40  -2.865   6.090  -9.939
  271   2HB   ASP  40          HB3       ASP  40  -2.175   7.439  -9.045
  272    H    LYS  41           H        LYS  41   0.713   6.574 -10.428
  273    HA   LYS  41           HA       LYS  41   2.974   6.901  -8.576
  274   1HB   LYS  41          HB2       LYS  41   4.252   7.503 -10.511
  275   2HB   LYS  41          HB3       LYS  41   3.386   5.980 -10.624
  276   1HG   LYS  41          HG2       LYS  41   1.563   7.684 -11.866
  277   2HG   LYS  41          HG3       LYS  41   3.048   8.528 -12.171
  278   1HD   LYS  41          HD2       LYS  41   2.475   7.078 -14.062
  279   2HD   LYS  41          HD3       LYS  41   4.000   6.614 -13.320
  280   1HE   LYS  41          HE2       LYS  41   2.777   4.631 -13.980
  281   2HE   LYS  41          HE3       LYS  41   2.944   4.685 -12.219
  282   1HZ   LYS  41          HZ1       LYS  41   0.523   4.938 -13.818
  283   2HZ   LYS  41          HZ2       LYS  41   0.848   4.020 -12.484
  284   3HZ   LYS  41          HZ3       LYS  41   0.565   5.611 -12.324
  285    H    LYS  42           H        LYS  42   1.417   8.157  -7.345
  286    HA   LYS  42           HA       LYS  42   2.107  10.940  -7.191
  287   1HB   LYS  42          HB2       LYS  42  -0.095  11.920  -7.725
  288   2HB   LYS  42          HB3       LYS  42   0.559  11.073  -9.128
  289   1HG   LYS  42          HG2       LYS  42  -0.835   9.033  -8.237
  290   2HG   LYS  42          HG3       LYS  42  -1.740  10.236  -7.309
  291   1HD   LYS  42          HD2       LYS  42  -1.281  10.216 -10.329
  292   2HD   LYS  42          HD3       LYS  42  -2.708   9.560  -9.514
  293   1HE   LYS  42          HE2       LYS  42  -3.262  11.809  -8.629
  294   2HE   LYS  42          HE3       LYS  42  -1.892  12.486  -9.534
  295   1HZ   LYS  42          HZ1       LYS  42  -3.968  12.630 -10.796
  296   2HZ   LYS  42          HZ2       LYS  42  -2.900  11.624 -11.554
  297   3HZ   LYS  42          HZ3       LYS  42  -4.153  10.993 -10.719
  298    H    SER  43           H        SER  43  -0.270   8.373  -6.325
  299    HA   SER  43           HA       SER  43  -0.633   9.434  -3.593
  300   1HB   SER  43          HB2       SER  43  -2.259   7.436  -3.596
  301   2HB   SER  43          HB3       SER  43  -2.631   8.787  -4.672
  302    HG   SER  43           HG       SER  43  -2.837   6.922  -5.852
  303    H    ALA  44           H        ALA  44   0.097   6.317  -5.184
  304    HA   ALA  44           HA       ALA  44   0.860   4.996  -2.756
  305   1HB   ALA  44          HB1       ALA  44   1.368   4.232  -5.657
  306   2HB   ALA  44          HB2       ALA  44   1.489   3.148  -4.251
  307   3HB   ALA  44          HB3       ALA  44  -0.074   3.865  -4.688
  308    H    HIS  45           HN       HIS  45   2.591   7.226  -4.543
  309    HA   HIS  45           HA       HIS  45   5.227   6.260  -3.572
  310   1HB   HIS  45          HB2       HIS  45   4.499   8.005  -5.980
  311   2HB   HIS  45          HB3       HIS  45   6.136   7.524  -5.548
  312    HD1  HIS  45           HND      HIS  45   2.803   5.910  -6.692
  313    HD2  HIS  45           HD       HIS  45   6.907   5.083  -6.293
  314    HE1  HIS  45           HE       HIS  45   3.154   3.669  -7.714
  315    H    LYS  46           H        LYS  46   2.891   8.439  -2.724
  316    HA   LYS  46           HA       LYS  46   4.852  10.589  -1.980
  317   1HB   LYS  46          HB2       LYS  46   2.857  11.158  -3.356
  318   2HB   LYS  46          HB3       LYS  46   1.809  10.716  -2.016
  319   1HG   LYS  46          HG2       LYS  46   3.091  12.426  -0.595
  320   2HG   LYS  46          HG3       LYS  46   3.948  12.884  -2.081
  321   1HD   LYS  46          HD2       LYS  46   1.572  13.247  -3.115
  322   2HD   LYS  46          HD3       LYS  46   0.958  13.030  -1.478
  323   1HE   LYS  46          HE2       LYS  46   1.106  15.379  -1.765
  324   2HE   LYS  46          HE3       LYS  46   2.465  14.944  -0.720
  325   1HZ   LYS  46          HZ1       LYS  46   2.599  15.415  -3.641
  326   2HZ   LYS  46          HZ2       LYS  46   3.116  16.461  -2.484
  327   3HZ   LYS  46          HZ3       LYS  46   3.882  15.023  -2.693
  328    H    ASP  47           H        ASP  47   1.897   9.112  -0.730
  329    HA   ASP  47           HA       ASP  47   3.100   8.862   2.003
  330   1HB   ASP  47          HB2       ASP  47   1.888  10.965   1.957
  331   2HB   ASP  47          HB3       ASP  47   0.445  10.171   1.287
  332    H    ALA  48           H        ALA  48   0.174   7.966   0.016
  333    HA   ALA  48           HA       ALA  48  -0.788   5.985   1.684
  334   1HB   ALA  48          HB1       ALA  48  -0.811   6.076  -1.360
  335   2HB   ALA  48          HB2       ALA  48  -1.871   5.077  -0.344
  336   3HB   ALA  48          HB3       ALA  48  -1.985   6.847  -0.271
  337    H    CYS  49           HN       CYS  49  -0.016   4.114   2.360
  338    HA   CYS  49           HA       CYS  49   1.094   2.147   2.556
  339   1HB   CYS  49          HB2       CYS  49   1.867   2.366  -0.371
  340   2HB   CYS  49          HB3       CYS  49   1.950   0.978   0.702
  341    H    LYS  50           H        LYS  50   3.108   4.170   0.451
  342    HA   LYS  50           HA       LYS  50   5.687   3.823   1.275
  343   1HB   LYS  50          HB2       LYS  50   4.032   6.323   0.853
  344   2HB   LYS  50          HB3       LYS  50   5.715   6.427   1.313
  345   1HG   LYS  50          HG2       LYS  50   5.254   4.573  -0.957
  346   2HG   LYS  50          HG3       LYS  50   4.662   6.195  -1.257
  347   1HD   LYS  50          HD2       LYS  50   7.517   5.463  -0.435
  348   2HD   LYS  50          HD3       LYS  50   6.973   5.959  -2.042
  349   1HE   LYS  50          HE2       LYS  50   6.034   8.065  -0.570
  350   2HE   LYS  50          HE3       LYS  50   7.401   7.616   0.444
  351   1HZ   LYS  50          HZ1       LYS  50   7.412   8.396  -2.387
  352   2HZ   LYS  50          HZ2       LYS  50   8.052   9.237  -1.155
  353   3HZ   LYS  50          HZ3       LYS  50   8.773   7.824  -1.631
  354    H    THR  51           H        THR  51   3.520   6.078   3.133
  355    HA   THR  51           HA       THR  51   5.434   6.565   5.096
  356    HB   THR  51           HB       THR  51   2.421   6.861   5.151
  357    HG1  THR  51           HG1      THR  51   3.032   8.923   4.549
  358   1HG2  THR  51          HG2       THR  51   3.191   6.873   7.512
  359   2HG2  THR  51          HG2       THR  51   4.522   7.974   7.076
  360   3HG2  THR  51          HG2       THR  51   2.837   8.520   6.963
  361    H    CYS  52           HN       CYS  52   2.838   4.048   5.334
  362    HA   CYS  52           HA       CYS  52   3.610   3.009   7.906
  363   1HB   CYS  52          HB2       CYS  52   2.570   1.594   5.421
  364   2HB   CYS  52          HB3       CYS  52   2.836   0.849   7.005
  365    H    HIS  53           HN       HIS  53   4.629   2.178   4.607
  366    HA   HIS  53           HA       HIS  53   6.662   0.304   5.408
  367   1HB   HIS  53          HB2       HIS  53   5.822   1.729   2.877
  368   2HB   HIS  53          HB3       HIS  53   7.253   0.727   2.904
  369    HD1  HIS  53           HND      HIS  53   7.032  -1.829   3.516
  370    HD2  HIS  53           HD       HIS  53   3.376   0.189   3.227
  371    HE1  HIS  53           HE       HIS  53   5.208  -3.595   3.674
  372    H    LYS  54           H        LYS  54   6.739   3.547   5.979
  373    HA   LYS  54           HA       LYS  54   9.738   3.623   6.026
  374   1HB   LYS  54          HB2       LYS  54   7.714   5.828   6.316
  375   2HB   LYS  54          HB3       LYS  54   9.475   5.871   6.525
  376   1HG   LYS  54          HG2       LYS  54   9.625   4.849   4.164
  377   2HG   LYS  54          HG3       LYS  54   7.942   5.333   3.976
  378   1HD   LYS  54          HD2       LYS  54   8.751   7.609   5.061
  379   2HD   LYS  54          HD3       LYS  54  10.387   6.940   4.794
  380   1HE   LYS  54          HE2       LYS  54   9.844   6.898   2.313
  381   2HE   LYS  54          HE3       LYS  54   8.287   7.659   2.688
  382   1HZ   LYS  54          HZ1       LYS  54   9.966   9.318   2.076
  383   2HZ   LYS  54          HZ2       LYS  54   9.485   9.523   3.632
  384   3HZ   LYS  54          HZ3       LYS  54  10.934   8.825   3.308
  385    H    SER  55           H        SER  55   6.856   4.587   7.998
  386    HA   SER  55           HA       SER  55   6.742   5.103  10.243
  387   1HB   SER  55          HB2       SER  55   6.235   2.691  10.164
  388   2HB   SER  55          HB3       SER  55   7.950   2.306  10.392
  389    HG   SER  55           HG       SER  55   7.849   3.473  12.378
  390    H    ASN  56           H        ASN  56   8.959   6.284   9.138
  391    HA   ASN  56           HA       ASN  56  11.011   7.106   9.304
  392   1HB   ASN  56          HB2       ASN  56  11.740   7.988  11.415
  393   2HB   ASN  56          HB3       ASN  56  10.026   8.293  11.110
  394   1HD2  ASN  56          HD2       ASN  56   8.617   7.827  12.793
  395   2HD2  ASN  56          HD2       ASN  56   9.059   6.789  14.144
  396    H    ASN  57           H        ASN  57  10.785   3.967   9.938
  397    HA   ASN  57           HA       ASN  57  13.685   3.484   9.809
  398   1HB   ASN  57          HB2       ASN  57  11.953   2.725  12.194
  399   2HB   ASN  57          HB3       ASN  57  13.312   1.710  11.702
  400   1HD2  ASN  57          HD2       ASN  57  12.510   4.855  13.194
  401   2HD2  ASN  57          HD2       ASN  57  14.181   5.137  13.641
  402    H    GLY  58           H        GLY  58  12.675   3.039   7.653
  403   1HA   GLY  58          HA2       GLY  58  11.916   0.193   7.404
  404   2HA   GLY  58          HA3       GLY  58  10.706   1.395   6.911
  405    HA   PRO  59           HA       PRO  59  14.069  -0.212   3.895
  406   1HB   PRO  59          HB2       PRO  59  12.361  -0.912   1.759
  407   2HB   PRO  59          HB3       PRO  59  12.959  -1.981   3.055
  408   1HG   PRO  59          HG2       PRO  59  10.341  -0.463   2.974
  409   2HG   PRO  59          HG3       PRO  59  10.610  -2.178   3.410
  410   1HD   PRO  59          HD2       PRO  59  10.331  -0.369   5.349
  411   2HD   PRO  59          HD3       PRO  59  11.668  -1.544   5.483
  412    H    THR  60           H        THR  60  11.313   1.864   2.901
  413    HA   THR  60           HA       THR  60  11.244   3.697   1.523
  414    HB   THR  60           HB       THR  60  13.982   4.216   2.772
  415    HG1  THR  60           HG1      THR  60  12.589   3.724   4.386
  416   1HG2  THR  60          HG2       THR  60  13.028   6.589   2.841
  417   2HG2  THR  60          HG2       THR  60  13.534   6.036   1.248
  418   3HG2  THR  60          HG2       THR  60  11.811   6.040   1.667
  419    H    LYS  61           H        LYS  61  11.898   1.541  -0.024
  420    HA   LYS  61           HA       LYS  61  13.483   2.792  -2.176
  421   1HB   LYS  61          HB2       LYS  61  14.835   1.140  -0.516
  422   2HB   LYS  61          HB3       LYS  61  14.088  -0.093  -1.535
  423   1HG   LYS  61          HG2       LYS  61  15.074   1.201  -3.546
  424   2HG   LYS  61          HG3       LYS  61  15.914   2.205  -2.338
  425   1HD   LYS  61          HD2       LYS  61  16.781  -0.036  -1.353
  426   2HD   LYS  61          HD3       LYS  61  16.239  -0.796  -2.845
  427   1HE   LYS  61          HE2       LYS  61  18.321   1.429  -2.515
  428   2HE   LYS  61          HE3       LYS  61  18.645  -0.260  -2.916
  429   1HZ   LYS  61          HZ1       LYS  61  17.450   0.076  -4.996
  430   2HZ   LYS  61          HZ2       LYS  61  17.191   1.660  -4.625
  431   3HZ   LYS  61          HZ3       LYS  61  18.717   1.112  -4.868
  432    H    CYS  62           HN       CYS  62  12.967   1.964  -4.237
  433    HA   CYS  62           HA       CYS  62  10.362   1.231  -4.793
  434   1HB   CYS  62          HB2       CYS  62  12.660   0.340  -6.524
  435   2HB   CYS  62          HB3       CYS  62  11.056   0.888  -7.014
  436    H    GLY  63           H        GLY  63  13.112  -0.957  -4.528
  437   1HA   GLY  63          HA2       GLY  63  11.807  -3.416  -4.952
  438   2HA   GLY  63          HA3       GLY  63  13.318  -3.176  -4.063
  439    H    GLY  64           H        GLY  64  11.427  -1.330  -2.208
  440   1HA   GLY  64          HA2       GLY  64  10.739  -3.324  -0.219
  441   2HA   GLY  64          HA3       GLY  64  10.281  -1.615  -0.251
  442    H    CYS  65           HN       CYS  65   9.184  -2.067  -3.106
  443    HA   CYS  65           HA       CYS  65   6.634  -3.512  -2.407
  444   1HB   CYS  65          HB2       CYS  65   7.062  -0.984  -3.993
  445   2HB   CYS  65          HB3       CYS  65   5.537  -1.877  -3.891
  446    H    HIS  66           HN       HIS  66   8.607  -2.322  -5.194
  447    HA   HIS  66           HA       HIS  66   7.220  -4.121  -7.026
  448   1HB   HIS  66          HB2       HIS  66   9.707  -2.404  -7.393
  449   2HB   HIS  66          HB3       HIS  66   8.866  -3.273  -8.622
  450    HD1  HIS  66           HND      HIS  66   6.790  -2.332  -9.661
  451    HD2  HIS  66           HD       HIS  66   8.283  -0.106  -6.450
  452    HE1  HIS  66           HE       HIS  66   5.561  -0.104  -9.712
  453    H    ILE  67           H        ILE  67   7.732  -6.265  -7.412
  454    HA   ILE  67           HA       ILE  67   9.912  -7.612  -6.207
  455    HB   ILE  67           HB       ILE  67   8.558  -8.314  -8.835
  456   1HG1  ILE  67          HG1       ILE  67   6.856  -8.167  -7.155
  457   2HG1  ILE  67          HG1       ILE  67   7.172  -9.854  -7.503
  458   1HG2  ILE  67          HG2       ILE  67  10.260  -9.988  -6.942
  459   2HG2  ILE  67          HG2       ILE  67   9.250 -10.658  -8.239
  460   3HG2  ILE  67          HG2       ILE  67  10.597  -9.594  -8.637
  461   1HD1  ILE  67          HD1       ILE  67   6.849  -9.556  -5.121
  462   2HD1  ILE  67          HD1       ILE  67   8.542  -9.999  -5.391
  463   3HD1  ILE  67          HD1       ILE  67   8.099  -8.310  -5.037
  464    H    LYS  68           H        LYS  68  12.037  -7.940  -6.642
  465    HA   LYS  68           HA       LYS  68  13.374  -7.346  -9.081
  466   1HB   LYS  68          HB2       LYS  68  14.596  -5.400  -8.432
  467   2HB   LYS  68          HB3       LYS  68  12.891  -5.035  -8.217
  468   1HG   LYS  68          HG2       LYS  68  13.485  -4.344  -6.192
  469   2HG   LYS  68          HG3       LYS  68  13.396  -6.046  -5.765
  470   1HD   LYS  68          HD2       LYS  68  16.067  -5.547  -6.794
  471   2HD   LYS  68          HD3       LYS  68  15.665  -4.189  -5.762
  472   1HE   LYS  68          HE2       LYS  68  16.813  -5.739  -4.402
  473   2HE   LYS  68          HE3       LYS  68  15.120  -5.858  -3.899
  474   1HZ   LYS  68          HZ1       LYS  68  14.933  -7.908  -5.096
  475   2HZ   LYS  68          HZ2       LYS  68  16.214  -7.671  -5.956
  476   3HZ   LYS  68          HZ3       LYS  68  16.396  -8.047  -4.338
  477    HHA  HEC 130           HCM      HEC  30 -10.775  -0.177  -3.132
  478    HHB  HEC 130           HDM      HEC  30 -13.812  -2.521   1.862
  479    HHC  HEC 130           HAM      HEC  30  -8.270  -3.750   4.488
  480    HHD  HEC 130           HBM      HEC  30  -5.682   0.023   0.420
  481   1HMA  HEC 130          HM8       HEC  30 -15.409  -1.902  -1.466
  482   2HMA  HEC 130          HM8       HEC  30 -15.260  -2.539   0.166
  483   3HMA  HEC 130          HM8       HEC  30 -15.462  -0.786  -0.092
  484   1HAA  HEC 130          HP7       HEC  30 -12.943   0.339  -3.338
  485   2HAA  HEC 130          HP7       HEC  30 -14.496  -0.115  -2.682
  486   1HBA  HEC 130          HP7       HEC  30 -14.164  -2.423  -3.592
  487   2HBA  HEC 130          HP7       HEC  30 -12.648  -1.876  -4.320
  488   1HMB  HEC 130          HM1       HEC  30 -13.478  -4.331   5.149
  489   2HMB  HEC 130          HM1       HEC  30 -14.078  -2.814   4.477
  490   3HMB  HEC 130          HM1       HEC  30 -14.092  -4.303   3.495
  491    HAB  HEC 130           HT2      HEC  30  -9.662  -4.327   5.909
  492   1HBB  HEC 130          HT2       HEC  30 -11.978  -6.142   5.180
  493   2HBB  HEC 130          HT2       HEC  30 -10.286  -6.363   4.687
  494   3HBB  HEC 130          HT2       HEC  30 -10.738  -6.460   6.401
  495   1HMC  HEC 130          HM3       HEC  30  -6.160  -2.980   5.377
  496   2HMC  HEC 130          HM3       HEC  30  -5.669  -4.210   4.169
  497   3HMC  HEC 130          HM3       HEC  30  -4.651  -2.798   4.481
  498    HAC  HEC 130           HT4      HEC  30  -4.695   0.362   2.177
  499   1HBC  HEC 130          HT4       HEC  30  -3.273  -2.209   2.833
  500   2HBC  HEC 130          HT4       HEC  30  -3.299  -1.247   1.329
  501   3HBC  HEC 130          HT4       HEC  30  -2.546  -0.591   2.796
  502   1HMD  HEC 130          HM5       HEC  30  -5.401   0.427  -2.925
  503   2HMD  HEC 130          HM5       HEC  30  -5.859   2.042  -2.353
  504   3HMD  HEC 130          HM5       HEC  30  -4.998   0.925  -1.284
  505   1HAD  HEC 130          HP6       HEC  30  -7.653   1.852  -3.911
  506   2HAD  HEC 130          HP6       HEC  30  -9.255   1.227  -4.190
  507   1HBD  HEC 130          HP6       HEC  30  -8.307  -0.887  -5.029
  508   2HBD  HEC 130          HP6       HEC  30  -6.694  -0.259  -4.730
  509    HHA  HEC 153           HCM      HEC  53   4.012  -6.772   4.823
  510    HHB  HEC 153           HDM      HEC  53   3.247  -3.989  -0.683
  511    HHC  HEC 153           HAM      HEC  53  -0.481   0.162   2.119
  512    HHD  HEC 153           HBM      HEC  53   1.781  -1.660   7.603
  513   1HMA  HEC 153          HM8       HEC  53   5.318  -7.072  -0.226
  514   2HMA  HEC 153          HM8       HEC  53   3.757  -6.605  -0.926
  515   3HMA  HEC 153          HM8       HEC  53   5.116  -5.448  -0.877
  516   1HAA  HEC 153          HP7       HEC  53   4.995  -8.336   1.594
  517   2HAA  HEC 153          HP7       HEC  53   4.726  -8.217   3.312
  518   1HBA  HEC 153          HP7       HEC  53   6.636  -6.653   3.518
  519   2HBA  HEC 153          HP7       HEC  53   6.902  -6.740   1.775
  520   1HMB  HEC 153          HM1       HEC  53   1.180  -2.575  -2.516
  521   2HMB  HEC 153          HM1       HEC  53   2.028  -1.011  -2.412
  522   3HMB  HEC 153          HM1       HEC  53   2.910  -2.454  -2.097
  523    HAB  HEC 153           HT2      HEC  53  -1.295  -0.498  -0.483
  524   1HBB  HEC 153          HT2       HEC  53  -0.905   0.894  -2.386
  525   2HBB  HEC 153          HT2       HEC  53   0.840   0.764  -2.237
  526   3HBB  HEC 153          HT2       HEC  53  -0.147  -0.677  -2.660
  527   1HMC  HEC 153          HM3       HEC  53  -1.044   1.764   3.436
  528   2HMC  HEC 153          HM3       HEC  53  -2.142   1.000   4.593
  529   3HMC  HEC 153          HM3       HEC  53  -0.941   2.171   5.134
  530    HAC  HEC 153           HT4      HEC  53   0.807   0.181   8.013
  531   1HBC  HEC 153          HT4       HEC  53  -1.885   1.115   6.978
  532   2HBC  HEC 153          HT4       HEC  53  -1.494  -0.095   8.221
  533   3HBC  HEC 153          HT4       HEC  53  -1.183   1.603   8.526
  534   1HMD  HEC 153          HM5       HEC  53   3.381  -2.862   9.125
  535   2HMD  HEC 153          HM5       HEC  53   1.747  -3.572   9.186
  536   3HMD  HEC 153          HM5       HEC  53   3.168  -4.582   9.463
  537   1HAD  HEC 153          HP6       HEC  53   3.334  -7.367   6.842
  538   2HAD  HEC 153          HP6       HEC  53   2.517  -6.602   8.178
  539   1HBD  HEC 153          HP6       HEC  53   4.981  -5.683   8.739
  540   2HBD  HEC 153          HP6       HEC  53   5.447  -7.091   7.785
  541    HHA  HEC 166           HCM      HEC  66   3.021   1.832 -10.808
  542    HHB  HEC 166           HDM      HEC  66   8.951   3.578 -10.675
  543    HHC  HEC 166           HAM      HEC  66   8.961   3.046  -4.474
  544    HHD  HEC 166           HBM      HEC  66   3.374   0.346  -4.764
  545   1HMA  HEC 166          HM8       HEC  66   8.330   3.086 -12.937
  546   2HMA  HEC 166          HM8       HEC  66   6.875   3.630 -13.766
  547   3HMA  HEC 166          HM8       HEC  66   7.697   4.726 -12.647
  548   1HAA  HEC 166          HP7       HEC  66   4.649   3.529 -13.597
  549   2HAA  HEC 166          HP7       HEC  66   3.406   2.571 -12.788
  550   1HBA  HEC 166          HP7       HEC  66   4.683   0.553 -13.206
  551   2HBA  HEC 166          HP7       HEC  66   5.932   1.465 -14.047
  552   1HMB  HEC 166          HM1       HEC  66  11.205   3.277  -9.987
  553   2HMB  HEC 166          HM1       HEC  66  10.817   4.984  -9.661
  554   3HMB  HEC 166          HM1       HEC  66  12.016   4.125  -8.686
  555    HAB  HEC 166           HT2      HEC  66  10.933   3.558  -4.969
  556   1HBB  HEC 166          HT2       HEC  66  11.921   5.565  -7.015
  557   2HBB  HEC 166          HT2       HEC  66  10.797   5.893  -5.691
  558   3HBB  HEC 166          HT2       HEC  66  12.460   5.383  -5.342
  559   1HMC  HEC 166          HM3       HEC  66   7.319   1.599  -1.510
  560   2HMC  HEC 166          HM3       HEC  66   8.687   1.507  -2.598
  561   3HMC  HEC 166          HM3       HEC  66   7.945   3.086  -2.226
  562    HAC  HEC 166           HT4      HEC  66   4.071  -0.037  -2.851
  563   1HBC  HEC 166          HT4       HEC  66   5.259   1.964  -0.903
  564   2HBC  HEC 166          HT4       HEC  66   3.742   2.162  -1.794
  565   3HBC  HEC 166          HT4       HEC  66   3.937   0.830  -0.626
  566   1HMD  HEC 166          HM5       HEC  66   1.543  -0.561  -5.394
  567   2HMD  HEC 166          HM5       HEC  66   0.471   0.685  -6.056
  568   3HMD  HEC 166          HM5       HEC  66   0.674  -0.872  -6.888
  569   1HAD  HEC 166          HP6       HEC  66   0.337   1.912  -8.952
  570   2HAD  HEC 166          HP6       HEC  66   0.149   0.216  -8.726
  571   1HBD  HEC 166          HP6       HEC  66  -0.158   0.089 -10.860
  572   2HBD  HEC 166          HP6       HEC  66   1.565   0.051 -10.973
  Start of MODEL   12
    1   1H    ALA   1          H1        ALA   1 -11.479  -9.085  -1.686
    2   2H    ALA   1          H2        ALA   1 -12.376  -9.776  -2.883
    3   3H    ALA   1          H3        ALA   1 -11.292 -10.651  -1.984
    4    HA   ALA   1           HA       ALA   1 -10.648  -9.963  -4.346
    5   1HB   ALA   1          HB1       ALA   1  -9.579  -7.770  -4.496
    6   2HB   ALA   1          HB2       ALA   1 -11.294  -7.598  -4.079
    7   3HB   ALA   1          HB3       ALA   1 -10.048  -7.391  -2.824
    8    H    ASP   2           H        ASP   2  -9.216  -9.181  -1.149
    9    HA   ASP   2           HA       ASP   2  -7.531 -10.113  -0.037
   10   1HB   ASP   2          HB2       ASP   2  -8.641 -12.502  -1.543
   11   2HB   ASP   2          HB3       ASP   2  -7.801 -12.542   0.010
   12    H    VAL   3           H        VAL   3  -5.612  -9.266  -0.604
   13    HA   VAL   3           HA       VAL   3  -3.514  -9.074  -1.364
   14    HB   VAL   3           HB       VAL   3  -3.768 -12.049  -1.695
   15   1HG1  VAL   3          HG1       VAL   3  -1.281 -10.301  -1.406
   16   2HG1  VAL   3          HG1       VAL   3  -1.288 -12.071  -1.425
   17   3HG1  VAL   3          HG1       VAL   3  -1.724 -11.181  -2.886
   18   1HG2  VAL   3          HG2       VAL   3  -4.231 -11.296   0.616
   19   2HG2  VAL   3          HG2       VAL   3  -2.689 -12.153   0.514
   20   3HG2  VAL   3          HG2       VAL   3  -2.701 -10.389   0.621
   21    H    VAL   4           H        VAL   4  -4.204  -7.710  -2.994
   22    HA   VAL   4           HA       VAL   4  -4.673  -8.811  -5.722
   23    HB   VAL   4           HB       VAL   4  -4.790  -5.926  -4.778
   24   1HG1  VAL   4          HG1       VAL   4  -6.131  -5.602  -6.836
   25   2HG1  VAL   4          HG1       VAL   4  -4.510  -6.181  -7.224
   26   3HG1  VAL   4          HG1       VAL   4  -5.883  -7.305  -7.265
   27   1HG2  VAL   4          HG2       VAL   4  -6.498  -7.159  -3.536
   28   2HG2  VAL   4          HG2       VAL   4  -7.214  -6.099  -4.756
   29   3HG2  VAL   4          HG2       VAL   4  -7.107  -7.856  -5.054
   30    H    THR   5           H        THR   5  -3.152  -8.548  -7.383
   31    HA   THR   5           HA       THR   5  -0.581  -7.164  -6.690
   32    HB   THR   5           HB       THR   5  -1.158  -9.843  -7.779
   33    HG1  THR   5           HG1      THR   5   1.125  -8.508  -6.758
   34   1HG2  THR   5          HG2       THR   5   0.764  -9.910  -9.328
   35   2HG2  THR   5          HG2       THR   5  -0.612  -8.995  -9.946
   36   3HG2  THR   5          HG2       THR   5   0.824  -8.135  -9.326
   37    H    TYR   6           H        TYR   6   0.210  -5.619  -7.850
   38    HA   TYR   6           HA       TYR   6  -1.412  -4.752 -10.235
   39   1HB   TYR   6          HB2       TYR   6   0.224  -2.906  -8.400
   40   2HB   TYR   6          HB3       TYR   6  -0.339  -2.628  -9.954
   41    HD1  TYR   6           HD1      TYR   6  -1.824  -0.788  -9.413
   42    HD2  TYR   6           HD2      TYR   6  -2.297  -4.563  -7.363
   43    HE1  TYR   6           HE1      TYR   6  -3.808   0.075  -8.193
   44    HE2  TYR   6           HE2      TYR   6  -4.215  -3.684  -6.173
   45    HH   TYR   6           HH       TYR   6  -5.572  -0.474  -6.680
   46    H    GLU   7           H        GLU   7  -0.520  -5.488 -11.972
   47    HA   GLU   7           HA       GLU   7   2.359  -5.891 -12.273
   48   1HB   GLU   7          HB2       GLU   7  -0.024  -6.718 -13.959
   49   2HB   GLU   7          HB3       GLU   7   1.651  -7.201 -14.254
   50   1HG   GLU   7          HG2       GLU   7   1.682  -8.325 -12.084
   51   2HG   GLU   7          HG3       GLU   7   0.027  -7.793 -11.730
   52    H    ASN   8           H        ASN   8   3.536  -4.174 -13.011
   53    HA   ASN   8           HA       ASN   8   2.161  -2.125 -14.705
   54   1HB   ASN   8          HB2       ASN   8   4.405  -1.556 -12.762
   55   2HB   ASN   8          HB3       ASN   8   3.045  -0.522 -13.264
   56   1HD2  ASN   8          HD2       ASN   8   4.417  -2.526 -10.836
   57   2HD2  ASN   8          HD2       ASN   8   2.896  -3.002 -10.083
   58    H    ALA   9           H        ALA   9   5.439  -1.447 -14.422
   59    HA   ALA   9           HA       ALA   9   6.240  -3.382 -16.573
   60   1HB   ALA   9          HB1       ALA   9   6.689  -0.380 -16.570
   61   2HB   ALA   9          HB2       ALA   9   7.237  -1.539 -17.815
   62   3HB   ALA   9          HB3       ALA   9   5.494  -1.260 -17.546
   63    H    ALA  10           H        ALA  10   7.269  -1.278 -13.911
   64    HA   ALA  10           HA       ALA  10  10.087  -2.083 -14.118
   65   1HB   ALA  10          HB1       ALA  10   8.591  -0.349 -12.112
   66   2HB   ALA  10          HB2       ALA  10  10.356  -0.455 -12.300
   67   3HB   ALA  10          HB3       ALA  10   9.362   0.224 -13.604
   68    H    GLY  11           H        GLY  11   7.502  -3.716 -12.907
   69   1HA   GLY  11          HA2       GLY  11   8.270  -5.872 -11.600
   70   2HA   GLY  11          HA3       GLY  11   8.784  -4.696 -10.404
   71    H    ASN  12           H        ASN  12   6.356  -6.774 -10.781
   72    HA   ASN  12           HA       ASN  12   4.142  -4.928 -10.325
   73   1HB   ASN  12          HB2       ASN  12   2.739  -6.831 -10.092
   74   2HB   ASN  12          HB3       ASN  12   3.817  -7.077 -11.487
   75   1HD2  ASN  12          HD2       ASN  12   2.743  -8.608  -8.623
   76   2HD2  ASN  12          HD2       ASN  12   3.962  -9.866  -8.703
   77    H    VAL  13           H        VAL  13   2.820  -5.098  -8.388
   78    HA   VAL  13           HA       VAL  13   4.447  -5.441  -5.881
   79    HB   VAL  13           HB       VAL  13   3.862  -3.108  -6.832
   80   1HG1  VAL  13          HG1       VAL  13   1.386  -3.942  -7.035
   81   2HG1  VAL  13          HG1       VAL  13   1.276  -3.464  -5.336
   82   3HG1  VAL  13          HG1       VAL  13   1.747  -2.261  -6.566
   83   1HG2  VAL  13          HG2       VAL  13   3.090  -3.470  -3.923
   84   2HG2  VAL  13          HG2       VAL  13   4.749  -3.500  -4.528
   85   3HG2  VAL  13          HG2       VAL  13   3.746  -2.055  -4.739
   86    H    THR  14           H        THR  14   2.510  -5.214  -3.972
   87    HA   THR  14           HA       THR  14   0.469  -7.242  -4.375
   88    HB   THR  14           HB       THR  14   2.572  -7.511  -2.188
   89    HG1  THR  14           HG1      THR  14   2.738  -9.589  -3.356
   90   1HG2  THR  14          HG2       THR  14   0.220  -9.277  -3.012
   91   2HG2  THR  14          HG2       THR  14   1.342  -9.575  -1.664
   92   3HG2  THR  14          HG2       THR  14   0.219  -8.219  -1.586
   93    H    PHE  15           H        PHE  15  -1.014  -5.874  -3.966
   94    HA   PHE  15           HA       PHE  15  -1.302  -4.158  -1.559
   95   1HB   PHE  15          HB2       PHE  15  -3.147  -4.935  -3.827
   96   2HB   PHE  15          HB3       PHE  15  -3.690  -4.011  -2.435
   97    HD1  PHE  15           HD1      PHE  15  -3.630  -1.686  -2.575
   98    HD2  PHE  15           HD2      PHE  15  -1.068  -4.027  -5.125
   99    HE1  PHE  15           HE1      PHE  15  -2.973   0.340  -3.795
  100    HE2  PHE  15           HE2      PHE  15  -0.455  -1.985  -6.365
  101    HZ   PHE  15           HZ       PHE  15  -1.454   0.134  -5.815
  102    H    ASP  16           H        ASP  16  -1.121  -5.530   0.166
  103    HA   ASP  16           HA       ASP  16  -2.322  -8.129   0.309
  104   1HB   ASP  16          HB2       ASP  16  -0.833  -6.211   2.095
  105   2HB   ASP  16          HB3       ASP  16  -1.331  -7.808   2.691
  106    H    HIS  17           HN       HIS  17  -4.505  -6.962  -0.274
  107    HA   HIS  17           HA       HIS  17  -5.850  -5.218   1.296
  108   1HB   HIS  17          HB2       HIS  17  -6.443  -6.652  -0.950
  109   2HB   HIS  17          HB3       HIS  17  -7.547  -7.444   0.160
  110    HD1  HIS  17           HND      HIS  17  -8.111  -5.242  -2.343
  111    HD2  HIS  17           HD       HIS  17  -8.245  -4.659   1.799
  112    HE1  HIS  17           HE       HIS  17  -9.391  -3.093  -1.971
  113    H    LYS  18           H        LYS  18  -5.854  -8.669   1.633
  114    HA   LYS  18           HA       LYS  18  -7.535  -8.804   4.022
  115   1HB   LYS  18          HB2       LYS  18  -7.700 -10.261   2.113
  116   2HB   LYS  18          HB3       LYS  18  -6.077 -10.888   2.330
  117   1HG   LYS  18          HG2       LYS  18  -8.246 -11.154   4.468
  118   2HG   LYS  18          HG3       LYS  18  -8.093 -12.261   3.096
  119   1HD   LYS  18          HD2       LYS  18  -5.569 -12.489   3.854
  120   2HD   LYS  18          HD3       LYS  18  -6.174 -11.926   5.416
  121   1HE   LYS  18          HE2       LYS  18  -7.156 -14.346   3.813
  122   2HE   LYS  18          HE3       LYS  18  -6.135 -14.395   5.257
  123   1HZ   LYS  18          HZ1       LYS  18  -8.438 -14.804   5.823
  124   2HZ   LYS  18          HZ2       LYS  18  -7.921 -13.415   6.509
  125   3HZ   LYS  18          HZ3       LYS  18  -8.896 -13.347   5.198
  126    H    ALA  19           H        ALA  19  -4.158  -9.892   3.233
  127    HA   ALA  19           HA       ALA  19  -3.501 -10.668   5.862
  128   1HB   ALA  19          HB1       ALA  19  -1.163 -10.581   5.063
  129   2HB   ALA  19          HB2       ALA  19  -2.229 -11.341   3.854
  130   3HB   ALA  19          HB3       ALA  19  -1.684  -9.662   3.645
  131    H    HIS  20           HN       HIS  20  -3.145  -7.400   4.365
  132    HA   HIS  20           HA       HIS  20  -1.927  -6.286   6.768
  133   1HB   HIS  20          HB2       HIS  20  -3.373  -5.017   4.415
  134   2HB   HIS  20          HB3       HIS  20  -2.911  -4.157   5.866
  135    HD1  HIS  20           HND      HIS  20  -0.544  -6.742   4.483
  136    HD2  HIS  20           HD       HIS  20  -1.061  -2.580   4.698
  137    HE1  HIS  20           HE       HIS  20   1.616  -5.749   3.758
  138    H    ALA  21           H        ALA  21  -5.336  -6.390   5.552
  139    HA   ALA  21           HA       ALA  21  -6.586  -5.014   7.625
  140   1HB   ALA  21          HB1       ALA  21  -8.587  -6.256   7.047
  141   2HB   ALA  21          HB2       ALA  21  -7.727  -5.702   5.591
  142   3HB   ALA  21          HB3       ALA  21  -7.657  -7.409   6.088
  143    H    GLU  22           H        GLU  22  -5.786  -8.497   7.560
  144    HA   GLU  22           HA       GLU  22  -6.906  -9.463   9.868
  145   1HB   GLU  22          HB2       GLU  22  -4.135  -9.877   8.698
  146   2HB   GLU  22          HB3       GLU  22  -4.753 -10.867  10.010
  147   1HG   GLU  22          HG2       GLU  22  -6.233 -10.606   7.367
  148   2HG   GLU  22          HG3       GLU  22  -5.013 -11.848   7.687
  149    H    LYS  23           H        LYS  23  -4.117  -7.242   9.737
  150    HA   LYS  23           HA       LYS  23  -4.062  -7.026  12.723
  151   1HB   LYS  23          HB2       LYS  23  -2.129  -6.338  10.480
  152   2HB   LYS  23          HB3       LYS  23  -1.948  -5.728  12.126
  153   1HG   LYS  23          HG2       LYS  23  -1.808  -7.975  13.037
  154   2HG   LYS  23          HG3       LYS  23  -2.185  -8.695  11.461
  155   1HD   LYS  23          HD2       LYS  23  -0.125  -7.817  10.492
  156   2HD   LYS  23          HD3       LYS  23   0.265  -6.953  11.995
  157   1HE   LYS  23          HE2       LYS  23   0.450  -9.082  13.223
  158   2HE   LYS  23          HE3       LYS  23  -0.061  -9.992  11.792
  159   1HZ   LYS  23          HZ1       LYS  23   2.408  -8.379  11.975
  160   2HZ   LYS  23          HZ2       LYS  23   2.334 -10.018  12.073
  161   3HZ   LYS  23          HZ3       LYS  23   1.932  -9.261  10.672
  162    H    LEU  24           H        LEU  24  -4.199  -5.087   9.736
  163    HA   LEU  24           HA       LEU  24  -4.342  -2.560  11.055
  164   1HB   LEU  24          HB2       LEU  24  -4.983  -3.372   8.184
  165   2HB   LEU  24          HB3       LEU  24  -4.791  -1.743   8.789
  166    HG   LEU  24           HG       LEU  24  -2.637  -3.795   8.366
  167   1HD1  LEU  24          HD1       LEU  24  -2.996  -0.864   7.594
  168   2HD1  LEU  24          HD1       LEU  24  -1.709  -1.951   7.027
  169   3HD1  LEU  24          HD1       LEU  24  -3.405  -2.201   6.550
  170   1HD2  LEU  24          HD2       LEU  24  -2.112  -2.955  10.581
  171   2HD2  LEU  24          HD2       LEU  24  -1.051  -2.169   9.407
  172   3HD2  LEU  24          HD2       LEU  24  -2.441  -1.281  10.073
  173    H    GLY  25           H        GLY  25  -6.945  -4.755  10.294
  174   1HA   GLY  25          HA2       GLY  25  -9.163  -4.589  10.753
  175   2HA   GLY  25          HA3       GLY  25  -8.771  -3.221  11.787
  176    H    CYS  26           HN       CYS  26  -8.307  -3.245   8.310
  177    HA   CYS  26           HA       CYS  26  -9.136  -2.115   6.543
  178   1HB   CYS  26          HB2       CYS  26 -11.683  -1.772   8.062
  179   2HB   CYS  26          HB3       CYS  26 -11.461  -1.677   6.308
  180    H    ASP  27           H        ASP  27 -10.266  -0.508   9.493
  181    HA   ASP  27           HA       ASP  27 -10.742   2.068   8.904
  182   1HB   ASP  27          HB2       ASP  27 -11.007   1.002  11.072
  183   2HB   ASP  27          HB3       ASP  27  -9.254   0.834  11.258
  184    H    ALA  28           H        ALA  28  -7.593   0.691   9.657
  185    HA   ALA  28           HA       ALA  28  -5.796   2.738   9.499
  186   1HB   ALA  28          HB1       ALA  28  -4.227   0.989   8.654
  187   2HB   ALA  28          HB2       ALA  28  -5.322   0.357   9.914
  188   3HB   ALA  28          HB3       ALA  28  -5.669   0.031   8.192
  189    H    CYS  29           HN       CYS  29  -7.421   1.317   6.649
  190    HA   CYS  29           HA       CYS  29  -5.880   3.127   4.793
  191   1HB   CYS  29          HB2       CYS  29  -7.214   0.453   4.342
  192   2HB   CYS  29          HB3       CYS  29  -6.520   1.491   3.092
  193    H    HIS  30           HN       HIS  30  -8.774   3.055   6.404
  194    HA   HIS  30           HA       HIS  30 -10.418   4.179   4.216
  195   1HB   HIS  30          HB2       HIS  30 -10.784   1.468   5.565
  196   2HB   HIS  30          HB3       HIS  30 -12.088   2.275   4.730
  197    HD1  HIS  30           HND      HIS  30 -10.483   3.086   2.086
  198    HD2  HIS  30           HD       HIS  30 -10.349  -0.573   4.049
  199    HE1  HIS  30           HE       HIS  30 -10.129   1.311   0.260
  200    H    GLU  31           H        GLU  31 -11.041   5.982   5.221
  201    HA   GLU  31           HA       GLU  31 -11.476   6.297   7.918
  202   1HB   GLU  31          HB2       GLU  31 -12.519   7.790   5.486
  203   2HB   GLU  31          HB3       GLU  31 -12.760   8.393   7.127
  204   1HG   GLU  31          HG2       GLU  31  -9.959   7.763   6.088
  205   2HG   GLU  31          HG3       GLU  31 -10.748   9.330   5.852
  206    H    GLY  32           H        GLY  32 -12.761   4.304   8.391
  207   1HA   GLY  32          HA2       GLY  32 -14.692   3.453   9.348
  208   2HA   GLY  32          HA3       GLY  32 -15.568   4.934   8.941
  209    H    THR  33           H        THR  33 -15.842   5.193   6.445
  210    HA   THR  33           HA       THR  33 -17.245   2.800   5.443
  211    HB   THR  33           HB       THR  33 -17.077   5.622   4.354
  212    HG1  THR  33           HG1      THR  33 -19.280   5.543   5.129
  213   1HG2  THR  33          HG2       THR  33 -18.828   3.250   3.536
  214   2HG2  THR  33          HG2       THR  33 -19.032   4.919   2.972
  215   3HG2  THR  33          HG2       THR  33 -17.584   4.014   2.521
  216    HA   PRO  34           HA       PRO  34 -13.463   2.115   2.934
  217   1HB   PRO  34          HB2       PRO  34 -13.944  -0.377   2.057
  218   2HB   PRO  34          HB3       PRO  34 -13.525  -0.077   3.769
  219   1HG   PRO  34          HG2       PRO  34 -16.312  -0.392   2.585
  220   2HG   PRO  34          HG3       PRO  34 -15.632  -1.257   3.995
  221   1HD   PRO  34          HD2       PRO  34 -17.173   0.958   4.244
  222   2HD   PRO  34          HD3       PRO  34 -15.791   0.673   5.348
  223    H    ALA  35           H        ALA  35 -13.029   2.248   0.709
  224    HA   ALA  35           HA       ALA  35 -15.090   2.042  -1.319
  225   1HB   ALA  35          HB1       ALA  35 -15.128   4.461  -1.872
  226   2HB   ALA  35          HB2       ALA  35 -15.788   4.164  -0.255
  227   3HB   ALA  35          HB3       ALA  35 -14.140   4.803  -0.433
  228    H    LYS  36           H        LYS  36 -14.221   2.692  -3.474
  229    HA   LYS  36           HA       LYS  36 -11.491   1.902  -3.759
  230   1HB   LYS  36          HB2       LYS  36 -11.761   2.167  -6.111
  231   2HB   LYS  36          HB3       LYS  36 -13.120   1.307  -5.399
  232   1HG   LYS  36          HG2       LYS  36 -14.446   3.493  -5.478
  233   2HG   LYS  36          HG3       LYS  36 -13.084   4.196  -6.349
  234   1HD   LYS  36          HD2       LYS  36 -13.857   3.420  -8.273
  235   2HD   LYS  36          HD3       LYS  36 -13.625   1.764  -7.727
  236   1HE   LYS  36          HE2       LYS  36 -16.144   3.437  -7.215
  237   2HE   LYS  36          HE3       LYS  36 -15.941   2.321  -8.573
  238   1HZ   LYS  36          HZ1       LYS  36 -15.883   1.495  -5.713
  239   2HZ   LYS  36          HZ2       LYS  36 -17.093   1.206  -6.777
  240   3HZ   LYS  36          HZ3       LYS  36 -15.614   0.503  -6.888
  241    H    ILE  37           H        ILE  37  -9.711   3.002  -3.546
  242    HA   ILE  37           HA       ILE  37  -9.637   5.985  -3.790
  243    HB   ILE  37           HB       ILE  37  -7.777   3.971  -2.462
  244   1HG1  ILE  37          HG1       ILE  37  -9.389   6.155  -1.086
  245   2HG1  ILE  37          HG1       ILE  37 -10.047   4.534  -1.318
  246   1HG2  ILE  37          HG2       ILE  37  -6.566   5.989  -1.611
  247   2HG2  ILE  37          HG2       ILE  37  -6.493   5.877  -3.363
  248   3HG2  ILE  37          HG2       ILE  37  -7.618   7.018  -2.601
  249   1HD1  ILE  37          HD1       ILE  37  -9.088   4.683   0.886
  250   2HD1  ILE  37          HD1       ILE  37  -8.167   3.529  -0.095
  251   3HD1  ILE  37          HD1       ILE  37  -7.511   5.147   0.236
  252    H    ALA  38           H        ALA  38  -8.586   6.777  -5.653
  253    HA   ALA  38           HA       ALA  38  -7.546   4.882  -7.572
  254   1HB   ALA  38          HB1       ALA  38  -6.968   6.810  -8.902
  255   2HB   ALA  38          HB2       ALA  38  -8.630   6.941  -8.285
  256   3HB   ALA  38          HB3       ALA  38  -7.326   7.907  -7.545
  257    H    ILE  39           H        ILE  39  -5.764   3.827  -7.375
  258    HA   ILE  39           HA       ILE  39  -3.372   4.977  -6.035
  259    HB   ILE  39           HB       ILE  39  -3.969   2.133  -6.862
  260   1HG1  ILE  39          HG1       ILE  39  -5.525   2.835  -5.120
  261   2HG1  ILE  39          HG1       ILE  39  -4.370   1.700  -4.540
  262   1HG2  ILE  39          HG2       ILE  39  -1.609   3.564  -5.707
  263   2HG2  ILE  39          HG2       ILE  39  -1.980   2.014  -4.983
  264   3HG2  ILE  39          HG2       ILE  39  -1.678   2.129  -6.740
  265   1HD1  ILE  39          HD1       ILE  39  -3.046   3.594  -3.485
  266   2HD1  ILE  39          HD1       ILE  39  -4.314   4.716  -4.030
  267   3HD1  ILE  39          HD1       ILE  39  -4.698   3.453  -2.864
  268    H    ASP  40           H        ASP  40  -1.624   5.535  -7.069
  269    HA   ASP  40           HA       ASP  40  -0.735   4.683  -9.664
  270   1HB   ASP  40          HB2       ASP  40  -2.769   6.189 -10.160
  271   2HB   ASP  40          HB3       ASP  40  -1.975   7.502  -9.294
  272    H    LYS  41           H        LYS  41   0.930   6.608 -10.243
  273    HA   LYS  41           HA       LYS  41   2.911   6.569  -8.094
  274   1HB   LYS  41          HB2       LYS  41   3.424   5.905 -10.401
  275   2HB   LYS  41          HB3       LYS  41   2.986   7.514 -10.972
  276   1HG   LYS  41          HG2       LYS  41   4.967   7.786  -8.871
  277   2HG   LYS  41          HG3       LYS  41   5.516   6.529  -9.989
  278   1HD   LYS  41          HD2       LYS  41   5.221   8.055 -11.908
  279   2HD   LYS  41          HD3       LYS  41   4.555   9.304 -10.844
  280   1HE   LYS  41          HE2       LYS  41   6.738   9.326  -9.569
  281   2HE   LYS  41          HE3       LYS  41   7.402   8.203 -10.770
  282   1HZ   LYS  41          HZ1       LYS  41   6.359  10.914 -11.319
  283   2HZ   LYS  41          HZ2       LYS  41   7.947  10.487 -11.303
  284   3HZ   LYS  41          HZ3       LYS  41   6.944   9.886 -12.459
  285    H    LYS  42           H        LYS  42   0.809   8.064  -7.299
  286    HA   LYS  42           HA       LYS  42   1.553  10.915  -7.367
  287   1HB   LYS  42          HB2       LYS  42   0.217  10.145  -9.484
  288   2HB   LYS  42          HB3       LYS  42  -1.187  10.098  -8.423
  289   1HG   LYS  42          HG2       LYS  42  -0.975  12.488  -7.976
  290   2HG   LYS  42          HG3       LYS  42   0.622  12.533  -8.763
  291   1HD   LYS  42          HD2       LYS  42  -0.385  11.797 -10.907
  292   2HD   LYS  42          HD3       LYS  42  -1.994  11.851 -10.203
  293   1HE   LYS  42          HE2       LYS  42  -0.089  14.255 -10.388
  294   2HE   LYS  42          HE3       LYS  42  -1.259  13.842 -11.644
  295   1HZ   LYS  42          HZ1       LYS  42  -1.975  14.480  -8.859
  296   2HZ   LYS  42          HZ2       LYS  42  -2.141  15.489 -10.150
  297   3HZ   LYS  42          HZ3       LYS  42  -3.027  14.109 -10.066
  298    H    SER  43           H        SER  43  -1.048   8.580  -6.525
  299    HA   SER  43           HA       SER  43  -1.454   9.743  -3.837
  300   1HB   SER  43          HB2       SER  43  -2.445   7.077  -4.938
  301   2HB   SER  43          HB3       SER  43  -3.092   8.014  -3.583
  302    HG   SER  43           HG       SER  43  -4.202   8.150  -5.710
  303    H    ALA  44           H        ALA  44  -0.189   6.608  -5.164
  304    HA   ALA  44           HA       ALA  44   0.485   5.709  -2.515
  305   1HB   ALA  44          HB1       ALA  44   1.154   4.592  -5.260
  306   2HB   ALA  44          HB2       ALA  44   1.540   3.796  -3.718
  307   3HB   ALA  44          HB3       ALA  44  -0.146   4.099  -4.147
  308    H    HIS  45           HN       HIS  45   2.474   6.640  -5.328
  309    HA   HIS  45           HA       HIS  45   4.902   6.619  -3.784
  310   1HB   HIS  45          HB2       HIS  45   4.078   7.375  -6.559
  311   2HB   HIS  45          HB3       HIS  45   5.497   8.190  -5.986
  312    HD1  HIS  45           HND      HIS  45   7.636   7.111  -6.529
  313    HD2  HIS  45           HD       HIS  45   4.452   4.381  -6.152
  314    HE1  HIS  45           HE       HIS  45   8.557   4.852  -7.161
  315    H    LYS  46           H        LYS  46   2.456   8.769  -3.301
  316    HA   LYS  46           HA       LYS  46   4.396  10.865  -2.353
  317   1HB   LYS  46          HB2       LYS  46   1.384  10.906  -2.747
  318   2HB   LYS  46          HB3       LYS  46   2.208  11.944  -1.578
  319   1HG   LYS  46          HG2       LYS  46   3.683  12.801  -3.438
  320   2HG   LYS  46          HG3       LYS  46   2.620  11.941  -4.579
  321   1HD   LYS  46          HD2       LYS  46   0.652  13.149  -3.593
  322   2HD   LYS  46          HD3       LYS  46   1.741  13.983  -2.466
  323   1HE   LYS  46          HE2       LYS  46   2.963  14.955  -4.465
  324   2HE   LYS  46          HE3       LYS  46   1.715  14.245  -5.505
  325   1HZ   LYS  46          HZ1       LYS  46   1.209  16.542  -4.954
  326   2HZ   LYS  46          HZ2       LYS  46   0.079  15.555  -4.273
  327   3HZ   LYS  46          HZ3       LYS  46   1.259  16.215  -3.344
  328    H    ASP  47           H        ASP  47   1.375   9.370  -1.199
  329    HA   ASP  47           HA       ASP  47   2.558   9.413   1.545
  330   1HB   ASP  47          HB2       ASP  47   1.161  11.377   0.910
  331   2HB   ASP  47          HB3       ASP  47  -0.228  10.294   0.712
  332    H    ALA  48           H        ALA  48  -0.304   8.168  -0.273
  333    HA   ALA  48           HA       ALA  48  -1.073   6.280   1.653
  334   1HB   ALA  48          HB1       ALA  48  -2.287   5.156  -0.194
  335   2HB   ALA  48          HB2       ALA  48  -2.510   6.917  -0.198
  336   3HB   ALA  48          HB3       ALA  48  -1.415   6.159  -1.370
  337    H    CYS  49           HN       CYS  49  -0.318   4.353   2.301
  338    HA   CYS  49           HA       CYS  49   0.952   2.491   2.513
  339   1HB   CYS  49          HB2       CYS  49   1.672   2.665  -0.430
  340   2HB   CYS  49          HB3       CYS  49   1.822   1.308   0.672
  341    H    LYS  50           H        LYS  50   2.914   4.674   0.371
  342    HA   LYS  50           HA       LYS  50   5.389   3.988   1.500
  343   1HB   LYS  50          HB2       LYS  50   4.377   6.633   0.404
  344   2HB   LYS  50          HB3       LYS  50   5.989   6.373   1.080
  345   1HG   LYS  50          HG2       LYS  50   6.085   4.330  -0.622
  346   2HG   LYS  50          HG3       LYS  50   4.849   5.261  -1.457
  347   1HD   LYS  50          HD2       LYS  50   7.746   5.958  -0.861
  348   2HD   LYS  50          HD3       LYS  50   6.895   5.977  -2.414
  349   1HE   LYS  50          HE2       LYS  50   5.477   7.907  -1.354
  350   2HE   LYS  50          HE3       LYS  50   6.725   7.997  -0.112
  351   1HZ   LYS  50          HZ1       LYS  50   6.950   8.594  -2.942
  352   2HZ   LYS  50          HZ2       LYS  50   7.328   9.525  -1.681
  353   3HZ   LYS  50          HZ3       LYS  50   8.322   8.253  -2.060
  354    H    THR  51           H        THR  51   3.200   6.610   2.765
  355    HA   THR  51           HA       THR  51   5.118   7.296   4.787
  356    HB   THR  51           HB       THR  51   2.223   8.097   4.438
  357    HG1  THR  51           HG1      THR  51   3.806   8.846   2.980
  358   1HG2  THR  51          HG2       THR  51   4.277   9.062   6.485
  359   2HG2  THR  51          HG2       THR  51   2.770   9.901   6.063
  360   3HG2  THR  51          HG2       THR  51   2.700   8.315   6.846
  361    H    CYS  52           HN       CYS  52   2.539   4.880   4.864
  362    HA   CYS  52           HA       CYS  52   2.835   4.187   7.692
  363   1HB   CYS  52          HB2       CYS  52   1.996   2.709   5.186
  364   2HB   CYS  52          HB3       CYS  52   2.479   1.835   6.637
  365    H    HIS  53           HN       HIS  53   4.306   2.974   4.698
  366    HA   HIS  53           HA       HIS  53   6.382   1.429   5.970
  367   1HB   HIS  53          HB2       HIS  53   5.685   2.364   3.170
  368   2HB   HIS  53          HB3       HIS  53   7.124   1.424   3.491
  369    HD1  HIS  53           HND      HIS  53   6.776  -1.054   4.666
  370    HD2  HIS  53           HD       HIS  53   3.260   0.792   3.482
  371    HE1  HIS  53           HE       HIS  53   5.321  -2.848   4.050
  372    H    LYS  54           H        LYS  54   6.455   4.204   6.890
  373    HA   LYS  54           HA       LYS  54   9.334   4.864   6.447
  374   1HB   LYS  54          HB2       LYS  54   6.950   6.675   6.168
  375   2HB   LYS  54          HB3       LYS  54   8.583   7.179   6.565
  376   1HG   LYS  54          HG2       LYS  54   9.344   5.838   4.483
  377   2HG   LYS  54          HG3       LYS  54   7.666   6.010   3.967
  378   1HD   LYS  54          HD2       LYS  54   7.939   8.494   4.747
  379   2HD   LYS  54          HD3       LYS  54   9.671   8.092   4.880
  380   1HE   LYS  54          HE2       LYS  54   9.760   7.677   2.435
  381   2HE   LYS  54          HE3       LYS  54   8.008   7.950   2.312
  382   1HZ   LYS  54          HZ1       LYS  54   9.268   9.945   1.717
  383   2HZ   LYS  54          HZ2       LYS  54   8.354  10.208   3.060
  384   3HZ   LYS  54          HZ3       LYS  54   9.971   9.972   3.202
  385    H    SER  55           H        SER  55   7.199   3.688   8.667
  386    HA   SER  55           HA       SER  55   7.308   5.756  10.695
  387   1HB   SER  55          HB2       SER  55   5.435   4.071  10.252
  388   2HB   SER  55          HB3       SER  55   6.457   2.867  11.052
  389    HG   SER  55           HG       SER  55   5.500   5.329  12.147
  390    H    ASN  56           H        ASN  56   9.830   5.456  10.093
  391    HA   ASN  56           HA       ASN  56  11.928   5.189  10.869
  392   1HB   ASN  56          HB2       ASN  56  10.919   3.585  13.234
  393   2HB   ASN  56          HB3       ASN  56  12.492   4.354  13.029
  394   1HD2  ASN  56          HD2       ASN  56   9.085   4.900  13.691
  395   2HD2  ASN  56          HD2       ASN  56   9.293   6.555  14.301
  396    H    ASN  57           H        ASN  57  13.454   3.809  10.093
  397    HA   ASN  57           HA       ASN  57  14.387   1.987   9.106
  398   1HB   ASN  57          HB2       ASN  57  12.888   0.391  11.218
  399   2HB   ASN  57          HB3       ASN  57  14.405  -0.027  10.417
  400   1HD2  ASN  57          HD2       ASN  57  12.997   1.569  13.126
  401   2HD2  ASN  57          HD2       ASN  57  14.494   2.296  13.709
  402    H    GLY  58           H        GLY  58  12.045   2.793   7.745
  403   1HA   GLY  58          HA2       GLY  58  10.393   0.545   7.005
  404   2HA   GLY  58          HA3       GLY  58  10.589   2.068   6.114
  405    HA   PRO  59           HA       PRO  59  12.609  -1.754   4.009
  406   1HB   PRO  59          HB2       PRO  59  11.220  -1.540   1.595
  407   2HB   PRO  59          HB3       PRO  59  10.744  -2.554   2.984
  408   1HG   PRO  59          HG2       PRO  59   9.760   0.230   2.318
  409   2HG   PRO  59          HG3       PRO  59   8.793  -1.206   2.768
  410   1HD   PRO  59          HD2       PRO  59   9.383   0.635   4.625
  411   2HD   PRO  59          HD3       PRO  59   9.542  -1.093   5.040
  412    H    THR  60           H        THR  60  11.765   1.464   2.708
  413    HA   THR  60           HA       THR  60  12.952   2.988   1.500
  414    HB   THR  60           HB       THR  60  15.373   1.923   3.003
  415    HG1  THR  60           HG1      THR  60  13.816   2.049   4.537
  416   1HG2  THR  60          HG2       THR  60  15.864   4.332   3.277
  417   2HG2  THR  60          HG2       THR  60  15.801   3.932   1.557
  418   3HG2  THR  60          HG2       THR  60  14.426   4.753   2.330
  419    H    LYS  61           H        LYS  61  12.597   0.591   0.010
  420    HA   LYS  61           HA       LYS  61  14.655   0.926  -2.019
  421   1HB   LYS  61          HB2       LYS  61  15.158  -0.974  -0.021
  422   2HB   LYS  61          HB3       LYS  61  14.385  -1.940  -1.255
  423   1HG   LYS  61          HG2       LYS  61  16.687  -2.090  -1.623
  424   2HG   LYS  61          HG3       LYS  61  16.113  -1.021  -2.910
  425   1HD   LYS  61          HD2       LYS  61  16.909   0.958  -1.721
  426   2HD   LYS  61          HD3       LYS  61  17.239   0.044  -0.259
  427   1HE   LYS  61          HE2       LYS  61  18.681  -0.399  -2.923
  428   2HE   LYS  61          HE3       LYS  61  19.259   0.680  -1.646
  429   1HZ   LYS  61          HZ1       LYS  61  20.298  -1.462  -1.462
  430   2HZ   LYS  61          HZ2       LYS  61  19.344  -1.199  -0.150
  431   3HZ   LYS  61          HZ3       LYS  61  18.848  -2.225  -1.333
  432    H    CYS  62           HN       CYS  62  13.948   0.321  -4.003
  433    HA   CYS  62           HA       CYS  62  11.190   0.110  -4.530
  434   1HB   CYS  62          HB2       CYS  62  13.321  -0.958  -6.381
  435   2HB   CYS  62          HB3       CYS  62  11.764  -0.238  -6.797
  436    H    GLY  63           H        GLY  63  13.624  -2.455  -4.555
  437   1HA   GLY  63          HA2       GLY  63  12.216  -4.731  -5.183
  438   2HA   GLY  63          HA3       GLY  63  13.553  -4.664  -4.043
  439    H    GLY  64           H        GLY  64  12.003  -2.938  -2.098
  440   1HA   GLY  64          HA2       GLY  64  10.841  -5.022  -0.489
  441   2HA   GLY  64          HA3       GLY  64  10.720  -3.276  -0.226
  442    H    CYS  65           HN       CYS  65   9.558  -2.935  -3.007
  443    HA   CYS  65           HA       CYS  65   6.751  -3.885  -2.468
  444   1HB   CYS  65          HB2       CYS  65   7.806  -1.354  -3.741
  445   2HB   CYS  65          HB3       CYS  65   6.127  -1.891  -3.832
  446    H    HIS  66           HN       HIS  66   8.933  -2.903  -5.152
  447    HA   HIS  66           HA       HIS  66   7.225  -4.312  -7.077
  448   1HB   HIS  66          HB2       HIS  66   9.740  -2.641  -7.348
  449   2HB   HIS  66          HB3       HIS  66   8.864  -3.316  -8.697
  450    HD1  HIS  66           HND      HIS  66   6.511  -2.329  -9.297
  451    HD2  HIS  66           HD       HIS  66   8.730  -0.375  -6.338
  452    HE1  HIS  66           HE       HIS  66   5.573   0.055  -9.135
  453    H    ILE  67           H        ILE  67   7.592  -6.453  -7.685
  454    HA   ILE  67           HA       ILE  67   9.858  -7.959  -6.878
  455    HB   ILE  67           HB       ILE  67   8.140  -8.465  -9.337
  456   1HG1  ILE  67          HG1       ILE  67   7.806  -9.123  -6.387
  457   2HG1  ILE  67          HG1       ILE  67   6.677  -8.321  -7.491
  458   1HG2  ILE  67          HG2       ILE  67  10.288  -9.752  -9.301
  459   2HG2  ILE  67          HG2       ILE  67   9.879 -10.352  -7.681
  460   3HG2  ILE  67          HG2       ILE  67   8.896 -10.795  -9.095
  461   1HD1  ILE  67          HD1       ILE  67   5.825 -10.501  -7.075
  462   2HD1  ILE  67          HD1       ILE  67   6.451 -10.514  -8.736
  463   3HD1  ILE  67          HD1       ILE  67   7.378 -11.272  -7.420
  464    H    LYS  68           H        LYS  68  11.969  -7.960  -7.477
  465    HA   LYS  68           HA       LYS  68  12.921  -7.233 -10.100
  466   1HB   LYS  68          HB2       LYS  68  12.722  -5.295  -7.872
  467   2HB   LYS  68          HB3       LYS  68  14.388  -5.520  -8.335
  468   1HG   LYS  68          HG2       LYS  68  12.123  -4.881 -10.260
  469   2HG   LYS  68          HG3       LYS  68  13.144  -3.661  -9.510
  470   1HD   LYS  68          HD2       LYS  68  14.051  -5.801 -11.505
  471   2HD   LYS  68          HD3       LYS  68  13.890  -4.071 -11.766
  472   1HE   LYS  68          HE2       LYS  68  16.140  -4.076 -11.389
  473   2HE   LYS  68          HE3       LYS  68  15.617  -3.923  -9.710
  474   1HZ   LYS  68          HZ1       LYS  68  16.398  -6.427 -11.100
  475   2HZ   LYS  68          HZ2       LYS  68  17.234  -5.686  -9.892
  476   3HZ   LYS  68          HZ3       LYS  68  15.797  -6.421  -9.615
  477    HHA  HEC 130           HCM      HEC  30 -10.939  -0.413  -3.044
  478    HHB  HEC 130           HDM      HEC  30 -13.774  -2.974   1.918
  479    HHC  HEC 130           HAM      HEC  30  -8.214  -3.559   4.744
  480    HHD  HEC 130           HBM      HEC  30  -5.775  -0.008   0.327
  481   1HMA  HEC 130          HM8       HEC  30 -15.539  -2.054  -1.270
  482   2HMA  HEC 130          HM8       HEC  30 -15.239  -3.110   0.109
  483   3HMA  HEC 130          HM8       HEC  30 -15.462  -1.354   0.348
  484   1HAA  HEC 130          HP7       HEC  30 -13.028   0.183  -3.063
  485   2HAA  HEC 130          HP7       HEC  30 -14.524  -0.079  -2.191
  486   1HBA  HEC 130          HP7       HEC  30 -14.838  -2.211  -3.461
  487   2HBA  HEC 130          HP7       HEC  30 -13.334  -1.864  -4.332
  488   1HMB  HEC 130          HM1       HEC  30 -13.934  -4.756   3.608
  489   2HMB  HEC 130          HM1       HEC  30 -13.405  -4.550   5.278
  490   3HMB  HEC 130          HM1       HEC  30 -14.083  -3.176   4.418
  491    HAB  HEC 130           HT2      HEC  30  -9.594  -4.465   6.030
  492   1HBB  HEC 130          HT2       HEC  30 -10.793  -6.568   6.568
  493   2HBB  HEC 130          HT2       HEC  30 -11.929  -6.258   5.258
  494   3HBB  HEC 130          HT2       HEC  30 -10.221  -6.531   4.885
  495   1HMC  HEC 130          HM3       HEC  30  -4.544  -2.723   4.415
  496   2HMC  HEC 130          HM3       HEC  30  -5.927  -2.610   5.517
  497   3HMC  HEC 130          HM3       HEC  30  -5.740  -4.016   4.421
  498    HAC  HEC 130           HT4      HEC  30  -4.784   0.472   2.071
  499   1HBC  HEC 130          HT4       HEC  30  -3.432  -1.305   1.282
  500   2HBC  HEC 130          HT4       HEC  30  -2.580  -0.316   2.470
  501   3HBC  HEC 130          HT4       HEC  30  -3.159  -1.924   2.933
  502   1HMD  HEC 130          HM5       HEC  30  -5.134   0.186  -1.818
  503   2HMD  HEC 130          HM5       HEC  30  -5.913   1.076  -3.139
  504   3HMD  HEC 130          HM5       HEC  30  -5.793   1.812  -1.527
  505   1HAD  HEC 130          HP6       HEC  30  -7.979   1.658  -3.975
  506   2HAD  HEC 130          HP6       HEC  30  -9.523   0.890  -4.213
  507   1HBD  HEC 130          HP6       HEC  30  -8.438  -1.182  -4.951
  508   2HBD  HEC 130          HP6       HEC  30  -6.861  -0.474  -4.634
  509    HHA  HEC 153           HCM      HEC  53   4.913  -5.646   5.313
  510    HHB  HEC 153           HDM      HEC  53   2.771  -4.078  -0.297
  511    HHC  HEC 153           HAM      HEC  53  -0.466   0.626   2.294
  512    HHD  HEC 153           HBM      HEC  53   1.749  -0.921   7.863
  513   1HMA  HEC 153          HM8       HEC  53   5.072  -5.663  -0.388
  514   2HMA  HEC 153          HM8       HEC  53   4.668  -7.218   0.380
  515   3HMA  HEC 153          HM8       HEC  53   3.390  -6.281  -0.373
  516   1HAA  HEC 153          HP7       HEC  53   6.167  -6.711   3.788
  517   2HAA  HEC 153          HP7       HEC  53   5.934  -7.386   2.197
  518   1HBA  HEC 153          HP7       HEC  53   3.981  -8.625   2.889
  519   2HBA  HEC 153          HP7       HEC  53   3.930  -7.786   4.441
  520   1HMB  HEC 153          HM1       HEC  53   1.708  -1.224  -2.282
  521   2HMB  HEC 153          HM1       HEC  53   2.261  -2.835  -1.926
  522   3HMB  HEC 153          HM1       HEC  53   0.537  -2.559  -2.163
  523    HAB  HEC 153           HT2      HEC  53  -1.461  -0.318  -0.296
  524   1HBB  HEC 153          HT2       HEC  53  -0.461  -0.644  -2.499
  525   2HBB  HEC 153          HT2       HEC  53  -1.056   0.990  -2.317
  526   3HBB  HEC 153          HT2       HEC  53   0.675   0.709  -2.195
  527   1HMC  HEC 153          HM3       HEC  53  -0.706   2.655   4.127
  528   2HMC  HEC 153          HM3       HEC  53  -1.987   1.460   3.806
  529   3HMC  HEC 153          HM3       HEC  53  -1.772   2.116   5.413
  530    HAC  HEC 153           HT4      HEC  53   0.887   0.998   8.081
  531   1HBC  HEC 153          HT4       HEC  53  -2.052   1.322   7.422
  532   2HBC  HEC 153          HT4       HEC  53  -1.283   0.181   8.551
  533   3HBC  HEC 153          HT4       HEC  53  -1.248   1.914   8.880
  534   1HMD  HEC 153          HM5       HEC  53   3.983  -3.188   9.803
  535   2HMD  HEC 153          HM5       HEC  53   3.845  -1.501   9.290
  536   3HMD  HEC 153          HM5       HEC  53   2.382  -2.478   9.579
  537   1HAD  HEC 153          HP6       HEC  53   5.815  -5.316   7.249
  538   2HAD  HEC 153          HP6       HEC  53   5.310  -4.710   8.810
  539   1HBD  HEC 153          HP6       HEC  53   7.499  -3.829   8.213
  540   2HBD  HEC 153          HP6       HEC  53   6.325  -2.516   8.310
  541    HHA  HEC 166           HCM      HEC  66   3.532   2.641 -10.122
  542    HHB  HEC 166           HDM      HEC  66   9.770   2.812 -10.305
  543    HHC  HEC 166           HAM      HEC  66   9.928   2.267  -4.079
  544    HHD  HEC 166           HBM      HEC  66   3.938   0.600  -4.257
  545   1HMA  HEC 166          HM8       HEC  66   8.644   2.607 -12.741
  546   2HMA  HEC 166          HM8       HEC  66   7.618   3.980 -13.126
  547   3HMA  HEC 166          HM8       HEC  66   8.986   4.207 -12.034
  548   1HAA  HEC 166          HP7       HEC  66   5.435   3.723 -13.149
  549   2HAA  HEC 166          HP7       HEC  66   4.053   3.494 -12.090
  550   1HBA  HEC 166          HP7       HEC  66   4.053   1.635 -13.634
  551   2HBA  HEC 166          HP7       HEC  66   4.551   1.035 -12.055
  552   1HMB  HEC 166          HM1       HEC  66  11.848   3.769  -9.439
  553   2HMB  HEC 166          HM1       HEC  66  12.965   2.914  -8.380
  554   3HMB  HEC 166          HM1       HEC  66  12.069   2.009  -9.596
  555    HAB  HEC 166           HT2      HEC  66  11.942   2.320  -4.657
  556   1HBB  HEC 166          HT2       HEC  66  13.669   3.967  -4.974
  557   2HBB  HEC 166          HT2       HEC  66  13.105   4.319  -6.613
  558   3HBB  HEC 166          HT2       HEC  66  12.073   4.699  -5.222
  559   1HMC  HEC 166          HM3       HEC  66   9.088   2.375  -1.842
  560   2HMC  HEC 166          HM3       HEC  66   8.071   1.157  -1.069
  561   3HMC  HEC 166          HM3       HEC  66   9.336   0.639  -2.177
  562    HAC  HEC 166           HT4      HEC  66   4.753  -0.292  -2.544
  563   1HBC  HEC 166          HT4       HEC  66   4.652   0.316  -0.219
  564   2HBC  HEC 166          HT4       HEC  66   5.992   1.453  -0.388
  565   3HBC  HEC 166          HT4       HEC  66   4.457   1.766  -1.221
  566   1HMD  HEC 166          HM5       HEC  66   2.073  -0.299  -5.106
  567   2HMD  HEC 166          HM5       HEC  66   1.136   1.217  -5.222
  568   3HMD  HEC 166          HM5       HEC  66   1.034  -0.021  -6.492
  569   1HAD  HEC 166          HP6       HEC  66   1.326   2.587  -9.157
  570   2HAD  HEC 166          HP6       HEC  66   0.546   1.550  -8.021
  571   1HBD  HEC 166          HP6       HEC  66   0.632  -0.187  -9.371
  572   2HBD  HEC 166          HP6       HEC  66   2.331   0.090  -9.797
  Start of MODEL   13
    1   1H    ALA   1          H1        ALA   1  -7.203 -12.902  -3.950
    2   2H    ALA   1          H2        ALA   1  -7.928 -12.178  -5.238
    3   3H    ALA   1          H3        ALA   1  -6.810 -11.358  -4.336
    4    HA   ALA   1           HA       ALA   1  -9.115 -10.675  -3.893
    5   1HB   ALA   1          HB1       ALA   1  -9.329 -13.527  -2.824
    6   2HB   ALA   1          HB2       ALA   1 -10.513 -12.232  -2.551
    7   3HB   ALA   1          HB3       ALA   1 -10.210 -12.826  -4.193
    8    H    ASP   2           H        ASP   2  -8.078 -12.936  -1.261
    9    HA   ASP   2           HA       ASP   2  -7.536 -11.261   0.770
   10   1HB   ASP   2          HB2       ASP   2  -5.853 -13.624  -0.222
   11   2HB   ASP   2          HB3       ASP   2  -5.922 -13.054   1.441
   12    H    VAL   3           H        VAL   3  -5.195 -12.124  -1.760
   13    HA   VAL   3           HA       VAL   3  -3.746  -9.532  -1.413
   14    HB   VAL   3           HB       VAL   3  -2.948 -12.080  -2.875
   15   1HG1  VAL   3          HG1       VAL   3  -1.994 -10.162  -4.043
   16   2HG1  VAL   3          HG1       VAL   3  -1.509  -9.422  -2.502
   17   3HG1  VAL   3          HG1       VAL   3  -0.729 -10.917  -3.069
   18   1HG2  VAL   3          HG2       VAL   3  -2.803 -12.319  -0.413
   19   2HG2  VAL   3          HG2       VAL   3  -1.190 -12.209  -1.123
   20   3HG2  VAL   3          HG2       VAL   3  -1.892 -10.797  -0.312
   21    H    VAL   4           H        VAL   4  -3.815  -8.036  -2.997
   22    HA   VAL   4           HA       VAL   4  -5.019  -8.696  -5.668
   23    HB   VAL   4           HB       VAL   4  -5.119  -6.086  -4.109
   24   1HG1  VAL   4          HG1       VAL   4  -6.528  -5.286  -5.989
   25   2HG1  VAL   4          HG1       VAL   4  -4.883  -5.634  -6.524
   26   3HG1  VAL   4          HG1       VAL   4  -6.190  -6.785  -6.879
   27   1HG2  VAL   4          HG2       VAL   4  -7.304  -8.058  -4.886
   28   2HG2  VAL   4          HG2       VAL   4  -6.728  -7.710  -3.241
   29   3HG2  VAL   4          HG2       VAL   4  -7.569  -6.459  -4.162
   30    H    THR   5           H        THR   5  -3.405  -8.872  -7.122
   31    HA   THR   5           HA       THR   5  -0.858  -7.371  -6.729
   32    HB   THR   5           HB       THR   5  -1.535  -9.949  -8.164
   33    HG1  THR   5           HG1      THR   5   0.323  -9.438  -6.081
   34   1HG2  THR   5          HG2       THR   5   1.153  -8.545  -7.893
   35   2HG2  THR   5          HG2       THR   5   0.888 -10.191  -8.511
   36   3HG2  THR   5          HG2       THR   5   0.257  -8.811  -9.419
   37    H    TYR   6           H        TYR   6  -0.278  -5.807  -8.040
   38    HA   TYR   6           HA       TYR   6  -2.196  -4.893  -9.963
   39   1HB   TYR   6          HB2       TYR   6  -0.159  -3.733  -8.263
   40   2HB   TYR   6          HB3       TYR   6   0.113  -3.136  -9.866
   41    HD1  TYR   6           HD1      TYR   6  -2.805  -4.114  -7.671
   42    HD2  TYR   6           HD2      TYR   6  -1.204  -1.128 -10.318
   43    HE1  TYR   6           HE1      TYR   6  -4.760  -2.652  -7.211
   44    HE2  TYR   6           HE2      TYR   6  -3.067   0.406  -9.715
   45    HH   TYR   6           HH       TYR   6  -5.818  -0.662  -7.730
   46    H    GLU   7           H        GLU   7   1.152  -5.915 -10.444
   47    HA   GLU   7           HA       GLU   7   2.299  -6.486 -12.296
   48   1HB   GLU   7          HB2       GLU   7  -0.368  -6.848 -13.684
   49   2HB   GLU   7          HB3       GLU   7   1.179  -7.638 -14.020
   50   1HG   GLU   7          HG2       GLU   7   0.907  -8.273 -11.429
   51   2HG   GLU   7          HG3       GLU   7  -0.805  -8.097 -11.789
   52    H    ASN   8           H        ASN   8   3.385  -4.539 -12.559
   53    HA   ASN   8           HA       ASN   8   2.629  -2.923 -14.943
   54   1HB   ASN   8          HB2       ASN   8   3.421  -0.949 -13.720
   55   2HB   ASN   8          HB3       ASN   8   2.084  -1.692 -12.880
   56   1HD2  ASN   8          HD2       ASN   8   2.459  -2.815 -10.870
   57   2HD2  ASN   8          HD2       ASN   8   4.083  -2.855 -10.135
   58    H    ALA   9           H        ALA   9   4.841  -1.556 -15.404
   59    HA   ALA   9           HA       ALA   9   6.552  -3.724 -16.439
   60   1HB   ALA   9          HB1       ALA   9   5.856  -1.856 -17.893
   61   2HB   ALA   9          HB2       ALA   9   6.667  -0.703 -16.811
   62   3HB   ALA   9          HB3       ALA   9   7.621  -1.916 -17.692
   63    H    ALA  10           H        ALA  10   6.538  -1.230 -13.962
   64    HA   ALA  10           HA       ALA  10   9.365  -1.584 -13.253
   65   1HB   ALA  10          HB1       ALA  10   8.879  -0.083 -11.406
   66   2HB   ALA  10          HB2       ALA  10   8.202   0.541 -12.923
   67   3HB   ALA  10          HB3       ALA  10   7.138  -0.199 -11.715
   68    H    GLY  11           H        GLY  11   6.737  -3.654 -12.804
   69   1HA   GLY  11          HA2       GLY  11   7.317  -5.808 -11.848
   70   2HA   GLY  11          HA3       GLY  11   8.101  -5.012 -10.488
   71    H    ASN  12           H        ASN  12   5.687  -6.933 -10.836
   72    HA   ASN  12           HA       ASN  12   3.347  -5.644  -9.902
   73   1HB   ASN  12          HB2       ASN  12   3.981  -8.358  -8.821
   74   2HB   ASN  12          HB3       ASN  12   2.474  -7.580  -9.381
   75   1HD2  ASN  12          HD2       ASN  12   2.495  -9.989 -10.177
   76   2HD2  ASN  12          HD2       ASN  12   2.693  -9.967 -11.910
   77    H    VAL  13           H        VAL  13   2.546  -5.213  -7.871
   78    HA   VAL  13           HA       VAL  13   4.656  -4.840  -5.807
   79    HB   VAL  13           HB       VAL  13   4.171  -2.808  -6.741
   80   1HG1  VAL  13          HG1       VAL  13   2.127  -3.229  -7.980
   81   2HG1  VAL  13          HG1       VAL  13   1.211  -3.434  -6.459
   82   3HG1  VAL  13          HG1       VAL  13   1.879  -1.853  -6.926
   83   1HG2  VAL  13          HG2       VAL  13   4.123  -2.997  -4.188
   84   2HG2  VAL  13          HG2       VAL  13   3.413  -1.540  -4.890
   85   3HG2  VAL  13          HG2       VAL  13   2.355  -2.853  -4.326
   86    H    THR  14           H        THR  14   1.415  -6.135  -6.120
   87    HA   THR  14           HA       THR  14   0.141  -7.295  -4.670
   88    HB   THR  14           HB       THR  14   2.896  -7.982  -3.877
   89    HG1  THR  14           HG1      THR  14   0.731  -9.700  -4.061
   90   1HG2  THR  14          HG2       THR  14   0.582  -8.634  -2.000
   91   2HG2  THR  14          HG2       THR  14   2.078  -9.576  -2.130
   92   3HG2  THR  14          HG2       THR  14   2.145  -7.904  -1.591
   93    H    PHE  15           H        PHE  15  -1.291  -5.910  -4.049
   94    HA   PHE  15           HA       PHE  15  -1.026  -4.396  -1.500
   95   1HB   PHE  15          HB2       PHE  15  -3.347  -4.926  -3.389
   96   2HB   PHE  15          HB3       PHE  15  -3.441  -3.949  -1.934
   97    HD1  PHE  15           HD1      PHE  15  -0.381  -3.333  -3.889
   98    HD2  PHE  15           HD2      PHE  15  -4.611  -2.511  -3.627
   99    HE1  PHE  15           HE1      PHE  15  -0.169  -1.617  -5.634
  100    HE2  PHE  15           HE2      PHE  15  -4.371  -0.778  -5.362
  101    HZ   PHE  15           HZ       PHE  15  -2.160  -0.375  -6.411
  102    H    ASP  16           H        ASP  16  -1.002  -5.855   0.308
  103    HA   ASP  16           HA       ASP  16  -2.668  -8.269   0.260
  104   1HB   ASP  16          HB2       ASP  16  -1.485  -6.856   2.636
  105   2HB   ASP  16          HB3       ASP  16  -2.068  -8.531   2.528
  106    H    HIS  17           HN       HIS  17  -4.894  -8.007   0.268
  107    HA   HIS  17           HA       HIS  17  -6.044  -5.637   1.592
  108   1HB   HIS  17          HB2       HIS  17  -6.851  -7.235  -0.547
  109   2HB   HIS  17          HB3       HIS  17  -7.923  -7.758   0.724
  110    HD1  HIS  17           HND      HIS  17  -8.376  -5.671  -1.943
  111    HD2  HIS  17           HD       HIS  17  -8.134  -4.772   2.140
  112    HE1  HIS  17           HE       HIS  17  -9.249  -3.309  -1.681
  113    H    LYS  18           H        LYS  18  -5.697  -9.086   1.988
  114    HA   LYS  18           HA       LYS  18  -6.902  -9.267   4.631
  115   1HB   LYS  18          HB2       LYS  18  -5.773 -11.008   2.539
  116   2HB   LYS  18          HB3       LYS  18  -5.288 -11.529   4.115
  117   1HG   LYS  18          HG2       LYS  18  -8.216 -10.865   3.571
  118   2HG   LYS  18          HG3       LYS  18  -7.496 -12.375   3.042
  119   1HD   LYS  18          HD2       LYS  18  -6.601 -12.631   5.480
  120   2HD   LYS  18          HD3       LYS  18  -7.757 -11.370   5.900
  121   1HE   LYS  18          HE2       LYS  18  -8.763 -13.495   6.336
  122   2HE   LYS  18          HE3       LYS  18  -9.576 -12.856   4.892
  123   1HZ   LYS  18          HZ1       LYS  18  -8.917 -15.203   4.660
  124   2HZ   LYS  18          HZ2       LYS  18  -8.140 -14.299   3.542
  125   3HZ   LYS  18          HZ3       LYS  18  -7.338 -14.793   4.881
  126    H    ALA  19           H        ALA  19  -3.479 -10.045   3.690
  127    HA   ALA  19           HA       ALA  19  -2.801 -10.474   6.333
  128   1HB   ALA  19          HB1       ALA  19  -1.552 -11.330   4.383
  129   2HB   ALA  19          HB2       ALA  19  -0.868  -9.711   4.111
  130   3HB   ALA  19          HB3       ALA  19  -0.494 -10.593   5.601
  131    H    HIS  20           HN       HIS  20  -2.112  -7.508   4.460
  132    HA   HIS  20           HA       HIS  20  -0.964  -5.997   6.553
  133   1HB   HIS  20          HB2       HIS  20  -2.477  -5.296   4.052
  134   2HB   HIS  20          HB3       HIS  20  -2.261  -4.059   5.262
  135    HD1  HIS  20           HND      HIS  20   0.340  -6.494   3.522
  136    HD2  HIS  20           HD       HIS  20  -0.359  -2.504   4.730
  137    HE1  HIS  20           HE       HIS  20   2.368  -5.213   2.917
  138    H    ALA  21           H        ALA  21  -4.471  -6.401   5.715
  139    HA   ALA  21           HA       ALA  21  -5.427  -4.651   7.756
  140   1HB   ALA  21          HB1       ALA  21  -7.599  -5.656   7.361
  141   2HB   ALA  21          HB2       ALA  21  -6.784  -5.321   5.825
  142   3HB   ALA  21          HB3       ALA  21  -6.870  -6.983   6.443
  143    H    GLU  22           H        GLU  22  -4.876  -8.187   7.760
  144    HA   GLU  22           HA       GLU  22  -5.937  -8.734  10.320
  145   1HB   GLU  22          HB2       GLU  22  -3.838 -10.107   8.627
  146   2HB   GLU  22          HB3       GLU  22  -4.421 -10.782  10.160
  147   1HG   GLU  22          HG2       GLU  22  -6.677 -10.807   9.271
  148   2HG   GLU  22          HG3       GLU  22  -6.168 -10.001   7.782
  149    H    LYS  23           H        LYS  23  -2.617  -7.546   9.471
  150    HA   LYS  23           HA       LYS  23  -1.845  -7.371  12.248
  151   1HB   LYS  23          HB2       LYS  23  -0.423  -7.491  10.045
  152   2HB   LYS  23          HB3       LYS  23  -0.657  -5.755   9.956
  153   1HG   LYS  23          HG2       LYS  23   0.191  -5.556  12.289
  154   2HG   LYS  23          HG3       LYS  23   0.397  -7.322  12.316
  155   1HD   LYS  23          HD2       LYS  23   2.083  -7.191  10.525
  156   2HD   LYS  23          HD3       LYS  23   1.878  -5.431  10.418
  157   1HE   LYS  23          HE2       LYS  23   2.685  -5.124  12.711
  158   2HE   LYS  23          HE3       LYS  23   2.706  -6.872  12.985
  159   1HZ   LYS  23          HZ1       LYS  23   4.464  -7.026  11.292
  160   2HZ   LYS  23          HZ2       LYS  23   4.517  -5.406  11.130
  161   3HZ   LYS  23          HZ3       LYS  23   4.918  -6.061  12.536
  162    H    LEU  24           H        LEU  24  -3.240  -5.185   9.858
  163    HA   LEU  24           HA       LEU  24  -3.057  -2.789  11.599
  164   1HB   LEU  24          HB2       LEU  24  -3.613  -3.099   8.653
  165   2HB   LEU  24          HB3       LEU  24  -3.411  -1.617   9.580
  166    HG   LEU  24           HG       LEU  24  -1.216  -3.678   9.301
  167   1HD1  LEU  24          HD1       LEU  24  -1.902  -2.792   7.112
  168   2HD1  LEU  24          HD1       LEU  24  -1.733  -1.137   7.715
  169   3HD1  LEU  24          HD1       LEU  24  -0.308  -2.200   7.586
  170   1HD2  LEU  24          HD2       LEU  24  -0.901  -2.198  11.240
  171   2HD2  LEU  24          HD2       LEU  24   0.223  -1.753   9.952
  172   3HD2  LEU  24          HD2       LEU  24  -1.228  -0.771  10.231
  173    H    GLY  25           H        GLY  25  -5.530  -3.054   9.113
  174   1HA   GLY  25          HA2       GLY  25  -7.730  -4.033  10.353
  175   2HA   GLY  25          HA3       GLY  25  -7.660  -2.328  10.853
  176    H    CYS  26           HN       CYS  26  -9.387  -1.756   9.549
  177    HA   CYS  26           HA       CYS  26  -8.935  -1.657   6.555
  178   1HB   CYS  26          HB2       CYS  26 -11.548  -1.043   7.936
  179   2HB   CYS  26          HB3       CYS  26 -11.204  -1.225   6.208
  180    H    ASP  27           H        ASP  27 -10.091   0.086   9.299
  181    HA   ASP  27           HA       ASP  27  -9.981   2.785   9.057
  182   1HB   ASP  27          HB2       ASP  27  -8.921   2.423  11.418
  183   2HB   ASP  27          HB3       ASP  27 -10.506   1.704  11.087
  184    H    ALA  28           H        ALA  28  -7.143   0.850   9.960
  185    HA   ALA  28           HA       ALA  28  -5.035   2.362   9.679
  186   1HB   ALA  28          HB1       ALA  28  -3.852   0.300   8.878
  187   2HB   ALA  28          HB2       ALA  28  -4.933  -0.019  10.255
  188   3HB   ALA  28          HB3       ALA  28  -5.457  -0.451   8.620
  189    H    CYS  29           HN       CYS  29  -6.826   1.310   6.785
  190    HA   CYS  29           HA       CYS  29  -4.900   2.773   4.986
  191   1HB   CYS  29          HB2       CYS  29  -6.499   0.240   4.595
  192   2HB   CYS  29          HB3       CYS  29  -5.819   1.187   3.268
  193    H    HIS  30           HN       HIS  30  -7.926   3.055   6.395
  194    HA   HIS  30           HA       HIS  30  -9.151   4.387   4.032
  195   1HB   HIS  30          HB2       HIS  30 -10.185   1.927   5.509
  196   2HB   HIS  30          HB3       HIS  30 -11.170   2.930   4.489
  197    HD1  HIS  30           HND      HIS  30  -9.614   3.217   1.922
  198    HD2  HIS  30           HD       HIS  30  -9.726  -0.278   4.192
  199    HE1  HIS  30           HE       HIS  30  -9.366   1.262   0.264
  200    H    GLU  31           H        GLU  31 -10.037   6.219   4.642
  201    HA   GLU  31           HA       GLU  31 -10.204   7.018   7.318
  202   1HB   GLU  31          HB2       GLU  31 -11.486   8.339   4.891
  203   2HB   GLU  31          HB3       GLU  31 -11.029   9.093   6.421
  204   1HG   GLU  31          HG2       GLU  31  -9.184   9.690   5.219
  205   2HG   GLU  31          HG3       GLU  31  -8.589   8.110   5.727
  206    H    GLY  32           H        GLY  32 -11.604   5.095   7.993
  207   1HA   GLY  32          HA2       GLY  32 -13.542   4.521   9.145
  208   2HA   GLY  32          HA3       GLY  32 -14.315   6.027   8.635
  209    H    THR  33           H        THR  33 -14.531   6.017   6.046
  210    HA   THR  33           HA       THR  33 -16.269   3.712   5.382
  211    HB   THR  33           HB       THR  33 -15.758   6.300   3.884
  212    HG1  THR  33           HG1      THR  33 -16.873   6.379   5.947
  213   1HG2  THR  33          HG2       THR  33 -16.541   4.518   2.339
  214   2HG2  THR  33          HG2       THR  33 -17.839   4.097   3.482
  215   3HG2  THR  33          HG2       THR  33 -17.839   5.674   2.674
  216    HA   PRO  34           HA       PRO  34 -12.622   2.228   3.009
  217   1HB   PRO  34          HB2       PRO  34 -13.451  -0.255   2.416
  218   2HB   PRO  34          HB3       PRO  34 -12.928   0.177   4.069
  219   1HG   PRO  34          HG2       PRO  34 -15.764   0.050   2.990
  220   2HG   PRO  34          HG3       PRO  34 -15.140  -0.686   4.496
  221   1HD   PRO  34          HD2       PRO  34 -16.423   1.714   4.454
  222   2HD   PRO  34          HD3       PRO  34 -15.064   1.414   5.581
  223    H    ALA  35           H        ALA  35 -12.189   2.247   0.820
  224    HA   ALA  35           HA       ALA  35 -14.280   2.094  -1.198
  225   1HB   ALA  35          HB1       ALA  35 -13.043   4.791  -0.486
  226   2HB   ALA  35          HB2       ALA  35 -14.096   4.473  -1.881
  227   3HB   ALA  35          HB3       ALA  35 -14.740   4.333  -0.239
  228    H    LYS  36           H        LYS  36 -13.355   2.776  -3.380
  229    HA   LYS  36           HA       LYS  36 -10.714   1.572  -3.659
  230   1HB   LYS  36          HB2       LYS  36 -10.989   2.000  -6.074
  231   2HB   LYS  36          HB3       LYS  36 -12.002   0.786  -5.329
  232   1HG   LYS  36          HG2       LYS  36 -13.127   3.574  -5.518
  233   2HG   LYS  36          HG3       LYS  36 -12.953   2.643  -7.018
  234   1HD   LYS  36          HD2       LYS  36 -14.188   0.742  -6.055
  235   2HD   LYS  36          HD3       LYS  36 -14.371   1.570  -4.523
  236   1HE   LYS  36          HE2       LYS  36 -16.435   1.816  -5.509
  237   2HE   LYS  36          HE3       LYS  36 -15.674   3.390  -5.806
  238   1HZ   LYS  36          HZ1       LYS  36 -15.103   2.548  -8.026
  239   2HZ   LYS  36          HZ2       LYS  36 -15.817   1.105  -7.676
  240   3HZ   LYS  36          HZ3       LYS  36 -16.734   2.470  -7.790
  241    H    ILE  37           H        ILE  37  -9.355   2.895  -2.642
  242    HA   ILE  37           HA       ILE  37  -8.802   5.648  -3.377
  243    HB   ILE  37           HB       ILE  37  -7.029   3.463  -2.207
  244   1HG1  ILE  37          HG1       ILE  37  -8.395   5.805  -0.799
  245   2HG1  ILE  37          HG1       ILE  37  -9.077   4.176  -0.846
  246   1HG2  ILE  37          HG2       ILE  37  -5.683   5.267  -3.286
  247   2HG2  ILE  37          HG2       ILE  37  -6.579   6.483  -2.358
  248   3HG2  ILE  37          HG2       ILE  37  -5.517   5.320  -1.540
  249   1HD1  ILE  37          HD1       ILE  37  -7.082   3.261   0.279
  250   2HD1  ILE  37          HD1       ILE  37  -6.419   4.906   0.432
  251   3HD1  ILE  37          HD1       ILE  37  -7.931   4.491   1.238
  252    H    ALA  38           H        ALA  38  -8.096   6.287  -5.400
  253    HA   ALA  38           HA       ALA  38  -7.242   4.346  -7.361
  254   1HB   ALA  38          HB1       ALA  38  -6.879   6.250  -8.809
  255   2HB   ALA  38          HB2       ALA  38  -8.459   6.360  -8.001
  256   3HB   ALA  38          HB3       ALA  38  -7.103   7.378  -7.449
  257    H    ILE  39           H        ILE  39  -5.390   3.359  -7.356
  258    HA   ILE  39           HA       ILE  39  -2.923   4.651  -6.323
  259    HB   ILE  39           HB       ILE  39  -3.527   1.755  -6.920
  260   1HG1  ILE  39          HG1       ILE  39  -4.854   2.584  -5.015
  261   2HG1  ILE  39          HG1       ILE  39  -3.656   1.425  -4.542
  262   1HG2  ILE  39          HG2       ILE  39  -1.394   1.548  -5.445
  263   2HG2  ILE  39          HG2       ILE  39  -1.201   2.029  -7.145
  264   3HG2  ILE  39          HG2       ILE  39  -1.115   3.244  -5.849
  265   1HD1  ILE  39          HD1       ILE  39  -3.440   4.441  -4.146
  266   2HD1  ILE  39          HD1       ILE  39  -3.772   3.223  -2.910
  267   3HD1  ILE  39          HD1       ILE  39  -2.186   3.262  -3.692
  268    H    ASP  40           H        ASP  40  -1.411   5.339  -7.621
  269    HA   ASP  40           HA       ASP  40  -0.767   4.160 -10.212
  270   1HB   ASP  40          HB2       ASP  40  -2.526   6.013 -10.587
  271   2HB   ASP  40          HB3       ASP  40  -1.367   7.173  -9.945
  272    H    LYS  41           H        LYS  41   1.180   5.896 -10.880
  273    HA   LYS  41           HA       LYS  41   3.190   5.721  -8.731
  274   1HB   LYS  41          HB2       LYS  41   4.670   6.896 -10.515
  275   2HB   LYS  41          HB3       LYS  41   4.056   5.281 -10.903
  276   1HG   LYS  41          HG2       LYS  41   2.476   6.029 -12.324
  277   2HG   LYS  41          HG3       LYS  41   2.415   7.685 -11.604
  278   1HD   LYS  41          HD2       LYS  41   4.647   8.116 -12.701
  279   2HD   LYS  41          HD3       LYS  41   4.418   6.596 -13.590
  280   1HE   LYS  41          HE2       LYS  41   2.696   9.124 -13.600
  281   2HE   LYS  41          HE3       LYS  41   3.460   8.338 -14.986
  282   1HZ   LYS  41          HZ1       LYS  41   1.068   7.897 -14.911
  283   2HZ   LYS  41          HZ2       LYS  41   1.869   6.488 -14.647
  284   3HZ   LYS  41          HZ3       LYS  41   1.146   7.263 -13.401
  285    H    LYS  42           H        LYS  42   0.761   7.559  -8.538
  286    HA   LYS  42           HA       LYS  42   2.181  10.066  -7.755
  287   1HB   LYS  42          HB2       LYS  42   0.483  10.355  -9.505
  288   2HB   LYS  42          HB3       LYS  42  -0.758   9.648  -8.467
  289   1HG   LYS  42          HG2       LYS  42  -0.322  11.474  -6.787
  290   2HG   LYS  42          HG3       LYS  42   0.834  12.203  -7.900
  291   1HD   LYS  42          HD2       LYS  42  -2.168  11.752  -8.308
  292   2HD   LYS  42          HD3       LYS  42  -1.393  13.305  -8.026
  293   1HE   LYS  42          HE2       LYS  42  -1.170  11.543 -10.522
  294   2HE   LYS  42          HE3       LYS  42  -2.024  13.074 -10.372
  295   1HZ   LYS  42          HZ1       LYS  42   0.894  12.730 -10.133
  296   2HZ   LYS  42          HZ2       LYS  42   0.102  13.378 -11.418
  297   3HZ   LYS  42          HZ3       LYS  42   0.093  14.160  -9.974
  298    H    SER  43           H        SER  43  -0.943   8.501  -6.729
  299    HA   SER  43           HA       SER  43  -0.880   9.144  -4.097
  300   1HB   SER  43          HB2       SER  43  -1.890   6.452  -5.073
  301   2HB   SER  43          HB3       SER  43  -2.633   7.570  -3.916
  302    HG   SER  43           HG       SER  43  -3.584   7.575  -6.073
  303    H    ALA  44           H        ALA  44   0.460   6.184  -5.557
  304    HA   ALA  44           HA       ALA  44   1.302   4.834  -3.205
  305   1HB   ALA  44          HB1       ALA  44   1.115   3.819  -5.461
  306   2HB   ALA  44          HB2       ALA  44   2.508   4.773  -6.007
  307   3HB   ALA  44          HB3       ALA  44   2.714   3.555  -4.734
  308    H    HIS  45           HN       HIS  45   2.848   7.377  -5.091
  309    HA   HIS  45           HA       HIS  45   5.442   7.114  -3.659
  310   1HB   HIS  45          HB2       HIS  45   4.652   8.698  -6.121
  311   2HB   HIS  45          HB3       HIS  45   6.291   8.412  -5.524
  312    HD1  HIS  45           HND      HIS  45   5.382   7.632  -8.420
  313    HD2  HIS  45           HD       HIS  45   5.568   5.088  -5.090
  314    HE1  HIS  45           HE       HIS  45   6.045   5.343  -9.300
  315    H    LYS  46           H        LYS  46   2.593   8.947  -3.544
  316    HA   LYS  46           HA       LYS  46   3.883  11.488  -2.747
  317   1HB   LYS  46          HB2       LYS  46   1.769  11.367  -4.140
  318   2HB   LYS  46          HB3       LYS  46   0.900  10.834  -2.711
  319   1HG   LYS  46          HG2       LYS  46   1.623  12.871  -1.481
  320   2HG   LYS  46          HG3       LYS  46   2.571  13.381  -2.895
  321   1HD   LYS  46          HD2       LYS  46   0.462  13.544  -4.234
  322   2HD   LYS  46          HD3       LYS  46  -0.454  12.974  -2.837
  323   1HE   LYS  46          HE2       LYS  46  -0.685  15.385  -2.985
  324   2HE   LYS  46          HE3       LYS  46   0.213  14.963  -1.523
  325   1HZ   LYS  46          HZ1       LYS  46   1.429  15.893  -4.053
  326   2HZ   LYS  46          HZ2       LYS  46   1.202  16.816  -2.713
  327   3HZ   LYS  46          HZ3       LYS  46   2.245  15.551  -2.667
  328    H    ASP  47           H        ASP  47   1.508   9.217  -1.402
  329    HA   ASP  47           HA       ASP  47   2.828   9.346   1.230
  330   1HB   ASP  47          HB2       ASP  47   1.230  11.369   0.941
  331   2HB   ASP  47          HB3       ASP  47  -0.089  10.199   1.129
  332    H    ALA  48           H        ALA  48  -0.224   8.278  -0.225
  333    HA   ALA  48           HA       ALA  48  -1.479   6.663   1.208
  334   1HB   ALA  48          HB1       ALA  48  -1.947   5.097  -0.638
  335   2HB   ALA  48          HB2       ALA  48  -1.850   6.774  -1.201
  336   3HB   ALA  48          HB3       ALA  48  -0.506   5.663  -1.504
  337    H    CYS  49           HN       CYS  49   1.061   4.726  -0.411
  338    HA   CYS  49           HA       CYS  49   1.037   2.816   1.824
  339   1HB   CYS  49          HB2       CYS  49   2.767   2.888  -0.635
  340   2HB   CYS  49          HB3       CYS  49   2.489   1.482   0.385
  341    H    LYS  50           H        LYS  50   3.461   4.888   0.240
  342    HA   LYS  50           HA       LYS  50   5.691   4.014   1.646
  343   1HB   LYS  50          HB2       LYS  50   6.694   6.175   0.922
  344   2HB   LYS  50          HB3       LYS  50   5.920   5.251  -0.375
  345   1HG   LYS  50          HG2       LYS  50   4.011   6.684  -0.407
  346   2HG   LYS  50          HG3       LYS  50   4.432   7.474   1.107
  347   1HD   LYS  50          HD2       LYS  50   6.192   7.652  -1.364
  348   2HD   LYS  50          HD3       LYS  50   4.775   8.657  -0.984
  349   1HE   LYS  50          HE2       LYS  50   5.988   9.096   1.318
  350   2HE   LYS  50          HE3       LYS  50   7.434   8.646   0.393
  351   1HZ   LYS  50          HZ1       LYS  50   5.473  10.779  -0.159
  352   2HZ   LYS  50          HZ2       LYS  50   7.077  10.992   0.138
  353   3HZ   LYS  50          HZ3       LYS  50   6.552  10.312  -1.296
  354    H    THR  51           H        THR  51   3.412   6.559   2.720
  355    HA   THR  51           HA       THR  51   5.292   7.519   4.735
  356    HB   THR  51           HB       THR  51   2.406   8.228   4.204
  357    HG1  THR  51           HG1      THR  51   3.480  10.064   3.390
  358   1HG2  THR  51          HG2       THR  51   2.920  10.219   5.614
  359   2HG2  THR  51          HG2       THR  51   2.934   8.735   6.574
  360   3HG2  THR  51          HG2       THR  51   4.469   9.489   6.078
  361    H    CYS  52           HN       CYS  52   2.429   5.347   4.840
  362    HA   CYS  52           HA       CYS  52   2.503   4.882   7.687
  363   1HB   CYS  52          HB2       CYS  52   0.691   4.045   6.305
  364   2HB   CYS  52          HB3       CYS  52   1.824   2.958   5.460
  365    H    HIS  53           HN       HIS  53   4.167   3.304   4.960
  366    HA   HIS  53           HA       HIS  53   5.899   1.602   6.367
  367   1HB   HIS  53          HB2       HIS  53   6.165   3.086   3.748
  368   2HB   HIS  53          HB3       HIS  53   7.308   1.880   4.258
  369    HD1  HIS  53           HND      HIS  53   6.195   1.111   1.735
  370    HD2  HIS  53           HD       HIS  53   4.140   0.376   5.312
  371    HE1  HIS  53           HE       HIS  53   4.597  -0.855   1.286
  372    H    LYS  54           H        LYS  54   5.969   4.804   7.151
  373    HA   LYS  54           HA       LYS  54   8.904   4.790   7.787
  374   1HB   LYS  54          HB2       LYS  54   6.864   6.971   7.880
  375   2HB   LYS  54          HB3       LYS  54   8.589   7.038   8.310
  376   1HG   LYS  54          HG2       LYS  54   9.001   5.984   5.957
  377   2HG   LYS  54          HG3       LYS  54   7.409   6.648   5.583
  378   1HD   LYS  54          HD2       LYS  54   8.277   8.867   6.551
  379   2HD   LYS  54          HD3       LYS  54   9.842   8.040   6.771
  380   1HE   LYS  54          HE2       LYS  54   9.992   7.683   4.304
  381   2HE   LYS  54          HE3       LYS  54   8.448   8.525   4.087
  382   1HZ   LYS  54          HZ1       LYS  54   9.474  10.502   5.021
  383   2HZ   LYS  54          HZ2       LYS  54  10.900   9.716   5.236
  384   3HZ   LYS  54          HZ3       LYS  54  10.341   9.994   3.716
  385    H    SER  55           H        SER  55   5.610   4.627   9.108
  386    HA   SER  55           HA       SER  55   6.357   5.239  11.872
  387   1HB   SER  55          HB2       SER  55   4.120   5.757  10.984
  388   2HB   SER  55          HB3       SER  55   3.834   4.041  10.641
  389    HG   SER  55           HG       SER  55   4.469   5.007  13.245
  390    H    ASN  56           H        ASN  56   5.944   2.382   9.835
  391    HA   ASN  56           HA       ASN  56   6.617   0.560  12.095
  392   1HB   ASN  56          HB2       ASN  56   5.597  -1.168  10.826
  393   2HB   ASN  56          HB3       ASN  56   4.503   0.198  10.811
  394   1HD2  ASN  56          HD2       ASN  56   6.773  -1.672   8.856
  395   2HD2  ASN  56          HD2       ASN  56   6.209  -1.055   7.293
  396    H    ASN  57           H        ASN  57   7.782  -1.465  10.643
  397    HA   ASN  57           HA       ASN  57  10.495  -0.311  10.152
  398   1HB   ASN  57          HB2       ASN  57   9.583  -3.215  10.346
  399   2HB   ASN  57          HB3       ASN  57  11.249  -2.637  10.247
  400   1HD2  ASN  57          HD2       ASN  57  11.361  -0.555  12.072
  401   2HD2  ASN  57          HD2       ASN  57  10.987  -1.211  13.662
  402    H    GLY  58           H        GLY  58   9.070   0.671   8.266
  403   1HA   GLY  58          HA2       GLY  58   8.253  -1.265   6.299
  404   2HA   GLY  58          HA3       GLY  58   7.964   0.460   6.249
  405    HA   PRO  59           HA       PRO  59  11.264  -1.050   3.182
  406   1HB   PRO  59          HB2       PRO  59   9.835  -1.281   0.868
  407   2HB   PRO  59          HB3       PRO  59   9.854  -2.557   2.120
  408   1HG   PRO  59          HG2       PRO  59   7.829  -0.345   1.777
  409   2HG   PRO  59          HG3       PRO  59   7.477  -2.091   1.848
  410   1HD   PRO  59          HD2       PRO  59   7.291  -0.622   4.096
  411   2HD   PRO  59          HD3       PRO  59   8.102  -2.195   4.174
  412    H    THR  60           H        THR  60  11.789   1.220   3.875
  413    HA   THR  60           HA       THR  60  11.092   3.371   2.047
  414    HB   THR  60           HB       THR  60  11.764   3.767   4.330
  415    HG1  THR  60           HG1      THR  60  12.052   5.332   2.627
  416   1HG2  THR  60          HG2       THR  60  14.044   3.753   5.085
  417   2HG2  THR  60          HG2       THR  60  13.606   2.107   4.598
  418   3HG2  THR  60          HG2       THR  60  14.634   3.111   3.552
  419    H    LYS  61           H        LYS  61  11.417   1.607   0.261
  420    HA   LYS  61           HA       LYS  61  13.729   2.380  -1.340
  421   1HB   LYS  61          HB2       LYS  61  14.585   0.101  -1.617
  422   2HB   LYS  61          HB3       LYS  61  14.716   0.637   0.061
  423   1HG   LYS  61          HG2       LYS  61  12.658  -0.680   0.621
  424   2HG   LYS  61          HG3       LYS  61  12.619  -1.248  -1.056
  425   1HD   LYS  61          HD2       LYS  61  14.977  -2.135  -0.719
  426   2HD   LYS  61          HD3       LYS  61  14.774  -1.844   1.007
  427   1HE   LYS  61          HE2       LYS  61  13.050  -3.660  -0.772
  428   2HE   LYS  61          HE3       LYS  61  14.299  -4.215   0.336
  429   1HZ   LYS  61          HZ1       LYS  61  12.990  -3.456   2.185
  430   2HZ   LYS  61          HZ2       LYS  61  11.861  -2.787   1.196
  431   3HZ   LYS  61          HZ3       LYS  61  11.999  -4.375   1.272
  432    H    CYS  62           HN       CYS  62  13.113   2.390  -3.516
  433    HA   CYS  62           HA       CYS  62  10.490   2.010  -4.351
  434   1HB   CYS  62          HB2       CYS  62  12.845   1.371  -6.104
  435   2HB   CYS  62          HB3       CYS  62  11.288   1.981  -6.613
  436    H    GLY  63           H        GLY  63  13.167  -0.327  -4.876
  437   1HA   GLY  63          HA2       GLY  63  11.386  -2.465  -5.693
  438   2HA   GLY  63          HA3       GLY  63  13.121  -2.546  -5.423
  439    H    GLY  64           H        GLY  64  10.910  -1.388  -2.924
  440   1HA   GLY  64          HA2       GLY  64  10.824  -4.068  -1.560
  441   2HA   GLY  64          HA3       GLY  64  10.603  -2.504  -0.772
  442    H    CYS  65           HN       CYS  65   9.033  -1.700  -3.437
  443    HA   CYS  65           HA       CYS  65   6.442  -2.969  -2.588
  444   1HB   CYS  65          HB2       CYS  65   7.070  -0.474  -4.146
  445   2HB   CYS  65          HB3       CYS  65   5.446  -1.139  -3.888
  446    H    HIS  66           HN       HIS  66   7.626  -1.841  -5.705
  447    HA   HIS  66           HA       HIS  66   6.586  -4.003  -7.301
  448   1HB   HIS  66          HB2       HIS  66   8.949  -2.783  -8.456
  449   2HB   HIS  66          HB3       HIS  66   7.299  -2.706  -9.008
  450    HD1  HIS  66           HND      HIS  66   9.478  -0.975  -6.360
  451    HD2  HIS  66           HD       HIS  66   6.124  -0.314  -8.816
  452    HE1  HIS  66           HE       HIS  66   8.831   1.417  -6.061
  453    H    ILE  67           H        ILE  67   7.373  -6.088  -7.579
  454    HA   ILE  67           HA       ILE  67   9.610  -7.166  -6.254
  455    HB   ILE  67           HB       ILE  67   8.433  -8.054  -8.920
  456   1HG1  ILE  67          HG1       ILE  67   6.642  -8.201  -7.402
  457   2HG1  ILE  67          HG1       ILE  67   7.280  -9.815  -7.521
  458   1HG2  ILE  67          HG2       ILE  67  10.246  -9.552  -6.988
  459   2HG2  ILE  67          HG2       ILE  67   9.326 -10.322  -8.294
  460   3HG2  ILE  67          HG2       ILE  67  10.566  -9.148  -8.690
  461   1HD1  ILE  67          HD1       ILE  67   8.531  -9.429  -5.348
  462   2HD1  ILE  67          HD1       ILE  67   7.689  -7.863  -5.215
  463   3HD1  ILE  67          HD1       ILE  67   6.764  -9.369  -5.215
  464    H    LYS  68           H        LYS  68  11.743  -7.777  -6.847
  465    HA   LYS  68           HA       LYS  68  13.052  -6.906  -9.218
  466   1HB   LYS  68          HB2       LYS  68  14.558  -5.294  -8.139
  467   2HB   LYS  68          HB3       LYS  68  12.902  -4.705  -8.136
  468   1HG   LYS  68          HG2       LYS  68  12.746  -4.695  -5.923
  469   2HG   LYS  68          HG3       LYS  68  13.347  -6.313  -5.731
  470   1HD   LYS  68          HD2       LYS  68  15.193  -3.926  -6.146
  471   2HD   LYS  68          HD3       LYS  68  14.768  -4.635  -4.569
  472   1HE   LYS  68          HE2       LYS  68  15.625  -6.873  -5.379
  473   2HE   LYS  68          HE3       LYS  68  16.175  -6.099  -6.868
  474   1HZ   LYS  68          HZ1       LYS  68  17.931  -6.301  -5.306
  475   2HZ   LYS  68          HZ2       LYS  68  17.618  -4.710  -5.588
  476   3HZ   LYS  68          HZ3       LYS  68  17.124  -5.413  -4.178
  477    HHA  HEC 130           HCM      HEC  30 -10.410  -0.577  -2.897
  478    HHB  HEC 130           HDM      HEC  30 -13.351  -2.786   2.177
  479    HHC  HEC 130           HAM      HEC  30  -7.839  -3.430   5.067
  480    HHD  HEC 130           HBM      HEC  30  -5.157  -0.410   0.394
  481   1HMA  HEC 130          HM8       HEC  30 -15.158  -1.400  -0.813
  482   2HMA  HEC 130          HM8       HEC  30 -14.845  -2.978  -0.075
  483   3HMA  HEC 130          HM8       HEC  30 -14.929  -1.505   0.927
  484   1HAA  HEC 130          HP7       HEC  30 -12.526  -0.242  -3.253
  485   2HAA  HEC 130          HP7       HEC  30 -13.952  -0.043  -2.259
  486   1HBA  HEC 130          HP7       HEC  30 -14.485  -2.505  -2.738
  487   2HBA  HEC 130          HP7       HEC  30 -13.173  -2.450  -3.915
  488   1HMB  HEC 130          HM1       HEC  30 -13.661  -3.011   4.792
  489   2HMB  HEC 130          HM1       HEC  30 -13.555  -4.498   3.811
  490   3HMB  HEC 130          HM1       HEC  30 -12.992  -4.492   5.477
  491    HAB  HEC 130           HT2      HEC  30  -9.286  -3.873   6.548
  492   1HBB  HEC 130          HT2       HEC  30 -11.381  -5.988   5.960
  493   2HBB  HEC 130          HT2       HEC  30  -9.645  -6.120   5.622
  494   3HBB  HEC 130          HT2       HEC  30 -10.219  -5.962   7.295
  495   1HMC  HEC 130          HM3       HEC  30  -4.148  -2.689   4.830
  496   2HMC  HEC 130          HM3       HEC  30  -5.648  -2.886   5.730
  497   3HMC  HEC 130          HM3       HEC  30  -5.124  -4.132   4.553
  498    HAC  HEC 130           HT4      HEC  30  -4.116   0.116   2.145
  499   1HBC  HEC 130          HT4       HEC  30  -2.769  -2.446   3.039
  500   2HBC  HEC 130          HT4       HEC  30  -2.857  -1.741   1.407
  501   3HBC  HEC 130          HT4       HEC  30  -1.953  -0.907   2.689
  502   1HMD  HEC 130          HM5       HEC  30  -5.220   0.251  -3.199
  503   2HMD  HEC 130          HM5       HEC  30  -5.076   1.279  -1.761
  504   3HMD  HEC 130          HM5       HEC  30  -4.535  -0.416  -1.717
  505   1HAD  HEC 130          HP6       HEC  30  -7.101   0.722  -4.233
  506   2HAD  HEC 130          HP6       HEC  30  -8.822   0.635  -4.142
  507   1HBD  HEC 130          HP6       HEC  30  -8.727  -1.850  -4.362
  508   2HBD  HEC 130          HP6       HEC  30  -6.968  -1.734  -4.462
  509    HHA  HEC 153           HCM      HEC  53   5.973  -4.636   4.906
  510    HHB  HEC 153           HDM      HEC  53   3.285  -3.575  -0.625
  511    HHC  HEC 153           HAM      HEC  53  -0.066   0.982   1.974
  512    HHD  HEC 153           HBM      HEC  53   1.778  -0.894   7.602
  513   1HMA  HEC 153          HM8       HEC  53   5.514  -4.419  -1.013
  514   2HMA  HEC 153          HM8       HEC  53   6.327  -5.739  -0.197
  515   3HMA  HEC 153          HM8       HEC  53   4.597  -5.873  -0.569
  516   1HAA  HEC 153          HP7       HEC  53   6.910  -6.448   1.803
  517   2HAA  HEC 153          HP7       HEC  53   6.958  -6.022   3.489
  518   1HBA  HEC 153          HP7       HEC  53   8.283  -4.068   3.049
  519   2HBA  HEC 153          HP7       HEC  53   8.088  -4.251   1.300
  520   1HMB  HEC 153          HM1       HEC  53   1.054  -2.375  -2.379
  521   2HMB  HEC 153          HM1       HEC  53   1.771  -0.744  -2.499
  522   3HMB  HEC 153          HM1       HEC  53   2.806  -2.121  -2.180
  523    HAB  HEC 153           HT2      HEC  53  -0.882   0.765   0.090
  524   1HBB  HEC 153          HT2       HEC  53  -0.329  -0.219  -2.691
  525   2HBB  HEC 153          HT2       HEC  53  -1.370  -1.071  -1.533
  526   3HBB  HEC 153          HT2       HEC  53  -1.738   0.586  -2.047
  527   1HMC  HEC 153          HM3       HEC  53  -1.257   2.120   3.233
  528   2HMC  HEC 153          HM3       HEC  53  -1.890   1.893   4.828
  529   3HMC  HEC 153          HM3       HEC  53  -0.563   3.042   4.551
  530    HAC  HEC 153           HT4      HEC  53   0.035   0.366   7.918
  531   1HBC  HEC 153          HT4       HEC  53  -1.413   2.143   8.383
  532   2HBC  HEC 153          HT4       HEC  53  -1.260   2.845   6.785
  533   3HBC  HEC 153          HT4       HEC  53  -2.062   1.267   6.996
  534   1HMD  HEC 153          HM5       HEC  53   3.932  -3.239   9.535
  535   2HMD  HEC 153          HM5       HEC  53   3.156  -1.688   9.245
  536   3HMD  HEC 153          HM5       HEC  53   2.222  -3.186   9.082
  537   1HAD  HEC 153          HP6       HEC  53   5.395  -5.580   6.820
  538   2HAD  HEC 153          HP6       HEC  53   4.569  -5.228   8.306
  539   1HBD  HEC 153          HP6       HEC  53   7.078  -3.690   7.565
  540   2HBD  HEC 153          HP6       HEC  53   7.186  -5.337   8.190
  541    HHA  HEC 166           HCM      HEC  66   3.403   2.261 -10.459
  542    HHB  HEC 166           HDM      HEC  66   9.465   3.723 -10.424
  543    HHC  HEC 166           HAM      HEC  66   9.046   4.325  -4.201
  544    HHD  HEC 166           HBM      HEC  66   3.874   0.906  -4.421
  545   1HMA  HEC 166          HM8       HEC  66   8.474   4.586 -12.388
  546   2HMA  HEC 166          HM8       HEC  66   8.612   2.882 -12.896
  547   3HMA  HEC 166          HM8       HEC  66   7.304   3.885 -13.499
  548   1HAA  HEC 166          HP7       HEC  66   5.134   3.710 -13.404
  549   2HAA  HEC 166          HP7       HEC  66   3.810   3.416 -12.302
  550   1HBA  HEC 166          HP7       HEC  66   3.569   1.759 -13.857
  551   2HBA  HEC 166          HP7       HEC  66   4.316   0.940 -12.481
  552   1HMB  HEC 166          HM1       HEC  66  12.349   4.844  -8.265
  553   2HMB  HEC 166          HM1       HEC  66  11.673   3.838  -9.537
  554   3HMB  HEC 166          HM1       HEC  66  11.214   5.555  -9.425
  555    HAB  HEC 166           HT2      HEC  66  11.003   4.688  -4.599
  556   1HBB  HEC 166          HT2       HEC  66  12.525   6.492  -5.005
  557   2HBB  HEC 166          HT2       HEC  66  12.127   6.510  -6.730
  558   3HBB  HEC 166          HT2       HEC  66  10.890   6.937  -5.531
  559   1HMC  HEC 166          HM3       HEC  66   8.183   1.946  -1.561
  560   2HMC  HEC 166          HM3       HEC  66   9.177   3.063  -2.443
  561   3HMC  HEC 166          HM3       HEC  66   7.823   3.694  -1.481
  562    HAC  HEC 166           HT4      HEC  66   4.417   0.941  -2.398
  563   1HBC  HEC 166          HT4       HEC  66   6.333   2.170  -0.416
  564   2HBC  HEC 166          HT4       HEC  66   4.951   3.037  -1.108
  565   3HBC  HEC 166          HT4       HEC  66   4.713   1.538  -0.175
  566   1HMD  HEC 166          HM5       HEC  66   0.638   0.756  -6.279
  567   2HMD  HEC 166          HM5       HEC  66   1.773  -0.219  -5.349
  568   3HMD  HEC 166          HM5       HEC  66   1.528   1.480  -4.949
  569   1HAD  HEC 166          HP6       HEC  66   0.625   1.746  -8.926
  570   2HAD  HEC 166          HP6       HEC  66   0.889   0.140  -8.343
  571   1HBD  HEC 166          HP6       HEC  66   0.848  -0.458 -10.394
  572   2HBD  HEC 166          HP6       HEC  66   2.537  -0.118 -10.360
  Start of MODEL   14
    1   1H    ALA   1          H1        ALA   1  -9.698  -6.973  -3.813
    2   2H    ALA   1          H2        ALA   1 -11.276  -6.949  -4.297
    3   3H    ALA   1          H3        ALA   1 -10.869  -6.587  -2.732
    4    HA   ALA   1           HA       ALA   1 -11.821  -8.790  -2.903
    5   1HB   ALA   1          HB1       ALA   1 -10.920  -9.212  -5.206
    6   2HB   ALA   1          HB2       ALA   1  -9.300  -9.404  -4.508
    7   3HB   ALA   1          HB3       ALA   1 -10.605 -10.538  -4.086
    8    H    ASP   2           H        ASP   2  -9.486 -10.729  -2.413
    9    HA   ASP   2           HA       ASP   2  -8.313  -9.726   0.166
   10   1HB   ASP   2          HB2       ASP   2  -9.413 -12.105  -0.475
   11   2HB   ASP   2          HB3       ASP   2  -7.876 -12.367  -1.316
   12    H    VAL   3           H        VAL   3  -5.854 -11.300  -0.565
   13    HA   VAL   3           HA       VAL   3  -4.217  -9.154  -1.285
   14    HB   VAL   3           HB       VAL   3  -3.769 -12.082  -1.955
   15   1HG1  VAL   3          HG1       VAL   3  -1.346 -11.432  -1.948
   16   2HG1  VAL   3          HG1       VAL   3  -2.230 -10.697  -3.287
   17   3HG1  VAL   3          HG1       VAL   3  -1.829  -9.726  -1.853
   18   1HG2  VAL   3          HG2       VAL   3  -4.069 -11.682   0.474
   19   2HG2  VAL   3          HG2       VAL   3  -2.384 -12.045   0.108
   20   3HG2  VAL   3          HG2       VAL   3  -2.878 -10.371   0.417
   21    H    VAL   4           H        VAL   4  -4.242  -7.819  -2.967
   22    HA   VAL   4           HA       VAL   4  -5.067  -8.759  -5.703
   23    HB   VAL   4           HB       VAL   4  -4.993  -5.928  -4.571
   24   1HG1  VAL   4          HG1       VAL   4  -4.616  -5.890  -6.988
   25   2HG1  VAL   4          HG1       VAL   4  -6.000  -6.982  -7.243
   26   3HG1  VAL   4          HG1       VAL   4  -6.242  -5.332  -6.635
   27   1HG2  VAL   4          HG2       VAL   4  -7.307  -7.835  -4.958
   28   2HG2  VAL   4          HG2       VAL   4  -6.820  -6.911  -3.510
   29   3HG2  VAL   4          HG2       VAL   4  -7.513  -6.068  -4.883
   30    H    THR   5           H        THR   5  -3.665  -8.196  -7.493
   31    HA   THR   5           HA       THR   5  -0.979  -7.098  -6.744
   32    HB   THR   5           HB       THR   5  -1.625  -9.591  -8.282
   33    HG1  THR   5           HG1      THR   5   0.567  -8.906  -6.627
   34   1HG2  THR   5          HG2       THR   5  -0.268  -8.371  -9.878
   35   2HG2  THR   5          HG2       THR   5   0.874  -7.878  -8.598
   36   3HG2  THR   5          HG2       THR   5   0.740  -9.583  -9.083
   37    H    TYR   6           H        TYR   6  -0.564  -5.257  -7.580
   38    HA   TYR   6           HA       TYR   6  -1.781  -4.356 -10.124
   39   1HB   TYR   6          HB2       TYR   6  -0.176  -3.114  -7.913
   40   2HB   TYR   6          HB3       TYR   6   0.024  -2.466  -9.500
   41    HD1  TYR   6           HD1      TYR   6  -3.092  -3.917  -7.907
   42    HD2  TYR   6           HD2      TYR   6  -1.154  -0.405  -9.464
   43    HE1  TYR   6           HE1      TYR   6  -5.057  -2.536  -7.258
   44    HE2  TYR   6           HE2      TYR   6  -3.138   0.954  -8.863
   45    HH   TYR   6           HH       TYR   6  -6.081  -0.467  -7.459
   46    H    GLU   7           H        GLU   7  -0.931  -5.253 -11.854
   47    HA   GLU   7           HA       GLU   7   1.879  -5.886 -12.085
   48   1HB   GLU   7          HB2       GLU   7  -0.368  -6.193 -14.109
   49   2HB   GLU   7          HB3       GLU   7   1.240  -6.946 -14.158
   50   1HG   GLU   7          HG2       GLU   7   0.561  -7.807 -11.792
   51   2HG   GLU   7          HG3       GLU   7  -1.102  -7.490 -12.270
   52    H    ASN   8           H        ASN   8   3.440  -4.574 -12.799
   53    HA   ASN   8           HA       ASN   8   2.787  -2.313 -14.606
   54   1HB   ASN   8          HB2       ASN   8   4.481  -1.526 -12.326
   55   2HB   ASN   8          HB3       ASN   8   3.089  -0.706 -13.062
   56   1HD2  ASN   8          HD2       ASN   8   4.181  -2.843 -10.448
   57   2HD2  ASN   8          HD2       ASN   8   2.557  -3.161  -9.870
   58    H    ALA   9           H        ALA   9   4.667  -1.381 -15.583
   59    HA   ALA   9           HA       ALA   9   6.455  -3.418 -16.542
   60   1HB   ALA   9          HB1       ALA   9   7.459  -1.557 -17.798
   61   2HB   ALA   9          HB2       ALA   9   5.684  -1.488 -17.868
   62   3HB   ALA   9          HB3       ALA   9   6.574  -0.388 -16.791
   63    H    ALA  10           H        ALA  10   6.667  -1.240 -13.850
   64    HA   ALA  10           HA       ALA  10   9.606  -1.455 -13.573
   65   1HB   ALA  10          HB1       ALA  10   9.270  -0.006 -11.621
   66   2HB   ALA  10          HB2       ALA  10   8.478   0.634 -13.072
   67   3HB   ALA  10          HB3       ALA  10   7.506  -0.153 -11.802
   68    H    GLY  11           H        GLY  11   7.094  -3.588 -12.862
   69   1HA   GLY  11          HA2       GLY  11   7.896  -5.692 -11.663
   70   2HA   GLY  11          HA3       GLY  11   8.433  -4.651 -10.380
   71    H    ASN  12           H        ASN  12   6.069  -6.726 -10.820
   72    HA   ASN  12           HA       ASN  12   3.780  -5.104 -10.175
   73   1HB   ASN  12          HB2       ASN  12   3.899  -7.989  -9.363
   74   2HB   ASN  12          HB3       ASN  12   2.530  -6.906  -9.755
   75   1HD2  ASN  12          HD2       ASN  12   2.493  -9.357 -10.830
   76   2HD2  ASN  12          HD2       ASN  12   2.503  -9.123 -12.549
   77    H    VAL  13           H        VAL  13   2.663  -5.161  -8.084
   78    HA   VAL  13           HA       VAL  13   4.672  -4.856  -5.885
   79    HB   VAL  13           HB       VAL  13   4.272  -2.774  -6.805
   80   1HG1  VAL  13          HG1       VAL  13   1.316  -3.285  -6.396
   81   2HG1  VAL  13          HG1       VAL  13   2.038  -1.772  -7.018
   82   3HG1  VAL  13          HG1       VAL  13   2.135  -3.227  -7.974
   83   1HG2  VAL  13          HG2       VAL  13   4.192  -2.987  -4.240
   84   2HG2  VAL  13          HG2       VAL  13   3.488  -1.512  -4.938
   85   3HG2  VAL  13          HG2       VAL  13   2.429  -2.823  -4.394
   86    H    THR  14           H        THR  14   1.510  -6.234  -6.381
   87    HA   THR  14           HA       THR  14   0.157  -7.372  -4.957
   88    HB   THR  14           HB       THR  14   2.806  -7.892  -3.666
   89    HG1  THR  14           HG1      THR  14   1.324  -9.717  -5.141
   90   1HG2  THR  14          HG2       THR  14   1.676  -9.972  -2.823
   91   2HG2  THR  14          HG2       THR  14   1.069  -8.522  -2.021
   92   3HG2  THR  14          HG2       THR  14   0.107  -9.291  -3.306
   93    H    PHE  15           H        PHE  15  -1.237  -5.930  -4.340
   94    HA   PHE  15           HA       PHE  15  -1.036  -4.286  -1.893
   95   1HB   PHE  15          HB2       PHE  15  -3.206  -4.868  -3.919
   96   2HB   PHE  15          HB3       PHE  15  -3.518  -4.011  -2.412
   97    HD1  PHE  15           HD1      PHE  15  -0.389  -3.414  -4.419
   98    HD2  PHE  15           HD2      PHE  15  -4.430  -2.133  -3.579
   99    HE1  PHE  15           HE1      PHE  15  -0.115  -1.494  -5.921
  100    HE2  PHE  15           HE2      PHE  15  -4.093  -0.178  -5.052
  101    HZ   PHE  15           HZ       PHE  15  -1.938   0.133  -6.225
  102    H    ASP  16           H        ASP  16  -0.938  -5.465  -0.095
  103    HA   ASP  16           HA       ASP  16  -2.078  -8.127   0.164
  104   1HB   ASP  16          HB2       ASP  16  -0.875  -7.419   2.572
  105   2HB   ASP  16          HB3       ASP  16  -0.105  -8.255   1.227
  106    H    HIS  17           HN       HIS  17  -4.268  -7.135  -0.253
  107    HA   HIS  17           HA       HIS  17  -5.338  -5.147   1.356
  108   1HB   HIS  17          HB2       HIS  17  -6.061  -6.338  -0.908
  109   2HB   HIS  17          HB3       HIS  17  -7.029  -7.351   0.138
  110    HD1  HIS  17           HND      HIS  17  -9.411  -6.553  -0.011
  111    HD2  HIS  17           HD       HIS  17  -6.599  -3.458   0.363
  112    HE1  HIS  17           HE       HIS  17 -10.727  -4.425   0.496
  113    H    LYS  18           H        LYS  18  -5.594  -8.581   1.604
  114    HA   LYS  18           HA       LYS  18  -6.906  -8.742   4.219
  115   1HB   LYS  18          HB2       LYS  18  -6.932 -10.525   2.525
  116   2HB   LYS  18          HB3       LYS  18  -5.215 -10.702   2.611
  117   1HG   LYS  18          HG2       LYS  18  -5.695 -12.433   3.926
  118   2HG   LYS  18          HG3       LYS  18  -5.590 -11.231   5.185
  119   1HD   LYS  18          HD2       LYS  18  -7.944 -12.763   4.138
  120   2HD   LYS  18          HD3       LYS  18  -7.407 -12.482   5.784
  121   1HE   LYS  18          HE2       LYS  18  -9.425 -11.349   5.611
  122   2HE   LYS  18          HE3       LYS  18  -8.214 -10.073   5.579
  123   1HZ   LYS  18          HZ1       LYS  18  -8.574  -9.788   3.300
  124   2HZ   LYS  18          HZ2       LYS  18  -9.162 -11.274   3.059
  125   3HZ   LYS  18          HZ3       LYS  18 -10.109 -10.121   3.803
  126    H    ALA  19           H        ALA  19  -3.594  -9.607   3.211
  127    HA   ALA  19           HA       ALA  19  -2.787 -10.279   5.805
  128   1HB   ALA  19          HB1       ALA  19  -1.593 -10.979   3.748
  129   2HB   ALA  19          HB2       ALA  19  -0.999  -9.315   3.541
  130   3HB   ALA  19          HB3       ALA  19  -0.481 -10.263   4.941
  131    H    HIS  20           HN       HIS  20  -2.445  -7.065   4.244
  132    HA   HIS  20           HA       HIS  20  -1.150  -5.888   6.544
  133   1HB   HIS  20          HB2       HIS  20  -2.681  -4.753   4.183
  134   2HB   HIS  20          HB3       HIS  20  -2.291  -3.785   5.588
  135    HD1  HIS  20           HND      HIS  20   0.298  -6.293   4.451
  136    HD2  HIS  20           HD       HIS  20  -0.585  -2.187   4.260
  137    HE1  HIS  20           HE       HIS  20   2.429  -5.145   3.804
  138    H    ALA  21           H        ALA  21  -4.618  -6.055   5.548
  139    HA   ALA  21           HA       ALA  21  -5.777  -4.674   7.679
  140   1HB   ALA  21          HB1       ALA  21  -7.776  -5.904   7.251
  141   2HB   ALA  21          HB2       ALA  21  -6.996  -5.488   5.705
  142   3HB   ALA  21          HB3       ALA  21  -6.934  -7.144   6.328
  143    H    GLU  22           H        GLU  22  -4.976  -8.169   7.560
  144    HA   GLU  22           HA       GLU  22  -5.965  -9.032   9.988
  145   1HB   GLU  22          HB2       GLU  22  -3.321  -9.759   8.653
  146   2HB   GLU  22          HB3       GLU  22  -4.078 -10.697   9.937
  147   1HG   GLU  22          HG2       GLU  22  -5.241 -10.228   7.176
  148   2HG   GLU  22          HG3       GLU  22  -4.565 -11.730   7.801
  149    H    LYS  23           H        LYS  23  -2.910  -7.180   9.537
  150    HA   LYS  23           HA       LYS  23  -2.433  -7.117  12.425
  151   1HB   LYS  23          HB2       LYS  23  -0.768  -7.396  10.336
  152   2HB   LYS  23          HB3       LYS  23  -0.806  -5.629  10.347
  153   1HG   LYS  23          HG2       LYS  23  -0.225  -5.685  12.768
  154   2HG   LYS  23          HG3       LYS  23  -0.240  -7.465  12.688
  155   1HD   LYS  23          HD2       LYS  23   1.602  -7.441  11.043
  156   2HD   LYS  23          HD3       LYS  23   1.642  -5.665  11.086
  157   1HE   LYS  23          HE2       LYS  23   2.241  -5.716  13.493
  158   2HE   LYS  23          HE3       LYS  23   2.119  -7.481  13.510
  159   1HZ   LYS  23          HZ1       LYS  23   4.069  -5.934  11.914
  160   2HZ   LYS  23          HZ2       LYS  23   4.403  -6.752  13.299
  161   3HZ   LYS  23          HZ3       LYS  23   3.951  -7.572  11.950
  162    H    LEU  24           H        LEU  24  -3.398  -4.990   9.790
  163    HA   LEU  24           HA       LEU  24  -3.138  -2.482  11.272
  164   1HB   LEU  24          HB2       LEU  24  -4.217  -3.155   8.530
  165   2HB   LEU  24          HB3       LEU  24  -4.030  -1.559   9.224
  166    HG   LEU  24           HG       LEU  24  -1.802  -3.473   8.484
  167   1HD1  LEU  24          HD1       LEU  24  -2.334  -0.612   7.600
  168   2HD1  LEU  24          HD1       LEU  24  -1.214  -1.784   6.881
  169   3HD1  LEU  24          HD1       LEU  24  -2.972  -2.012   6.737
  170   1HD2  LEU  24          HD2       LEU  24  -0.242  -1.642   9.172
  171   2HD2  LEU  24          HD2       LEU  24  -1.597  -0.839   9.994
  172   3HD2  LEU  24          HD2       LEU  24  -1.030  -2.441  10.534
  173    H    GLY  25           H        GLY  25  -5.990  -4.257  10.006
  174   1HA   GLY  25          HA2       GLY  25  -8.038  -4.366  11.118
  175   2HA   GLY  25          HA3       GLY  25  -7.706  -2.890  12.008
  176    H    CYS  26           HN       CYS  26  -7.418  -3.066   8.518
  177    HA   CYS  26           HA       CYS  26  -8.391  -2.037   6.757
  178   1HB   CYS  26          HB2       CYS  26 -10.875  -1.767   8.393
  179   2HB   CYS  26          HB3       CYS  26 -10.744  -1.622   6.637
  180    H    ASP  27           H        ASP  27  -9.370  -0.417   9.758
  181    HA   ASP  27           HA       ASP  27  -9.941   2.161   9.082
  182   1HB   ASP  27          HB2       ASP  27  -9.272   2.659  11.374
  183   2HB   ASP  27          HB3       ASP  27 -10.183   1.148  11.289
  184    H    ALA  28           H        ALA  28  -6.766   0.869   9.822
  185    HA   ALA  28           HA       ALA  28  -4.990   2.901   9.489
  186   1HB   ALA  28          HB1       ALA  28  -4.564   0.453  10.006
  187   2HB   ALA  28          HB2       ALA  28  -4.726   0.163   8.253
  188   3HB   ALA  28          HB3       ALA  28  -3.389   1.164   8.877
  189    H    CYS  29           HN       CYS  29  -6.821   1.492   6.782
  190    HA   CYS  29           HA       CYS  29  -5.397   3.312   4.844
  191   1HB   CYS  29          HB2       CYS  29  -6.722   0.636   4.389
  192   2HB   CYS  29          HB3       CYS  29  -6.029   1.699   3.155
  193    H    HIS  30           HN       HIS  30  -8.228   3.079   6.596
  194    HA   HIS  30           HA       HIS  30 -10.003   4.232   4.526
  195   1HB   HIS  30          HB2       HIS  30 -10.225   1.438   5.721
  196   2HB   HIS  30          HB3       HIS  30 -11.554   2.227   4.904
  197    HD1  HIS  30           HND      HIS  30  -9.753   3.173   2.332
  198    HD2  HIS  30           HD       HIS  30  -9.891  -0.535   4.160
  199    HE1  HIS  30           HE       HIS  30  -9.532   1.426   0.424
  200    H    GLU  31           H        GLU  31 -10.450   5.990   5.822
  201    HA   GLU  31           HA       GLU  31 -11.180   5.710   8.503
  202   1HB   GLU  31          HB2       GLU  31 -11.737   7.950   6.522
  203   2HB   GLU  31          HB3       GLU  31 -12.027   8.060   8.265
  204   1HG   GLU  31          HG2       GLU  31  -9.627   7.570   8.711
  205   2HG   GLU  31          HG3       GLU  31  -9.306   7.552   6.969
  206    H    GLY  32           H        GLY  32 -12.682   3.909   8.415
  207   1HA   GLY  32          HA2       GLY  32 -14.786   3.324   9.234
  208   2HA   GLY  32          HA3       GLY  32 -15.381   4.953   8.903
  209    H    THR  33           H        THR  33 -15.201   5.285   6.259
  210    HA   THR  33           HA       THR  33 -16.968   3.176   5.071
  211    HB   THR  33           HB       THR  33 -16.369   5.953   4.020
  212    HG1  THR  33           HG1      THR  33 -17.553   5.833   5.986
  213   1HG2  THR  33          HG2       THR  33 -18.449   3.842   3.257
  214   2HG2  THR  33          HG2       THR  33 -18.376   5.496   2.629
  215   3HG2  THR  33          HG2       THR  33 -17.082   4.349   2.239
  216    HA   PRO  34           HA       PRO  34 -12.933   2.281   2.990
  217   1HB   PRO  34          HB2       PRO  34 -13.370  -0.271   2.328
  218   2HB   PRO  34          HB3       PRO  34 -12.912   0.168   3.999
  219   1HG   PRO  34          HG2       PRO  34 -15.712  -0.339   2.915
  220   2HG   PRO  34          HG3       PRO  34 -14.975  -1.042   4.386
  221   1HD   PRO  34          HD2       PRO  34 -16.577   1.121   4.505
  222   2HD   PRO  34          HD3       PRO  34 -15.110   1.022   5.529
  223    H    ALA  35           H        ALA  35 -12.478   2.189   0.762
  224    HA   ALA  35           HA       ALA  35 -14.547   1.831  -1.248
  225   1HB   ALA  35          HB1       ALA  35 -14.597   4.223  -1.927
  226   2HB   ALA  35          HB2       ALA  35 -15.208   4.027  -0.274
  227   3HB   ALA  35          HB3       ALA  35 -13.567   4.637  -0.537
  228    H    LYS  36           H        LYS  36 -13.627   2.542  -3.462
  229    HA   LYS  36           HA       LYS  36 -10.872   1.615  -3.627
  230   1HB   LYS  36          HB2       LYS  36 -11.139   2.104  -6.105
  231   2HB   LYS  36          HB3       LYS  36 -11.859   0.693  -5.375
  232   1HG   LYS  36          HG2       LYS  36 -13.571   3.168  -5.550
  233   2HG   LYS  36          HG3       LYS  36 -13.164   2.327  -7.058
  234   1HD   LYS  36          HD2       LYS  36 -13.877   0.163  -6.105
  235   2HD   LYS  36          HD3       LYS  36 -14.406   0.972  -4.624
  236   1HE   LYS  36          HE2       LYS  36 -16.114   2.221  -5.950
  237   2HE   LYS  36          HE3       LYS  36 -15.542   1.406  -7.423
  238   1HZ   LYS  36          HZ1       LYS  36 -16.031  -0.731  -6.259
  239   2HZ   LYS  36          HZ2       LYS  36 -16.614   0.022  -5.027
  240   3HZ   LYS  36          HZ3       LYS  36 -17.429   0.165  -6.478
  241    H    ILE  37           H        ILE  37  -9.480   2.991  -2.784
  242    HA   ILE  37           HA       ILE  37  -9.304   5.826  -3.467
  243    HB   ILE  37           HB       ILE  37  -7.282   3.869  -2.306
  244   1HG1  ILE  37          HG1       ILE  37  -8.960   5.938  -0.815
  245   2HG1  ILE  37          HG1       ILE  37  -9.420   4.239  -0.936
  246   1HG2  ILE  37          HG2       ILE  37  -6.062   5.905  -1.549
  247   2HG2  ILE  37          HG2       ILE  37  -6.207   5.902  -3.297
  248   3HG2  ILE  37          HG2       ILE  37  -7.280   6.929  -2.331
  249   1HD1  ILE  37          HD1       ILE  37  -8.333   4.577   1.161
  250   2HD1  ILE  37          HD1       ILE  37  -7.309   3.547   0.144
  251   3HD1  ILE  37          HD1       ILE  37  -6.894   5.259   0.401
  252    H    ALA  38           H        ALA  38  -8.235   6.692  -5.286
  253    HA   ALA  38           HA       ALA  38  -7.277   4.847  -7.335
  254   1HB   ALA  38          HB1       ALA  38  -8.437   6.872  -7.985
  255   2HB   ALA  38          HB2       ALA  38  -7.149   7.870  -7.250
  256   3HB   ALA  38          HB3       ALA  38  -6.775   6.791  -8.620
  257    H    ILE  39           H        ILE  39  -5.519   3.803  -6.998
  258    HA   ILE  39           HA       ILE  39  -3.111   5.068  -5.805
  259    HB   ILE  39           HB       ILE  39  -3.732   2.163  -6.340
  260   1HG1  ILE  39          HG1       ILE  39  -5.210   3.030  -4.608
  261   2HG1  ILE  39          HG1       ILE  39  -3.973   1.993  -3.960
  262   1HG2  ILE  39          HG2       ILE  39  -1.365   2.438  -6.397
  263   2HG2  ILE  39          HG2       ILE  39  -1.394   3.635  -5.081
  264   3HG2  ILE  39          HG2       ILE  39  -1.722   1.932  -4.734
  265   1HD1  ILE  39          HD1       ILE  39  -2.691   3.986  -3.156
  266   2HD1  ILE  39          HD1       ILE  39  -3.992   5.035  -3.771
  267   3HD1  ILE  39          HD1       ILE  39  -4.319   3.888  -2.471
  268    H    ASP  40           H        ASP  40  -1.867   6.020  -7.143
  269    HA   ASP  40           HA       ASP  40  -1.042   4.745  -9.735
  270   1HB   ASP  40          HB2       ASP  40  -1.105   7.648  -8.809
  271   2HB   ASP  40          HB3       ASP  40  -0.523   7.089 -10.390
  272    H    LYS  41           H        LYS  41   1.198   5.079 -10.242
  273    HA   LYS  41           HA       LYS  41   3.335   5.459  -8.534
  274   1HB   LYS  41          HB2       LYS  41   4.560   6.237 -10.504
  275   2HB   LYS  41          HB3       LYS  41   3.456   4.926 -10.901
  276   1HG   LYS  41          HG2       LYS  41   1.785   6.796 -11.658
  277   2HG   LYS  41          HG3       LYS  41   3.156   7.903 -11.488
  278   1HD   LYS  41          HD2       LYS  41   3.197   7.330 -13.779
  279   2HD   LYS  41          HD3       LYS  41   4.421   6.265 -13.060
  280   1HE   LYS  41          HE2       LYS  41   2.538   4.532 -12.830
  281   2HE   LYS  41          HE3       LYS  41   1.521   5.552 -13.820
  282   1HZ   LYS  41          HZ1       LYS  41   2.949   5.146 -15.673
  283   2HZ   LYS  41          HZ2       LYS  41   4.164   4.551 -14.734
  284   3HZ   LYS  41          HZ3       LYS  41   2.928   3.670 -14.923
  285    H    LYS  42           H        LYS  42   0.900   7.694  -8.555
  286    HA   LYS  42           HA       LYS  42   2.617   9.931  -7.587
  287   1HB   LYS  42          HB2       LYS  42  -0.301   9.869  -8.448
  288   2HB   LYS  42          HB3       LYS  42   0.526  11.267  -7.756
  289   1HG   LYS  42          HG2       LYS  42   2.089  11.381  -9.569
  290   2HG   LYS  42          HG3       LYS  42   1.527   9.887 -10.299
  291   1HD   LYS  42          HD2       LYS  42  -0.407  12.222  -9.963
  292   2HD   LYS  42          HD3       LYS  42   0.803  12.228 -11.240
  293   1HE   LYS  42          HE2       LYS  42  -1.126  11.359 -12.278
  294   2HE   LYS  42          HE3       LYS  42  -0.024   9.999 -12.059
  295   1HZ   LYS  42          HZ1       LYS  42  -2.177   9.274 -11.394
  296   2HZ   LYS  42          HZ2       LYS  42  -1.341   9.444 -10.052
  297   3HZ   LYS  42          HZ3       LYS  42  -2.442  10.596 -10.450
  298    H    SER  43           H        SER  43  -0.643   8.487  -6.741
  299    HA   SER  43           HA       SER  43  -0.632   9.256  -4.052
  300   1HB   SER  43          HB2       SER  43  -2.223   6.962  -4.241
  301   2HB   SER  43          HB3       SER  43  -2.726   8.629  -4.537
  302    HG   SER  43           HG       SER  43  -3.239   7.387  -6.338
  303    H    ALA  44           H        ALA  44   0.386   6.095  -5.450
  304    HA   ALA  44           HA       ALA  44   0.995   4.788  -2.997
  305   1HB   ALA  44          HB1       ALA  44   2.391   4.523  -5.701
  306   2HB   ALA  44          HB2       ALA  44   2.420   3.364  -4.363
  307   3HB   ALA  44          HB3       ALA  44   0.895   3.695  -5.229
  308    H    HIS  45           HN       HIS  45   2.973   6.847  -5.102
  309    HA   HIS  45           HA       HIS  45   5.338   6.482  -3.482
  310   1HB   HIS  45          HB2       HIS  45   4.871   8.225  -5.895
  311   2HB   HIS  45          HB3       HIS  45   6.437   7.919  -5.148
  312    HD1  HIS  45           HND      HIS  45   5.622   7.253  -8.137
  313    HD2  HIS  45           HD       HIS  45   5.904   4.558  -4.925
  314    HE1  HIS  45           HE       HIS  45   6.321   5.039  -9.131
  315    H    LYS  46           H        LYS  46   2.727   8.692  -3.326
  316    HA   LYS  46           HA       LYS  46   4.301  10.699  -1.761
  317   1HB   LYS  46          HB2       LYS  46   1.417  10.562  -2.708
  318   2HB   LYS  46          HB3       LYS  46   2.040  11.805  -1.600
  319   1HG   LYS  46          HG2       LYS  46   3.624  12.588  -3.258
  320   2HG   LYS  46          HG3       LYS  46   3.119  11.326  -4.400
  321   1HD   LYS  46          HD2       LYS  46   0.805  12.205  -4.388
  322   2HD   LYS  46          HD3       LYS  46   1.258  13.425  -3.180
  323   1HE   LYS  46          HE2       LYS  46   2.900  14.397  -4.813
  324   2HE   LYS  46          HE3       LYS  46   2.364  13.221  -6.026
  325   1HZ   LYS  46          HZ1       LYS  46   0.148  14.190  -5.867
  326   2HZ   LYS  46          HZ2       LYS  46   0.660  15.272  -4.741
  327   3HZ   LYS  46          HZ3       LYS  46   1.245  15.347  -6.274
  328    H    ASP  47           H        ASP  47   1.078  10.086  -0.747
  329    HA   ASP  47           HA       ASP  47   2.121   9.560   1.886
  330   1HB   ASP  47          HB2       ASP  47   0.319  11.275   1.049
  331   2HB   ASP  47          HB3       ASP  47  -0.806   9.933   1.324
  332    H    ALA  48           H        ALA  48  -0.360   8.140  -0.174
  333    HA   ALA  48           HA       ALA  48  -1.705   6.478   1.284
  334   1HB   ALA  48          HB1       ALA  48  -2.019   6.786  -1.136
  335   2HB   ALA  48          HB2       ALA  48  -0.681   5.662  -1.457
  336   3HB   ALA  48          HB3       ALA  48  -2.158   5.081  -0.667
  337    H    CYS  49           HN       CYS  49   1.390   5.266  -0.039
  338    HA   CYS  49           HA       CYS  49   1.234   2.965   1.895
  339   1HB   CYS  49          HB2       CYS  49   2.528   3.038  -0.811
  340   2HB   CYS  49          HB3       CYS  49   2.413   1.626   0.245
  341    H    LYS  50           H        LYS  50   3.732   4.723  -0.031
  342    HA   LYS  50           HA       LYS  50   5.875   3.994   1.555
  343   1HB   LYS  50          HB2       LYS  50   5.300   6.211  -0.309
  344   2HB   LYS  50          HB3       LYS  50   6.586   6.551   0.847
  345   1HG   LYS  50          HG2       LYS  50   7.578   4.224   0.193
  346   2HG   LYS  50          HG3       LYS  50   6.561   4.380  -1.250
  347   1HD   LYS  50          HD2       LYS  50   8.625   6.423  -0.235
  348   2HD   LYS  50          HD3       LYS  50   8.972   5.240  -1.503
  349   1HE   LYS  50          HE2       LYS  50   7.558   6.264  -3.080
  350   2HE   LYS  50          HE3       LYS  50   6.561   6.969  -1.799
  351   1HZ   LYS  50          HZ1       LYS  50   9.079   8.060  -2.748
  352   2HZ   LYS  50          HZ2       LYS  50   7.544   8.704  -2.681
  353   3HZ   LYS  50          HZ3       LYS  50   8.386   8.486  -1.303
  354    H    THR  51           H        THR  51   3.651   6.785   2.268
  355    HA   THR  51           HA       THR  51   5.487   7.715   4.312
  356    HB   THR  51           HB       THR  51   2.642   8.569   3.808
  357    HG1  THR  51           HG1      THR  51   4.109   9.060   2.086
  358   1HG2  THR  51          HG2       THR  51   4.865   9.804   5.483
  359   2HG2  THR  51          HG2       THR  51   3.335  10.588   5.040
  360   3HG2  THR  51          HG2       THR  51   3.316   9.166   6.091
  361    H    CYS  52           HN       CYS  52   2.685   5.499   4.382
  362    HA   CYS  52           HA       CYS  52   2.722   5.181   7.277
  363   1HB   CYS  52          HB2       CYS  52   0.878   4.305   5.992
  364   2HB   CYS  52          HB3       CYS  52   1.964   3.167   5.160
  365    H    HIS  53           HN       HIS  53   4.302   3.343   4.605
  366    HA   HIS  53           HA       HIS  53   5.921   1.672   6.172
  367   1HB   HIS  53          HB2       HIS  53   6.348   2.982   3.482
  368   2HB   HIS  53          HB3       HIS  53   7.497   1.837   4.132
  369    HD1  HIS  53           HND      HIS  53   6.737   0.498   1.813
  370    HD2  HIS  53           HD       HIS  53   4.015   0.692   4.997
  371    HE1  HIS  53           HE       HIS  53   5.002  -1.357   1.434
  372    H    LYS  54           H        LYS  54   6.648   5.063   5.295
  373    HA   LYS  54           HA       LYS  54   9.194   5.268   6.681
  374   1HB   LYS  54          HB2       LYS  54   7.225   7.335   5.733
  375   2HB   LYS  54          HB3       LYS  54   8.752   7.634   6.568
  376   1HG   LYS  54          HG2       LYS  54   9.799   6.049   4.787
  377   2HG   LYS  54          HG3       LYS  54   8.382   6.517   3.825
  378   1HD   LYS  54          HD2       LYS  54   8.921   8.926   4.398
  379   2HD   LYS  54          HD3       LYS  54  10.338   8.343   5.291
  380   1HE   LYS  54          HE2       LYS  54   9.917   7.916   2.290
  381   2HE   LYS  54          HE3       LYS  54  10.802   9.293   2.964
  382   1HZ   LYS  54          HZ1       LYS  54  12.325   7.762   4.007
  383   2HZ   LYS  54          HZ2       LYS  54  11.531   6.465   3.388
  384   3HZ   LYS  54          HZ3       LYS  54  12.310   7.515   2.384
  385    H    SER  55           H        SER  55   5.787   5.764   7.777
  386    HA   SER  55           HA       SER  55   6.577   7.080  10.267
  387   1HB   SER  55          HB2       SER  55   4.369   7.430   9.219
  388   2HB   SER  55          HB3       SER  55   3.996   5.707   9.393
  389    HG   SER  55           HG       SER  55   4.650   7.390  11.595
  390    H    ASN  56           H        ASN  56   5.917   3.848   9.083
  391    HA   ASN  56           HA       ASN  56   6.482   2.563  11.670
  392   1HB   ASN  56          HB2       ASN  56   4.640   2.059   9.720
  393   2HB   ASN  56          HB3       ASN  56   5.937   1.039   9.113
  394   1HD2  ASN  56          HD2       ASN  56   3.764   1.785  11.729
  395   2HD2  ASN  56          HD2       ASN  56   3.932   0.268  12.623
  396    H    ASN  57           H        ASN  57   7.569   0.179  10.404
  397    HA   ASN  57           HA       ASN  57  10.338   1.105   9.621
  398   1HB   ASN  57          HB2       ASN  57   9.473  -1.395  11.127
  399   2HB   ASN  57          HB3       ASN  57  11.114  -1.034  10.569
  400   1HD2  ASN  57          HD2       ASN  57   8.567  -0.014  12.863
  401   2HD2  ASN  57          HD2       ASN  57   9.683   0.911  13.864
  402    H    GLY  58           H        GLY  58   8.649   1.188   7.567
  403   1HA   GLY  58          HA2       GLY  58   8.168  -1.392   6.373
  404   2HA   GLY  58          HA3       GLY  58   7.893   0.174   5.626
  405    HA   PRO  59           HA       PRO  59  11.753  -2.149   3.965
  406   1HB   PRO  59          HB2       PRO  59  10.839  -3.258   1.661
  407   2HB   PRO  59          HB3       PRO  59  10.610  -4.023   3.252
  408   1HG   PRO  59          HG2       PRO  59   8.612  -2.256   1.802
  409   2HG   PRO  59          HG3       PRO  59   8.349  -3.904   2.448
  410   1HD   PRO  59          HD2       PRO  59   7.670  -1.749   3.925
  411   2HD   PRO  59          HD3       PRO  59   8.487  -3.140   4.699
  412    H    THR  60           H        THR  60  12.173   0.125   3.984
  413    HA   THR  60           HA       THR  60  11.345   1.933   1.965
  414    HB   THR  60           HB       THR  60  13.641   2.139   3.951
  415    HG1  THR  60           HG1      THR  60  11.515   1.755   4.847
  416   1HG2  THR  60          HG2       THR  60  13.809   3.967   2.278
  417   2HG2  THR  60          HG2       THR  60  12.065   4.283   2.451
  418   3HG2  THR  60          HG2       THR  60  13.178   4.575   3.811
  419    H    LYS  61           H        LYS  61  11.869   0.414   0.179
  420    HA   LYS  61           HA       LYS  61  14.114   1.444  -1.378
  421   1HB   LYS  61          HB2       LYS  61  15.152  -0.764  -1.742
  422   2HB   LYS  61          HB3       LYS  61  15.205  -0.307  -0.040
  423   1HG   LYS  61          HG2       LYS  61  12.856  -1.721  -0.063
  424   2HG   LYS  61          HG3       LYS  61  13.712  -2.526  -1.377
  425   1HD   LYS  61          HD2       LYS  61  14.778  -2.120   1.453
  426   2HD   LYS  61          HD3       LYS  61  13.951  -3.575   0.876
  427   1HE   LYS  61          HE2       LYS  61  15.718  -3.883  -0.874
  428   2HE   LYS  61          HE3       LYS  61  16.586  -2.480  -0.225
  429   1HZ   LYS  61          HZ1       LYS  61  16.778  -3.668   1.874
  430   2HZ   LYS  61          HZ2       LYS  61  15.973  -4.963   1.262
  431   3HZ   LYS  61          HZ3       LYS  61  17.445  -4.553   0.660
  432    H    CYS  62           HN       CYS  62  13.618   1.226  -3.649
  433    HA   CYS  62           HA       CYS  62  10.966   0.955  -4.442
  434   1HB   CYS  62          HB2       CYS  62  13.317   0.178  -6.168
  435   2HB   CYS  62          HB3       CYS  62  11.759   0.804  -6.701
  436    H    GLY  63           H        GLY  63  13.468  -1.536  -4.643
  437   1HA   GLY  63          HA2       GLY  63  11.885  -3.669  -5.568
  438   2HA   GLY  63          HA3       GLY  63  13.425  -3.819  -4.721
  439    H    GLY  64           H        GLY  64  11.698  -2.200  -2.478
  440   1HA   GLY  64          HA2       GLY  64  10.967  -4.515  -0.859
  441   2HA   GLY  64          HA3       GLY  64  10.740  -2.787  -0.513
  442    H    CYS  65           HN       CYS  65   9.442  -2.359  -3.187
  443    HA   CYS  65           HA       CYS  65   6.747  -3.588  -2.639
  444   1HB   CYS  65          HB2       CYS  65   7.580  -1.001  -3.944
  445   2HB   CYS  65          HB3       CYS  65   5.958  -1.686  -4.062
  446    H    HIS  66           HN       HIS  66   8.889  -2.499  -5.340
  447    HA   HIS  66           HA       HIS  66   7.308  -4.077  -7.229
  448   1HB   HIS  66          HB2       HIS  66   9.859  -2.465  -7.552
  449   2HB   HIS  66          HB3       HIS  66   8.937  -3.163  -8.844
  450    HD1  HIS  66           HND      HIS  66   6.393  -2.346  -9.133
  451    HD2  HIS  66           HD       HIS  66   8.942  -0.028  -6.743
  452    HE1  HIS  66           HE       HIS  66   5.323  -0.035  -8.958
  453    H    ILE  67           H        ILE  67   7.563  -6.243  -7.567
  454    HA   ILE  67           HA       ILE  67   9.732  -7.825  -6.693
  455    HB   ILE  67           HB       ILE  67   8.018  -8.243  -9.173
  456   1HG1  ILE  67          HG1       ILE  67   6.569  -8.067  -7.250
  457   2HG1  ILE  67          HG1       ILE  67   6.649  -9.730  -7.791
  458   1HG2  ILE  67          HG2       ILE  67   9.920  -9.706  -9.339
  459   2HG2  ILE  67          HG2       ILE  67   9.799 -10.174  -7.632
  460   3HG2  ILE  67          HG2       ILE  67   8.556 -10.681  -8.795
  461   1HD1  ILE  67          HD1       ILE  67   6.678  -9.645  -5.366
  462   2HD1  ILE  67          HD1       ILE  67   8.254 -10.232  -5.916
  463   3HD1  ILE  67          HD1       ILE  67   8.065  -8.552  -5.354
  464    H    LYS  68           H        LYS  68  11.786  -8.306  -7.380
  465    HA   LYS  68           HA       LYS  68  12.794  -7.726  -9.994
  466   1HB   LYS  68          HB2       LYS  68  14.398  -6.024  -9.361
  467   2HB   LYS  68          HB3       LYS  68  12.764  -5.443  -9.087
  468   1HG   LYS  68          HG2       LYS  68  13.188  -5.043  -6.960
  469   2HG   LYS  68          HG3       LYS  68  13.531  -6.736  -6.665
  470   1HD   LYS  68          HD2       LYS  68  15.573  -4.665  -7.604
  471   2HD   LYS  68          HD3       LYS  68  15.394  -5.271  -5.943
  472   1HE   LYS  68          HE2       LYS  68  15.860  -7.611  -6.781
  473   2HE   LYS  68          HE3       LYS  68  16.174  -6.937  -8.390
  474   1HZ   LYS  68          HZ1       LYS  68  17.709  -6.299  -5.978
  475   2HZ   LYS  68          HZ2       LYS  68  18.173  -7.280  -7.217
  476   3HZ   LYS  68          HZ3       LYS  68  17.963  -5.671  -7.485
  477    HHA  HEC 130           HCM      HEC  30 -10.507  -0.871  -2.971
  478    HHB  HEC 130           HDM      HEC  30 -13.328  -2.741   2.329
  479    HHC  HEC 130           HAM      HEC  30  -7.588  -3.662   4.673
  480    HHD  HEC 130           HBM      HEC  30  -5.502   0.339   0.458
  481   1HMA  HEC 130          HM8       HEC  30 -14.997  -1.421   0.872
  482   2HMA  HEC 130          HM8       HEC  30 -15.214  -1.803  -0.830
  483   3HMA  HEC 130          HM8       HEC  30 -14.836  -3.103   0.309
  484   1HAA  HEC 130          HP7       HEC  30 -12.649  -0.519  -3.276
  485   2HAA  HEC 130          HP7       HEC  30 -14.064  -0.353  -2.262
  486   1HBA  HEC 130          HP7       HEC  30 -14.404  -2.922  -2.650
  487   2HBA  HEC 130          HP7       HEC  30 -13.237  -2.713  -3.953
  488   1HMB  HEC 130          HM1       HEC  30 -12.732  -4.491   5.617
  489   2HMB  HEC 130          HM1       HEC  30 -13.463  -3.051   4.914
  490   3HMB  HEC 130          HM1       HEC  30 -13.396  -4.570   3.985
  491    HAB  HEC 130           HT2      HEC  30  -8.891  -4.324   6.149
  492   1HBB  HEC 130          HT2       HEC  30 -11.192  -6.211   5.516
  493   2HBB  HEC 130          HT2       HEC  30  -9.500  -6.409   5.018
  494   3HBB  HEC 130          HT2       HEC  30  -9.947  -6.488   6.737
  495   1HMC  HEC 130          HM3       HEC  30  -5.568  -2.775   5.499
  496   2HMC  HEC 130          HM3       HEC  30  -4.883  -3.846   4.236
  497   3HMC  HEC 130          HM3       HEC  30  -4.098  -2.313   4.652
  498    HAC  HEC 130           HT4      HEC  30  -4.281   0.610   2.098
  499   1HBC  HEC 130          HT4       HEC  30  -2.913  -1.149   1.366
  500   2HBC  HEC 130          HT4       HEC  30  -2.089  -0.264   2.664
  501   3HBC  HEC 130          HT4       HEC  30  -2.784  -1.862   2.986
  502   1HMD  HEC 130          HM5       HEC  30  -5.513   1.752  -1.959
  503   2HMD  HEC 130          HM5       HEC  30  -4.761   0.172  -1.607
  504   3HMD  HEC 130          HM5       HEC  30  -5.449   0.475  -3.195
  505   1HAD  HEC 130          HP6       HEC  30  -7.304   0.752  -4.304
  506   2HAD  HEC 130          HP6       HEC  30  -9.023   0.644  -4.186
  507   1HBD  HEC 130          HP6       HEC  30  -8.778  -1.909  -4.301
  508   2HBD  HEC 130          HP6       HEC  30  -7.063  -1.627  -4.603
  509    HHA  HEC 153           HCM      HEC  53   5.796  -4.684   4.967
  510    HHB  HEC 153           HDM      HEC  53   2.989  -3.770  -0.522
  511    HHC  HEC 153           HAM      HEC  53   0.006   1.124   1.864
  512    HHD  HEC 153           HBM      HEC  53   1.883  -0.568   7.565
  513   1HMA  HEC 153          HM8       HEC  53   5.644  -6.368   0.030
  514   2HMA  HEC 153          HM8       HEC  53   3.962  -6.063  -0.422
  515   3HMA  HEC 153          HM8       HEC  53   5.240  -4.904  -0.876
  516   1HAA  HEC 153          HP7       HEC  53   6.930  -5.896   3.542
  517   2HAA  HEC 153          HP7       HEC  53   7.028  -6.157   1.817
  518   1HBA  HEC 153          HP7       HEC  53   5.002  -7.660   1.979
  519   2HBA  HEC 153          HP7       HEC  53   5.071  -7.464   3.732
  520   1HMB  HEC 153          HM1       HEC  53   1.023  -2.468  -2.354
  521   2HMB  HEC 153          HM1       HEC  53   1.819  -0.876  -2.542
  522   3HMB  HEC 153          HM1       HEC  53   2.775  -2.278  -2.125
  523    HAB  HEC 153           HT2      HEC  53  -1.000   0.474   0.027
  524   1HBB  HEC 153          HT2       HEC  53  -0.983  -1.116  -1.914
  525   2HBB  HEC 153          HT2       HEC  53  -1.661   0.494  -2.185
  526   3HBB  HEC 153          HT2       HEC  53  -0.067   0.128  -2.804
  527   1HMC  HEC 153          HM3       HEC  53  -0.581   3.188   4.338
  528   2HMC  HEC 153          HM3       HEC  53  -1.329   2.130   3.146
  529   3HMC  HEC 153          HM3       HEC  53  -1.861   2.040   4.790
  530    HAC  HEC 153           HT4      HEC  53   0.162   0.757   7.859
  531   1HBC  HEC 153          HT4       HEC  53  -1.050   3.223   6.595
  532   2HBC  HEC 153          HT4       HEC  53  -1.922   1.725   6.994
  533   3HBC  HEC 153          HT4       HEC  53  -1.142   2.676   8.257
  534   1HMD  HEC 153          HM5       HEC  53   3.915  -1.084   9.075
  535   2HMD  HEC 153          HM5       HEC  53   2.541  -2.200   9.251
  536   3HMD  HEC 153          HM5       HEC  53   4.195  -2.760   9.545
  537   1HAD  HEC 153          HP6       HEC  53   5.424  -5.295   7.114
  538   2HAD  HEC 153          HP6       HEC  53   5.188  -4.488   8.642
  539   1HBD  HEC 153          HP6       HEC  53   7.112  -3.182   8.431
  540   2HBD  HEC 153          HP6       HEC  53   7.056  -3.240   6.668
  541    HHA  HEC 166           HCM      HEC  66   3.618   2.373 -10.588
  542    HHB  HEC 166           HDM      HEC  66   9.782   3.208 -10.346
  543    HHC  HEC 166           HAM      HEC  66   9.568   2.834  -4.140
  544    HHD  HEC 166           HBM      HEC  66   3.703   0.904  -4.518
  545   1HMA  HEC 166          HM8       HEC  66   9.270   2.790 -12.513
  546   2HMA  HEC 166          HM8       HEC  66   7.861   3.042 -13.533
  547   3HMA  HEC 166          HM8       HEC  66   8.506   4.393 -12.585
  548   1HAA  HEC 166          HP7       HEC  66   5.653   3.548 -13.439
  549   2HAA  HEC 166          HP7       HEC  66   4.215   3.065 -12.558
  550   1HBA  HEC 166          HP7       HEC  66   4.871   0.705 -12.753
  551   2HBA  HEC 166          HP7       HEC  66   6.301   1.169 -13.672
  552   1HMB  HEC 166          HM1       HEC  66  12.783   3.735  -8.214
  553   2HMB  HEC 166          HM1       HEC  66  12.012   2.819  -9.498
  554   3HMB  HEC 166          HM1       HEC  66  11.696   4.564  -9.332
  555    HAB  HEC 166           HT2      HEC  66  11.499   3.430  -4.537
  556   1HBB  HEC 166          HT2       HEC  66  12.643   5.314  -6.612
  557   2HBB  HEC 166          HT2       HEC  66  11.423   5.732  -5.400
  558   3HBB  HEC 166          HT2       HEC  66  13.049   5.226  -4.894
  559   1HMC  HEC 166          HM3       HEC  66   7.815   1.347  -1.272
  560   2HMC  HEC 166          HM3       HEC  66   9.138   1.055  -2.384
  561   3HMC  HEC 166          HM3       HEC  66   8.694   2.723  -1.939
  562    HAC  HEC 166           HT4      HEC  66   4.491  -0.014  -2.781
  563   1HBC  HEC 166          HT4       HEC  66   4.351   2.115  -1.513
  564   2HBC  HEC 166          HT4       HEC  66   4.327   0.644  -0.507
  565   3HBC  HEC 166          HT4       HEC  66   5.778   1.648  -0.583
  566   1HMD  HEC 166          HM5       HEC  66   1.428   1.478  -5.040
  567   2HMD  HEC 166          HM5       HEC  66   0.548   0.953  -6.464
  568   3HMD  HEC 166          HM5       HEC  66   1.702  -0.131  -5.669
  569   1HAD  HEC 166          HP6       HEC  66   0.566   2.320  -8.769
  570   2HAD  HEC 166          HP6       HEC  66   0.823   0.603  -8.584
  571   1HBD  HEC 166          HP6       HEC  66   0.382   0.694 -10.730
  572   2HBD  HEC 166          HP6       HEC  66   2.122   0.545 -10.672
  Start of MODEL   15
    1   1H    ALA   1          H1        ALA   1 -10.987  -8.570  -0.874
    2   2H    ALA   1          H2        ALA   1 -12.155  -9.206  -1.835
    3   3H    ALA   1          H3        ALA   1 -11.036 -10.181  -1.094
    4    HA   ALA   1           HA       ALA   1 -10.778  -9.697  -3.556
    5   1HB   ALA   1          HB1       ALA   1  -9.576  -7.663  -4.110
    6   2HB   ALA   1          HB2       ALA   1 -11.114  -7.248  -3.335
    7   3HB   ALA   1          HB3       ALA   1  -9.597  -7.134  -2.420
    8    H    ASP   2           H        ASP   2  -8.775  -9.138  -0.651
    9    HA   ASP   2           HA       ASP   2  -7.047 -10.297   0.160
   10   1HB   ASP   2          HB2       ASP   2  -8.521 -12.428  -1.437
   11   2HB   ASP   2          HB3       ASP   2  -7.462 -12.711  -0.056
   12    H    VAL   3           H        VAL   3  -5.228  -9.389  -0.646
   13    HA   VAL   3           HA       VAL   3  -3.309  -9.091  -1.757
   14    HB   VAL   3           HB       VAL   3  -3.585 -12.056  -2.193
   15   1HG1  VAL   3          HG1       VAL   3  -1.235 -10.183  -2.706
   16   2HG1  VAL   3          HG1       VAL   3  -1.062 -11.945  -2.555
   17   3HG1  VAL   3          HG1       VAL   3  -1.995 -11.267  -3.889
   18   1HG2  VAL   3          HG2       VAL   3  -1.942 -10.418  -0.219
   19   2HG2  VAL   3          HG2       VAL   3  -3.419 -11.330   0.170
   20   3HG2  VAL   3          HG2       VAL   3  -1.963 -12.187  -0.350
   21    H    VAL   4           H        VAL   4  -4.060  -7.616  -3.201
   22    HA   VAL   4           HA       VAL   4  -5.578  -8.445  -5.577
   23    HB   VAL   4           HB       VAL   4  -4.385  -5.713  -5.008
   24   1HG1  VAL   4          HG1       VAL   4  -6.753  -6.580  -6.709
   25   2HG1  VAL   4          HG1       VAL   4  -6.212  -4.910  -6.445
   26   3HG1  VAL   4          HG1       VAL   4  -5.176  -6.040  -7.324
   27   1HG2  VAL   4          HG2       VAL   4  -6.601  -5.091  -4.080
   28   2HG2  VAL   4          HG2       VAL   4  -7.095  -6.800  -4.149
   29   3HG2  VAL   4          HG2       VAL   4  -5.771  -6.287  -3.082
   30    H    THR   5           H        THR   5  -2.388  -7.073  -4.913
   31    HA   THR   5           HA       THR   5  -0.546  -6.756  -6.081
   32    HB   THR   5           HB       THR   5  -1.354  -9.399  -6.986
   33    HG1  THR   5           HG1      THR   5   1.153  -8.090  -6.833
   34   1HG2  THR   5          HG2       THR   5   0.018  -9.590  -8.990
   35   2HG2  THR   5          HG2       THR   5  -1.325  -8.479  -9.295
   36   3HG2  THR   5          HG2       THR   5   0.322  -7.850  -8.997
   37    H    TYR   6           H        TYR   6   0.318  -5.399  -7.554
   38    HA   TYR   6           HA       TYR   6  -1.603  -4.394  -9.677
   39   1HB   TYR   6          HB2       TYR   6   0.072  -2.775  -7.760
   40   2HB   TYR   6          HB3       TYR   6  -0.088  -2.333  -9.412
   41    HD1  TYR   6           HD1      TYR   6  -1.645  -0.427  -9.350
   42    HD2  TYR   6           HD2      TYR   6  -2.485  -3.902  -6.935
   43    HE1  TYR   6           HE1      TYR   6  -3.735   0.630  -8.522
   44    HE2  TYR   6           HE2      TYR   6  -4.566  -2.848  -6.147
   45    HH   TYR   6           HH       TYR   6  -5.607   0.426  -6.974
   46    H    GLU   7           H        GLU   7  -0.932  -4.767 -11.636
   47    HA   GLU   7           HA       GLU   7   1.929  -5.340 -12.105
   48   1HB   GLU   7          HB2       GLU   7  -0.469  -6.408 -13.620
   49   2HB   GLU   7          HB3       GLU   7   1.217  -6.947 -13.714
   50   1HG   GLU   7          HG2       GLU   7   0.858  -7.266 -11.104
   51   2HG   GLU   7          HG3       GLU   7  -0.852  -7.349 -11.527
   52    H    ASN   8           H        ASN   8   3.001  -3.799 -13.033
   53    HA   ASN   8           HA       ASN   8   1.658  -1.988 -14.987
   54   1HB   ASN   8          HB2       ASN   8   3.585  -0.485 -14.395
   55   2HB   ASN   8          HB3       ASN   8   2.359  -0.752 -13.163
   56   1HD2  ASN   8          HD2       ASN   8   2.867  -1.888 -11.197
   57   2HD2  ASN   8          HD2       ASN   8   4.540  -2.296 -10.825
   58    H    ALA   9           H        ALA   9   5.117  -2.612 -14.638
   59    HA   ALA   9           HA       ALA   9   5.597  -3.992 -17.110
   60   1HB   ALA   9          HB1       ALA   9   4.779  -1.917 -18.139
   61   2HB   ALA   9          HB2       ALA   9   5.792  -0.954 -17.041
   62   3HB   ALA   9          HB3       ALA   9   6.543  -1.971 -18.299
   63    H    ALA  10           H        ALA  10   6.761  -1.509 -14.805
   64    HA   ALA  10           HA       ALA  10   9.584  -2.155 -15.170
   65   1HB   ALA  10          HB1       ALA  10   8.134  -0.455 -13.092
   66   2HB   ALA  10          HB2       ALA  10   9.889  -0.498 -13.371
   67   3HB   ALA  10          HB3       ALA  10   8.804   0.120 -14.634
   68    H    GLY  11           H        GLY  11   7.067  -2.856 -12.787
   69   1HA   GLY  11          HA2       GLY  11   8.221  -5.317 -11.749
   70   2HA   GLY  11          HA3       GLY  11   8.613  -3.945 -10.716
   71    H    ASN  12           H        ASN  12   6.299  -6.348 -11.088
   72    HA   ASN  12           HA       ASN  12   3.974  -4.661 -10.493
   73   1HB   ASN  12          HB2       ASN  12   2.768  -6.710 -10.106
   74   2HB   ASN  12          HB3       ASN  12   3.507  -6.656 -11.717
   75   1HD2  ASN  12          HD2       ASN  12   2.731  -9.209 -10.873
   76   2HD2  ASN  12          HD2       ASN  12   4.202 -10.078 -10.467
   77    H    VAL  13           H        VAL  13   2.894  -4.741  -8.490
   78    HA   VAL  13           HA       VAL  13   4.633  -5.381  -6.122
   79    HB   VAL  13           HB       VAL  13   4.458  -2.995  -6.366
   80   1HG1  VAL  13          HG1       VAL  13   2.343  -1.814  -6.279
   81   2HG1  VAL  13          HG1       VAL  13   2.386  -2.845  -7.707
   82   3HG1  VAL  13          HG1       VAL  13   1.458  -3.352  -6.258
   83   1HG2  VAL  13          HG2       VAL  13   2.507  -3.753  -4.139
   84   2HG2  VAL  13          HG2       VAL  13   4.273  -3.902  -3.997
   85   3HG2  VAL  13          HG2       VAL  13   3.520  -2.319  -4.247
   86    H    THR  14           H        THR  14   3.457  -5.852  -4.210
   87    HA   THR  14           HA       THR  14   1.101  -7.641  -4.602
   88    HB   THR  14           HB       THR  14   3.501  -7.946  -2.775
   89    HG1  THR  14           HG1      THR  14   2.323  -9.439  -4.887
   90   1HG2  THR  14          HG2       THR  14   0.936  -9.592  -2.973
   91   2HG2  THR  14          HG2       THR  14   2.430 -10.140  -2.194
   92   3HG2  THR  14          HG2       THR  14   1.544  -8.775  -1.513
   93    H    PHE  15           H        PHE  15   0.000  -5.672  -4.494
   94    HA   PHE  15           HA       PHE  15  -0.501  -4.248  -2.098
   95   1HB   PHE  15          HB2       PHE  15  -1.480  -4.212  -4.677
   96   2HB   PHE  15          HB3       PHE  15  -2.867  -4.832  -3.801
   97    HD1  PHE  15           HD1      PHE  15  -3.094  -3.472  -1.328
   98    HD2  PHE  15           HD2      PHE  15  -1.614  -1.957  -5.093
   99    HE1  PHE  15           HE1      PHE  15  -3.587  -1.159  -0.606
  100    HE2  PHE  15           HE2      PHE  15  -2.355   0.292  -4.476
  101    HZ   PHE  15           HZ       PHE  15  -3.059   0.747  -2.132
  102    H    ASP  16           H        ASP  16  -1.009  -5.109  -0.130
  103    HA   ASP  16           HA       ASP  16  -1.866  -7.926  -0.084
  104   1HB   ASP  16          HB2       ASP  16  -0.419  -7.587   2.141
  105   2HB   ASP  16          HB3       ASP  16   0.332  -7.825   0.570
  106    H    HIS  17           HN       HIS  17  -3.964  -6.759  -0.318
  107    HA   HIS  17           HA       HIS  17  -4.989  -4.903   1.380
  108   1HB   HIS  17          HB2       HIS  17  -5.795  -6.060  -0.862
  109   2HB   HIS  17          HB3       HIS  17  -6.743  -7.098   0.168
  110    HD1  HIS  17           HND      HIS  17  -9.072  -6.138  -0.698
  111    HD2  HIS  17           HD       HIS  17  -6.434  -3.299   0.914
  112    HE1  HIS  17           HE       HIS  17 -10.464  -4.103  -0.148
  113    H    LYS  18           H        LYS  18  -5.320  -8.346   1.596
  114    HA   LYS  18           HA       LYS  18  -6.861  -8.259   4.088
  115   1HB   LYS  18          HB2       LYS  18  -7.327  -9.756   2.228
  116   2HB   LYS  18          HB3       LYS  18  -5.895 -10.728   2.599
  117   1HG   LYS  18          HG2       LYS  18  -7.981 -10.098   4.742
  118   2HG   LYS  18          HG3       LYS  18  -8.302 -11.352   3.569
  119   1HD   LYS  18          HD2       LYS  18  -5.621 -11.615   4.845
  120   2HD   LYS  18          HD3       LYS  18  -6.985 -11.705   5.963
  121   1HE   LYS  18          HE2       LYS  18  -8.048 -13.465   4.656
  122   2HE   LYS  18          HE3       LYS  18  -6.773 -13.391   3.428
  123   1HZ   LYS  18          HZ1       LYS  18  -5.203 -14.115   5.095
  124   2HZ   LYS  18          HZ2       LYS  18  -6.278 -13.996   6.287
  125   3HZ   LYS  18          HZ3       LYS  18  -6.472 -15.172   5.143
  126    H    ALA  19           H        ALA  19  -3.595  -9.446   3.134
  127    HA   ALA  19           HA       ALA  19  -2.789 -10.415   5.681
  128   1HB   ALA  19          HB1       ALA  19  -1.128  -9.166   3.466
  129   2HB   ALA  19          HB2       ALA  19  -0.501 -10.168   4.788
  130   3HB   ALA  19          HB3       ALA  19  -1.589 -10.881   3.573
  131    H    HIS  20           HN       HIS  20  -2.513  -7.076   4.323
  132    HA   HIS  20           HA       HIS  20  -1.362  -5.948   6.734
  133   1HB   HIS  20          HB2       HIS  20  -2.907  -4.820   4.388
  134   2HB   HIS  20          HB3       HIS  20  -2.569  -3.854   5.828
  135    HD1  HIS  20           HND      HIS  20  -0.047  -6.330   4.456
  136    HD2  HIS  20           HD       HIS  20  -0.726  -2.200   4.802
  137    HE1  HIS  20           HE       HIS  20   2.112  -5.236   3.919
  138    H    ALA  21           H        ALA  21  -4.804  -6.195   5.625
  139    HA   ALA  21           HA       ALA  21  -6.017  -5.012   7.824
  140   1HB   ALA  21          HB1       ALA  21  -7.988  -6.209   7.254
  141   2HB   ALA  21          HB2       ALA  21  -7.152  -5.775   5.738
  142   3HB   ALA  21          HB3       ALA  21  -7.101  -7.440   6.347
  143    H    GLU  22           H        GLU  22  -4.976  -8.432   7.573
  144    HA   GLU  22           HA       GLU  22  -6.018  -9.487   9.886
  145   1HB   GLU  22          HB2       GLU  22  -3.314  -9.910   8.575
  146   2HB   GLU  22          HB3       GLU  22  -3.920 -10.970   9.835
  147   1HG   GLU  22          HG2       GLU  22  -5.840 -10.508   7.590
  148   2HG   GLU  22          HG3       GLU  22  -4.351 -11.354   7.153
  149    H    LYS  23           H        LYS  23  -3.292  -7.186   9.690
  150    HA   LYS  23           HA       LYS  23  -3.036  -7.129  12.667
  151   1HB   LYS  23          HB2       LYS  23  -1.414  -5.924  10.378
  152   2HB   LYS  23          HB3       LYS  23  -1.191  -5.555  12.085
  153   1HG   LYS  23          HG2       LYS  23  -0.797  -8.016  12.509
  154   2HG   LYS  23          HG3       LYS  23  -0.859  -8.265  10.749
  155   1HD   LYS  23          HD2       LYS  23   1.020  -6.587  10.493
  156   2HD   LYS  23          HD3       LYS  23   1.039  -6.377  12.246
  157   1HE   LYS  23          HE2       LYS  23   2.832  -7.843  11.784
  158   2HE   LYS  23          HE3       LYS  23   1.560  -8.867  12.473
  159   1HZ   LYS  23          HZ1       LYS  23   2.560  -9.843  10.486
  160   2HZ   LYS  23          HZ2       LYS  23   0.994  -9.440  10.121
  161   3HZ   LYS  23          HZ3       LYS  23   2.247  -8.497   9.626
  162    H    LEU  24           H        LEU  24  -3.485  -4.980   9.861
  163    HA   LEU  24           HA       LEU  24  -3.800  -2.624  11.430
  164   1HB   LEU  24          HB2       LEU  24  -4.385  -3.150   8.486
  165   2HB   LEU  24          HB3       LEU  24  -4.211  -1.584   9.260
  166    HG   LEU  24           HG       LEU  24  -2.009  -3.582   8.762
  167   1HD1  LEU  24          HD1       LEU  24  -2.348  -0.651   7.997
  168   2HD1  LEU  24          HD1       LEU  24  -1.125  -1.786   7.391
  169   3HD1  LEU  24          HD1       LEU  24  -2.833  -1.981   6.948
  170   1HD2  LEU  24          HD2       LEU  24  -0.509  -1.859   9.804
  171   2HD2  LEU  24          HD2       LEU  24  -1.946  -1.027  10.431
  172   3HD2  LEU  24          HD2       LEU  24  -1.547  -2.673  10.982
  173    H    GLY  25           H        GLY  25  -6.250  -4.861  10.340
  174   1HA   GLY  25          HA2       GLY  25  -8.498  -4.899  10.675
  175   2HA   GLY  25          HA3       GLY  25  -8.238  -3.675  11.916
  176    H    CYS  26           HN       CYS  26  -7.842  -3.461   8.419
  177    HA   CYS  26           HA       CYS  26  -8.684  -2.202   6.747
  178   1HB   CYS  26          HB2       CYS  26 -11.238  -2.087   8.299
  179   2HB   CYS  26          HB3       CYS  26 -11.017  -1.874   6.554
  180    H    ASP  27           H        ASP  27 -10.097  -0.708   9.689
  181    HA   ASP  27           HA       ASP  27 -10.573   1.820   8.942
  182   1HB   ASP  27          HB2       ASP  27  -9.519   0.692  11.567
  183   2HB   ASP  27          HB3       ASP  27 -10.131   2.343  11.384
  184    H    ALA  28           H        ALA  28  -7.463   0.545   9.996
  185    HA   ALA  28           HA       ALA  28  -5.718   2.644  10.116
  186   1HB   ALA  28          HB1       ALA  28  -5.170   0.289  10.408
  187   2HB   ALA  28          HB2       ALA  28  -5.499  -0.007   8.676
  188   3HB   ALA  28          HB3       ALA  28  -4.084   0.972   9.173
  189    H    CYS  29           HN       CYS  29  -7.179   1.375   7.115
  190    HA   CYS  29           HA       CYS  29  -5.634   3.347   5.441
  191   1HB   CYS  29          HB2       CYS  29  -6.903   0.681   4.800
  192   2HB   CYS  29          HB3       CYS  29  -6.147   1.794   3.645
  193    H    HIS  30           HN       HIS  30  -8.578   3.020   6.933
  194    HA   HIS  30           HA       HIS  30 -10.212   4.264   4.816
  195   1HB   HIS  30          HB2       HIS  30 -10.557   1.424   5.890
  196   2HB   HIS  30          HB3       HIS  30 -11.807   2.310   5.039
  197    HD1  HIS  30           HND      HIS  30 -10.718   3.123   2.409
  198    HD2  HIS  30           HD       HIS  30  -9.597  -0.379   4.385
  199    HE1  HIS  30           HE       HIS  30 -10.183   1.358   0.570
  200    H    GLU  31           H        GLU  31 -10.253   5.928   6.426
  201    HA   GLU  31           HA       GLU  31 -11.425   5.401   8.919
  202   1HB   GLU  31          HB2       GLU  31 -11.074   7.956   7.326
  203   2HB   GLU  31          HB3       GLU  31 -11.614   7.922   9.017
  204   1HG   GLU  31          HG2       GLU  31  -9.514   6.737   9.665
  205   2HG   GLU  31          HG3       GLU  31  -8.930   6.858   7.998
  206    H    GLY  32           H        GLY  32 -13.223   4.068   8.108
  207   1HA   GLY  32          HA2       GLY  32 -15.565   3.825   8.158
  208   2HA   GLY  32          HA3       GLY  32 -15.791   5.558   7.878
  209    H    THR  33           H        THR  33 -17.299   3.852   6.473
  210    HA   THR  33           HA       THR  33 -17.829   2.919   4.405
  211    HB   THR  33           HB       THR  33 -17.201   5.816   3.793
  212    HG1  THR  33           HG1      THR  33 -19.544   4.648   4.871
  213   1HG2  THR  33          HG2       THR  33 -19.329   3.883   2.718
  214   2HG2  THR  33          HG2       THR  33 -19.265   5.626   2.398
  215   3HG2  THR  33          HG2       THR  33 -17.991   4.572   1.776
  216    HA   PRO  34           HA       PRO  34 -13.526   2.417   2.734
  217   1HB   PRO  34          HB2       PRO  34 -13.489  -0.271   2.402
  218   2HB   PRO  34          HB3       PRO  34 -13.174   0.500   3.978
  219   1HG   PRO  34          HG2       PRO  34 -15.805  -0.640   2.978
  220   2HG   PRO  34          HG3       PRO  34 -15.004  -0.966   4.545
  221   1HD   PRO  34          HD2       PRO  34 -16.958   0.875   4.336
  222   2HD   PRO  34          HD3       PRO  34 -15.519   1.232   5.340
  223    H    ALA  35           H        ALA  35 -12.983   2.464   0.601
  224    HA   ALA  35           HA       ALA  35 -14.712   1.446  -1.538
  225   1HB   ALA  35          HB1       ALA  35 -15.856   3.533  -0.778
  226   2HB   ALA  35          HB2       ALA  35 -14.346   4.434  -1.005
  227   3HB   ALA  35          HB3       ALA  35 -15.181   3.728  -2.406
  228    H    LYS  36           H        LYS  36 -13.732   2.612  -3.714
  229    HA   LYS  36           HA       LYS  36 -10.917   1.910  -3.676
  230   1HB   LYS  36          HB2       LYS  36 -12.727   2.868  -5.885
  231   2HB   LYS  36          HB3       LYS  36 -10.964   2.716  -6.049
  232   1HG   LYS  36          HG2       LYS  36 -11.144   0.330  -5.254
  233   2HG   LYS  36          HG3       LYS  36 -12.901   0.442  -5.478
  234   1HD   LYS  36          HD2       LYS  36 -10.728   0.970  -7.574
  235   2HD   LYS  36          HD3       LYS  36 -11.605  -0.558  -7.402
  236   1HE   LYS  36          HE2       LYS  36 -13.752   0.580  -7.902
  237   2HE   LYS  36          HE3       LYS  36 -12.918   2.135  -8.051
  238   1HZ   LYS  36          HZ1       LYS  36 -13.284   1.118 -10.195
  239   2HZ   LYS  36          HZ2       LYS  36 -11.674   1.255  -9.888
  240   3HZ   LYS  36          HZ3       LYS  36 -12.412  -0.209  -9.763
  241    H    ILE  37           H        ILE  37  -9.393   3.168  -3.026
  242    HA   ILE  37           HA       ILE  37  -9.647   6.044  -2.862
  243    HB   ILE  37           HB       ILE  37  -7.280   4.240  -2.183
  244   1HG1  ILE  37          HG1       ILE  37  -9.666   5.150  -0.535
  245   2HG1  ILE  37          HG1       ILE  37  -9.202   3.490  -0.923
  246   1HG2  ILE  37          HG2       ILE  37  -6.544   6.074  -0.696
  247   2HG2  ILE  37          HG2       ILE  37  -6.595   6.601  -2.358
  248   3HG2  ILE  37          HG2       ILE  37  -7.906   7.073  -1.252
  249   1HD1  ILE  37          HD1       ILE  37  -7.111   3.786   0.439
  250   2HD1  ILE  37          HD1       ILE  37  -7.776   5.340   1.007
  251   3HD1  ILE  37          HD1       ILE  37  -8.632   3.837   1.343
  252    H    ALA  38           H        ALA  38  -8.560   3.978  -5.196
  253    HA   ALA  38           HA       ALA  38  -7.552   4.122  -7.168
  254   1HB   ALA  38          HB1       ALA  38  -9.190   5.810  -7.507
  255   2HB   ALA  38          HB2       ALA  38  -8.015   7.083  -7.043
  256   3HB   ALA  38          HB3       ALA  38  -7.684   6.031  -8.454
  257    H    ILE  39           H        ILE  39  -5.695   3.354  -6.829
  258    HA   ILE  39           HA       ILE  39  -3.385   5.068  -5.969
  259    HB   ILE  39           HB       ILE  39  -3.654   2.070  -6.143
  260   1HG1  ILE  39          HG1       ILE  39  -5.104   3.148  -4.387
  261   2HG1  ILE  39          HG1       ILE  39  -3.868   2.056  -3.825
  262   1HG2  ILE  39          HG2       ILE  39  -1.355   2.604  -6.428
  263   2HG2  ILE  39          HG2       ILE  39  -1.436   3.946  -5.264
  264   3HG2  ILE  39          HG2       ILE  39  -1.506   2.276  -4.694
  265   1HD1  ILE  39          HD1       ILE  39  -3.662   5.098  -3.729
  266   2HD1  ILE  39          HD1       ILE  39  -4.060   4.038  -2.373
  267   3HD1  ILE  39          HD1       ILE  39  -2.451   3.955  -3.099
  268    H    ASP  40           H        ASP  40  -1.996   5.832  -7.414
  269    HA   ASP  40           HA       ASP  40  -1.397   4.289  -9.896
  270   1HB   ASP  40          HB2       ASP  40  -1.397   6.354 -11.095
  271   2HB   ASP  40          HB3       ASP  40  -2.880   6.363 -10.149
  272    H    LYS  41           H        LYS  41   0.596   5.267 -10.911
  273    HA   LYS  41           HA       LYS  41   2.875   5.105  -9.162
  274   1HB   LYS  41          HB2       LYS  41   4.189   5.547 -11.180
  275   2HB   LYS  41          HB3       LYS  41   3.034   4.241 -11.344
  276   1HG   LYS  41          HG2       LYS  41   2.006   6.853 -12.326
  277   2HG   LYS  41          HG3       LYS  41   3.440   6.243 -13.158
  278   1HD   LYS  41          HD2       LYS  41   2.250   3.996 -13.444
  279   2HD   LYS  41          HD3       LYS  41   0.801   4.739 -12.803
  280   1HE   LYS  41          HE2       LYS  41   0.562   4.765 -15.135
  281   2HE   LYS  41          HE3       LYS  41   0.951   6.442 -14.716
  282   1HZ   LYS  41          HZ1       LYS  41   2.249   5.538 -16.633
  283   2HZ   LYS  41          HZ2       LYS  41   3.254   5.951 -15.392
  284   3HZ   LYS  41          HZ3       LYS  41   2.914   4.407 -15.649
  285    H    LYS  42           H        LYS  42   1.398   7.076  -8.105
  286    HA   LYS  42           HA       LYS  42   3.206   9.384  -8.127
  287   1HB   LYS  42          HB2       LYS  42   1.358   9.582  -9.962
  288   2HB   LYS  42          HB3       LYS  42   0.245   9.897  -8.621
  289   1HG   LYS  42          HG2       LYS  42   1.707  11.800  -7.932
  290   2HG   LYS  42          HG3       LYS  42   2.705  11.507  -9.367
  291   1HD   LYS  42          HD2       LYS  42  -0.260  12.297  -9.309
  292   2HD   LYS  42          HD3       LYS  42   1.106  13.297  -9.801
  293   1HE   LYS  42          HE2       LYS  42   0.385  12.683 -11.883
  294   2HE   LYS  42          HE3       LYS  42   1.525  11.371 -11.591
  295   1HZ   LYS  42          HZ1       LYS  42  -0.452  10.032 -10.838
  296   2HZ   LYS  42          HZ2       LYS  42  -1.423  11.264 -11.221
  297   3HZ   LYS  42          HZ3       LYS  42  -0.566  10.500 -12.389
  298    H    SER  43           H        SER  43  -0.153   8.541  -7.110
  299    HA   SER  43           HA       SER  43  -0.044   9.534  -4.481
  300   1HB   SER  43          HB2       SER  43  -1.608   7.082  -5.399
  301   2HB   SER  43          HB3       SER  43  -2.019   8.227  -4.109
  302    HG   SER  43           HG       SER  43  -2.021   8.597  -6.923
  303    H    ALA  44           H        ALA  44   0.656   6.223  -5.671
  304    HA   ALA  44           HA       ALA  44   1.191   4.945  -3.234
  305   1HB   ALA  44          HB1       ALA  44   2.468   4.436  -5.956
  306   2HB   ALA  44          HB2       ALA  44   2.320   3.281  -4.612
  307   3HB   ALA  44          HB3       ALA  44   0.870   3.852  -5.456
  308    H    HIS  45           HN       HIS  45   3.234   7.218  -4.957
  309    HA   HIS  45           HA       HIS  45   5.642   6.398  -3.407
  310   1HB   HIS  45          HB2       HIS  45   5.408   8.277  -5.758
  311   2HB   HIS  45          HB3       HIS  45   6.894   7.657  -5.025
  312    HD1  HIS  45           HND      HIS  45   4.988   7.062  -7.964
  313    HD2  HIS  45           HD       HIS  45   6.648   4.625  -4.966
  314    HE1  HIS  45           HE       HIS  45   5.220   4.754  -8.962
  315    H    LYS  46           H        LYS  46   3.173   8.821  -3.527
  316    HA   LYS  46           HA       LYS  46   4.880  11.028  -2.633
  317   1HB   LYS  46          HB2       LYS  46   3.006  11.106  -4.305
  318   2HB   LYS  46          HB3       LYS  46   1.842  10.961  -3.007
  319   1HG   LYS  46          HG2       LYS  46   2.499  13.087  -2.069
  320   2HG   LYS  46          HG3       LYS  46   3.979  13.138  -3.050
  321   1HD   LYS  46          HD2       LYS  46   2.629  13.224  -5.128
  322   2HD   LYS  46          HD3       LYS  46   1.136  13.228  -4.164
  323   1HE   LYS  46          HE2       LYS  46   1.775  15.378  -3.134
  324   2HE   LYS  46          HE3       LYS  46   3.347  15.340  -3.948
  325   1HZ   LYS  46          HZ1       LYS  46   1.789  16.757  -5.104
  326   2HZ   LYS  46          HZ2       LYS  46   2.211  15.488  -6.056
  327   3HZ   LYS  46          HZ3       LYS  46   0.739  15.510  -5.320
  328    H    ASP  47           H        ASP  47   1.965   9.455  -1.424
  329    HA   ASP  47           HA       ASP  47   2.864   9.753   1.393
  330   1HB   ASP  47          HB2       ASP  47   1.643  11.829   0.963
  331   2HB   ASP  47          HB3       ASP  47   0.235  10.918   0.375
  332    H    ALA  48           H        ALA  48   0.031   8.712  -0.555
  333    HA   ALA  48           HA       ALA  48  -1.047   6.832   1.125
  334   1HB   ALA  48          HB1       ALA  48  -0.772   6.572  -1.895
  335   2HB   ALA  48          HB2       ALA  48  -1.947   5.722  -0.873
  336   3HB   ALA  48          HB3       ALA  48  -2.028   7.489  -1.032
  337    H    CYS  49           HN       CYS  49  -0.363   5.037   2.059
  338    HA   CYS  49           HA       CYS  49   0.774   3.165   2.633
  339   1HB   CYS  49          HB2       CYS  49   1.828   3.032  -0.212
  340   2HB   CYS  49          HB3       CYS  49   1.922   1.808   1.043
  341    H    LYS  50           H        LYS  50   2.946   5.046   0.527
  342    HA   LYS  50           HA       LYS  50   5.368   4.579   1.719
  343   1HB   LYS  50          HB2       LYS  50   4.114   6.958   0.393
  344   2HB   LYS  50          HB3       LYS  50   5.676   7.204   1.161
  345   1HG   LYS  50          HG2       LYS  50   5.354   4.789  -0.637
  346   2HG   LYS  50          HG3       LYS  50   5.408   6.400  -1.320
  347   1HD   LYS  50          HD2       LYS  50   7.635   5.449  -1.339
  348   2HD   LYS  50          HD3       LYS  50   7.552   6.908  -0.347
  349   1HE   LYS  50          HE2       LYS  50   7.510   5.526   1.723
  350   2HE   LYS  50          HE3       LYS  50   7.493   4.043   0.746
  351   1HZ   LYS  50          HZ1       LYS  50   9.734   4.610   1.551
  352   2HZ   LYS  50          HZ2       LYS  50   9.664   4.639  -0.085
  353   3HZ   LYS  50          HZ3       LYS  50   9.670   6.041   0.763
  354    H    THR  51           H        THR  51   3.200   7.254   2.844
  355    HA   THR  51           HA       THR  51   4.930   8.117   4.892
  356    HB   THR  51           HB       THR  51   1.945   8.439   4.549
  357    HG1  THR  51           HG1      THR  51   2.675  10.413   3.802
  358   1HG2  THR  51          HG2       THR  51   3.838   9.774   6.550
  359   2HG2  THR  51          HG2       THR  51   2.201  10.334   6.154
  360   3HG2  THR  51          HG2       THR  51   2.424   8.775   6.961
  361    H    CYS  52           HN       CYS  52   2.233   5.748   5.206
  362    HA   CYS  52           HA       CYS  52   2.665   5.128   7.973
  363   1HB   CYS  52          HB2       CYS  52   0.726   4.361   6.666
  364   2HB   CYS  52          HB3       CYS  52   1.785   3.258   5.761
  365    H    HIS  53           HN       HIS  53   4.063   3.712   5.010
  366    HA   HIS  53           HA       HIS  53   5.969   2.009   6.297
  367   1HB   HIS  53          HB2       HIS  53   5.553   3.179   3.547
  368   2HB   HIS  53          HB3       HIS  53   7.060   2.369   3.909
  369    HD1  HIS  53           HND      HIS  53   7.176  -0.044   3.523
  370    HD2  HIS  53           HD       HIS  53   3.293   1.311   4.301
  371    HE1  HIS  53           HE       HIS  53   5.675  -2.083   3.409
  372    H    LYS  54           H        LYS  54   6.093   5.444   6.408
  373    HA   LYS  54           HA       LYS  54   9.071   5.593   6.371
  374   1HB   LYS  54          HB2       LYS  54   7.035   7.725   6.861
  375   2HB   LYS  54          HB3       LYS  54   8.799   7.842   6.810
  376   1HG   LYS  54          HG2       LYS  54   8.635   6.669   4.495
  377   2HG   LYS  54          HG3       LYS  54   6.974   7.255   4.544
  378   1HD   LYS  54          HD2       LYS  54   7.961   9.528   5.220
  379   2HD   LYS  54          HD3       LYS  54   9.545   8.805   4.839
  380   1HE   LYS  54          HE2       LYS  54   8.852   8.503   2.475
  381   2HE   LYS  54          HE3       LYS  54   7.197   9.010   2.859
  382   1HZ   LYS  54          HZ1       LYS  54   8.432  10.796   1.843
  383   2HZ   LYS  54          HZ2       LYS  54   8.022  11.192   3.380
  384   3HZ   LYS  54          HZ3       LYS  54   9.568  10.756   3.035
  385    H    SER  55           H        SER  55   6.285   5.850   8.629
  386    HA   SER  55           HA       SER  55   7.886   6.735  10.862
  387   1HB   SER  55          HB2       SER  55   5.038   5.675  10.735
  388   2HB   SER  55          HB3       SER  55   5.739   6.607  12.072
  389    HG   SER  55           HG       SER  55   6.125   8.300  10.466
  390    H    ASN  56           H        ASN  56   8.997   4.268   9.956
  391    HA   ASN  56           HA       ASN  56   9.172   2.649  12.277
  392   1HB   ASN  56          HB2       ASN  56   7.962   0.689  11.567
  393   2HB   ASN  56          HB3       ASN  56   6.803   2.008  11.504
  394   1HD2  ASN  56          HD2       ASN  56   7.831  -0.676   9.826
  395   2HD2  ASN  56          HD2       ASN  56   7.370  -0.127   8.218
  396    H    ASN  57           H        ASN  57  10.516   0.736  11.800
  397    HA   ASN  57           HA       ASN  57  12.367   1.044   9.557
  398   1HB   ASN  57          HB2       ASN  57  13.154   0.181  11.690
  399   2HB   ASN  57          HB3       ASN  57  12.025  -1.177  11.605
  400   1HD2  ASN  57          HD2       ASN  57  13.582  -0.271   8.533
  401   2HD2  ASN  57          HD2       ASN  57  14.722  -1.604   8.605
  402    H    GLY  58           H        GLY  58  10.425   1.133   8.058
  403   1HA   GLY  58          HA2       GLY  58   9.298  -1.487   7.266
  404   2HA   GLY  58          HA3       GLY  58   8.921   0.100   6.581
  405    HA   PRO  59           HA       PRO  59  12.071  -2.117   3.798
  406   1HB   PRO  59          HB2       PRO  59  10.535  -3.371   1.950
  407   2HB   PRO  59          HB3       PRO  59  10.837  -4.085   3.551
  408   1HG   PRO  59          HG2       PRO  59   8.425  -2.436   2.732
  409   2HG   PRO  59          HG3       PRO  59   8.427  -4.070   3.458
  410   1HD   PRO  59          HD2       PRO  59   8.146  -1.859   5.018
  411   2HD   PRO  59          HD3       PRO  59   9.143  -3.237   5.561
  412    H    THR  60           H        THR  60  11.822   0.458   3.898
  413    HA   THR  60           HA       THR  60  10.274   1.645   1.738
  414    HB   THR  60           HB       THR  60  10.394   2.808   3.810
  415    HG1  THR  60           HG1      THR  60  11.984   4.126   1.891
  416   1HG2  THR  60          HG2       THR  60  12.461   3.930   4.582
  417   2HG2  THR  60          HG2       THR  60  12.589   2.174   4.703
  418   3HG2  THR  60          HG2       THR  60  13.415   3.032   3.388
  419    H    LYS  61           H        LYS  61  11.676  -0.004   0.340
  420    HA   LYS  61           HA       LYS  61  13.413   1.745  -1.338
  421   1HB   LYS  61          HB2       LYS  61  14.826   0.200   0.046
  422   2HB   LYS  61          HB3       LYS  61  13.984  -1.179  -0.680
  423   1HG   LYS  61          HG2       LYS  61  14.800  -0.411  -2.944
  424   2HG   LYS  61          HG3       LYS  61  15.708   0.881  -2.149
  425   1HD   LYS  61          HD2       LYS  61  16.052  -2.127  -1.684
  426   2HD   LYS  61          HD3       LYS  61  17.048  -1.139  -2.766
  427   1HE   LYS  61          HE2       LYS  61  17.738   0.275  -0.800
  428   2HE   LYS  61          HE3       LYS  61  16.838  -0.813   0.270
  429   1HZ   LYS  61          HZ1       LYS  61  19.154  -1.397   0.189
  430   2HZ   LYS  61          HZ2       LYS  61  18.257  -2.613  -0.455
  431   3HZ   LYS  61          HZ3       LYS  61  19.108  -1.606  -1.439
  432    H    CYS  62           HN       CYS  62  13.162   1.239  -3.626
  433    HA   CYS  62           HA       CYS  62  10.650   0.639  -4.543
  434   1HB   CYS  62          HB2       CYS  62  13.075  -0.183  -6.128
  435   2HB   CYS  62          HB3       CYS  62  11.538   0.453  -6.712
  436    H    GLY  63           H        GLY  63  13.298  -1.731  -4.485
  437   1HA   GLY  63          HA2       GLY  63  11.990  -4.056  -5.252
  438   2HA   GLY  63          HA3       GLY  63  13.374  -3.982  -4.168
  439    H    GLY  64           H        GLY  64  11.638  -2.373  -2.159
  440   1HA   GLY  64          HA2       GLY  64  10.739  -4.577  -0.527
  441   2HA   GLY  64          HA3       GLY  64  10.503  -2.840  -0.270
  442    H    CYS  65           HN       CYS  65   9.249  -2.535  -2.988
  443    HA   CYS  65           HA       CYS  65   6.535  -3.721  -2.407
  444   1HB   CYS  65          HB2       CYS  65   7.371  -1.172  -3.794
  445   2HB   CYS  65          HB3       CYS  65   5.749  -1.866  -3.878
  446    H    HIS  66           HN       HIS  66   8.716  -2.741  -5.068
  447    HA   HIS  66           HA       HIS  66   7.148  -4.231  -7.038
  448   1HB   HIS  66          HB2       HIS  66   9.679  -2.552  -7.169
  449   2HB   HIS  66          HB3       HIS  66   8.861  -3.238  -8.555
  450    HD1  HIS  66           HND      HIS  66   6.295  -2.470  -8.919
  451    HD2  HIS  66           HD       HIS  66   8.751  -0.107  -6.503
  452    HE1  HIS  66           HE       HIS  66   5.229  -0.164  -8.864
  453    H    ILE  67           H        ILE  67   7.541  -6.292  -7.734
  454    HA   ILE  67           HA       ILE  67   9.731  -7.941  -6.926
  455    HB   ILE  67           HB       ILE  67   8.141  -7.976  -9.519
  456   1HG1  ILE  67          HG1       ILE  67   6.630  -8.184  -7.627
  457   2HG1  ILE  67          HG1       ILE  67   6.751  -9.693  -8.514
  458   1HG2  ILE  67          HG2       ILE  67   9.931 -10.098  -8.278
  459   2HG2  ILE  67          HG2       ILE  67   8.753 -10.419  -9.567
  460   3HG2  ILE  67          HG2       ILE  67  10.098  -9.318  -9.862
  461   1HD1  ILE  67          HD1       ILE  67   8.259 -10.619  -6.762
  462   2HD1  ILE  67          HD1       ILE  67   8.113  -9.098  -5.849
  463   3HD1  ILE  67          HD1       ILE  67   6.692 -10.113  -6.115
  464    H    LYS  68           H        LYS  68  11.857  -8.254  -7.717
  465    HA   LYS  68           HA       LYS  68  12.811  -6.817 -10.021
  466   1HB   LYS  68          HB2       LYS  68  12.808  -5.016  -8.350
  467   2HB   LYS  68          HB3       LYS  68  13.416  -6.118  -7.109
  468   1HG   LYS  68          HG2       LYS  68  15.192  -4.680  -7.764
  469   2HG   LYS  68          HG3       LYS  68  15.541  -6.336  -8.275
  470   1HD   LYS  68          HD2       LYS  68  14.500  -5.612 -10.588
  471   2HD   LYS  68          HD3       LYS  68  14.673  -3.959 -10.007
  472   1HE   LYS  68          HE2       LYS  68  16.809  -6.107 -10.462
  473   2HE   LYS  68          HE3       LYS  68  16.574  -4.633 -11.415
  474   1HZ   LYS  68          HZ1       LYS  68  17.434  -4.770  -8.600
  475   2HZ   LYS  68          HZ2       LYS  68  18.385  -4.361  -9.880
  476   3HZ   LYS  68          HZ3       LYS  68  17.152  -3.366  -9.418
  477    HHA  HEC 130           HCM      HEC  30 -10.087  -0.722  -2.859
  478    HHB  HEC 130           HDM      HEC  30 -13.262  -2.717   2.179
  479    HHC  HEC 130           HAM      HEC  30  -7.615  -3.805   4.695
  480    HHD  HEC 130           HBM      HEC  30  -5.677   0.912   1.166
  481   1HMA  HEC 130          HM8       HEC  30 -14.584  -3.113  -0.272
  482   2HMA  HEC 130          HM8       HEC  30 -14.843  -1.674   0.752
  483   3HMA  HEC 130          HM8       HEC  30 -14.954  -1.539  -0.999
  484   1HAA  HEC 130          HP7       HEC  30 -12.112  -0.988  -3.511
  485   2HAA  HEC 130          HP7       HEC  30 -13.719  -0.804  -2.835
  486   1HBA  HEC 130          HP7       HEC  30 -13.413  -2.785  -4.348
  487   2HBA  HEC 130          HP7       HEC  30 -14.037  -3.191  -2.753
  488   1HMB  HEC 130          HM1       HEC  30 -13.574  -3.313   4.618
  489   2HMB  HEC 130          HM1       HEC  30 -13.310  -4.777   3.638
  490   3HMB  HEC 130          HM1       HEC  30 -12.811  -4.733   5.330
  491    HAB  HEC 130           HT2      HEC  30  -9.004  -4.513   6.104
  492   1HBB  HEC 130          HT2       HEC  30 -10.045  -6.731   6.526
  493   2HBB  HEC 130          HT2       HEC  30 -11.219  -6.417   5.246
  494   3HBB  HEC 130          HT2       HEC  30  -9.499  -6.564   4.845
  495   1HMC  HEC 130          HM3       HEC  30  -5.656  -2.892   5.711
  496   2HMC  HEC 130          HM3       HEC  30  -4.861  -3.765   4.358
  497   3HMC  HEC 130          HM3       HEC  30  -4.185  -2.253   4.989
  498    HAC  HEC 130           HT4      HEC  30  -4.309   0.828   2.675
  499   1HBC  HEC 130          HT4       HEC  30  -2.975  -1.792   3.243
  500   2HBC  HEC 130          HT4       HEC  30  -2.816  -0.645   1.904
  501   3HBC  HEC 130          HT4       HEC  30  -2.190  -0.227   3.516
  502   1HMD  HEC 130          HM5       HEC  30  -5.315   1.390  -2.417
  503   2HMD  HEC 130          HM5       HEC  30  -5.703   2.576  -1.161
  504   3HMD  HEC 130          HM5       HEC  30  -4.741   1.129  -0.767
  505   1HAD  HEC 130          HP6       HEC  30  -7.712   2.144  -3.225
  506   2HAD  HEC 130          HP6       HEC  30  -9.023   1.066  -3.630
  507   1HBD  HEC 130          HP6       HEC  30  -7.611  -0.358  -4.889
  508   2HBD  HEC 130          HP6       HEC  30  -6.160   0.502  -4.348
  509    HHA  HEC 153           HCM      HEC  53   5.180  -5.172   5.581
  510    HHB  HEC 153           HDM      HEC  53   3.318  -3.550  -0.087
  511    HHC  HEC 153           HAM      HEC  53  -0.312   0.886   2.367
  512    HHD  HEC 153           HBM      HEC  53   1.952  -0.387   7.990
  513   1HMA  HEC 153          HM8       HEC  53   5.782  -6.259   0.522
  514   2HMA  HEC 153          HM8       HEC  53   4.117  -5.987  -0.008
  515   3HMA  HEC 153          HM8       HEC  53   5.378  -4.756  -0.306
  516   1HAA  HEC 153          HP7       HEC  53   6.672  -6.035   4.118
  517   2HAA  HEC 153          HP7       HEC  53   6.623  -6.624   2.478
  518   1HBA  HEC 153          HP7       HEC  53   4.631  -7.969   2.965
  519   2HBA  HEC 153          HP7       HEC  53   4.589  -7.345   4.618
  520   1HMB  HEC 153          HM1       HEC  53   0.818  -2.218  -1.928
  521   2HMB  HEC 153          HM1       HEC  53   2.065  -0.952  -2.131
  522   3HMB  HEC 153          HM1       HEC  53   2.524  -2.589  -1.752
  523    HAB  HEC 153           HT2      HEC  53  -1.138  -0.045  -0.220
  524   1HBB  HEC 153          HT2       HEC  53  -0.109  -0.276  -2.399
  525   2HBB  HEC 153          HT2       HEC  53  -0.718   1.351  -2.204
  526   3HBB  HEC 153          HT2       HEC  53   1.020   1.072  -2.042
  527   1HMC  HEC 153          HM3       HEC  53  -1.325   2.248   3.566
  528   2HMC  HEC 153          HM3       HEC  53  -1.980   2.027   5.161
  529   3HMC  HEC 153          HM3       HEC  53  -0.643   3.166   4.897
  530    HAC  HEC 153           HT4      HEC  53   0.032   0.693   8.274
  531   1HBC  HEC 153          HT4       HEC  53  -1.234   3.166   7.085
  532   2HBC  HEC 153          HT4       HEC  53  -2.064   1.619   7.389
  533   3HBC  HEC 153          HT4       HEC  53  -1.360   2.533   8.715
  534   1HMD  HEC 153          HM5       HEC  53   4.381  -2.412   9.968
  535   2HMD  HEC 153          HM5       HEC  53   3.686  -0.874   9.459
  536   3HMD  HEC 153          HM5       HEC  53   2.619  -2.248   9.854
  537   1HAD  HEC 153          HP6       HEC  53   5.839  -3.923   8.844
  538   2HAD  HEC 153          HP6       HEC  53   5.615  -5.196   7.663
  539   1HBD  HEC 153          HP6       HEC  53   3.804  -4.623  10.029
  540   2HBD  HEC 153          HP6       HEC  53   4.942  -5.945   9.842
  541    HHA  HEC 166           HCM      HEC  66   3.342   2.262 -10.459
  542    HHB  HEC 166           HDM      HEC  66   9.533   3.169 -10.301
  543    HHC  HEC 166           HAM      HEC  66   9.401   2.601  -4.086
  544    HHD  HEC 166           HBM      HEC  66   3.502   0.756  -4.436
  545   1HMA  HEC 166          HM8       HEC  66   8.626   2.635 -12.885
  546   2HMA  HEC 166          HM8       HEC  66   7.425   3.866 -13.302
  547   3HMA  HEC 166          HM8       HEC  66   8.687   4.256 -12.148
  548   1HAA  HEC 166          HP7       HEC  66   4.877   3.910 -12.887
  549   2HAA  HEC 166          HP7       HEC  66   3.934   2.472 -12.516
  550   1HBA  HEC 166          HP7       HEC  66   4.870   1.244 -14.100
  551   2HBA  HEC 166          HP7       HEC  66   6.495   1.803 -13.804
  552   1HMB  HEC 166          HM1       HEC  66  12.587   3.518  -8.203
  553   2HMB  HEC 166          HM1       HEC  66  11.756   2.699  -9.516
  554   3HMB  HEC 166          HM1       HEC  66  11.502   4.441  -9.247
  555    HAB  HEC 166           HT2      HEC  66  11.367   3.075  -4.519
  556   1HBB  HEC 166          HT2       HEC  66  11.359   5.416  -5.261
  557   2HBB  HEC 166          HT2       HEC  66  12.978   4.830  -4.831
  558   3HBB  HEC 166          HT2       HEC  66  12.527   5.019  -6.529
  559   1HMC  HEC 166          HM3       HEC  66   7.519   1.356  -1.159
  560   2HMC  HEC 166          HM3       HEC  66   8.841   0.866  -2.212
  561   3HMC  HEC 166          HM3       HEC  66   8.523   2.597  -1.913
  562    HAC  HEC 166           HT4      HEC  66   4.300  -0.188  -2.733
  563   1HBC  HEC 166          HT4       HEC  66   3.905   1.913  -1.489
  564   2HBC  HEC 166          HT4       HEC  66   4.059   0.495  -0.431
  565   3HBC  HEC 166          HT4       HEC  66   5.394   1.643  -0.568
  566   1HMD  HEC 166          HM5       HEC  66   1.593   0.042  -5.137
  567   2HMD  HEC 166          HM5       HEC  66   0.591   1.354  -5.782
  568   3HMD  HEC 166          HM5       HEC  66   0.777  -0.163  -6.682
  569   1HAD  HEC 166          HP6       HEC  66   0.935   2.517  -9.292
  570   2HAD  HEC 166          HP6       HEC  66   0.297   1.167  -8.426
  571   1HBD  HEC 166          HP6       HEC  66   0.607  -0.244 -10.110
  572   2HBD  HEC 166          HP6       HEC  66   2.285   0.209 -10.321
  Start of MODEL   16
    1   1H    ALA   1          H1        ALA   1 -10.277  -6.802  -3.167
    2   2H    ALA   1          H2        ALA   1 -11.861  -6.334  -3.182
    3   3H    ALA   1          H3        ALA   1 -10.956  -5.779  -2.049
    4    HA   ALA   1           HA       ALA   1 -12.307  -7.513  -1.150
    5   1HB   ALA   1          HB1       ALA   1 -11.287  -9.230  -3.446
    6   2HB   ALA   1          HB2       ALA   1 -12.337  -9.789  -2.123
    7   3HB   ALA   1          HB3       ALA   1 -12.909  -8.542  -3.246
    8    H    ASP   2           H        ASP   2  -9.734  -9.769  -2.178
    9    HA   ASP   2           HA       ASP   2  -8.418  -9.589   0.490
   10   1HB   ASP   2          HB2       ASP   2  -8.057 -11.931   0.109
   11   2HB   ASP   2          HB3       ASP   2  -9.767 -11.554  -0.140
   12    H    VAL   3           H        VAL   3  -6.484 -11.499  -1.408
   13    HA   VAL   3           HA       VAL   3  -4.441  -9.398  -1.049
   14    HB   VAL   3           HB       VAL   3  -4.128 -12.312  -1.810
   15   1HG1  VAL   3          HG1       VAL   3  -2.159 -11.036  -2.581
   16   2HG1  VAL   3          HG1       VAL   3  -2.100 -10.154  -1.046
   17   3HG1  VAL   3          HG1       VAL   3  -1.740 -11.889  -1.097
   18   1HG2  VAL   3          HG2       VAL   3  -5.032 -11.976   0.488
   19   2HG2  VAL   3          HG2       VAL   3  -3.347 -12.508   0.549
   20   3HG2  VAL   3          HG2       VAL   3  -3.739 -10.802   0.824
   21    H    VAL   4           H        VAL   4  -5.273  -7.969  -2.601
   22    HA   VAL   4           HA       VAL   4  -5.063  -8.550  -5.396
   23    HB   VAL   4           HB       VAL   4  -4.854  -5.770  -4.224
   24   1HG1  VAL   4          HG1       VAL   4  -6.077  -5.202  -6.342
   25   2HG1  VAL   4          HG1       VAL   4  -4.527  -5.975  -6.691
   26   3HG1  VAL   4          HG1       VAL   4  -6.030  -6.905  -6.816
   27   1HG2  VAL   4          HG2       VAL   4  -7.314  -7.522  -4.551
   28   2HG2  VAL   4          HG2       VAL   4  -6.770  -6.625  -3.111
   29   3HG2  VAL   4          HG2       VAL   4  -7.390  -5.747  -4.501
   30    H    THR   5           H        THR   5  -3.463  -8.456  -6.878
   31    HA   THR   5           HA       THR   5  -0.811  -7.235  -6.180
   32    HB   THR   5           HB       THR   5  -1.515  -9.902  -7.320
   33    HG1  THR   5           HG1      THR   5   0.950  -9.135  -6.239
   34   1HG2  THR   5          HG2       THR   5   0.833  -8.298  -8.415
   35   2HG2  THR   5          HG2       THR   5   0.666 -10.064  -8.504
   36   3HG2  THR   5          HG2       THR   5  -0.525  -9.043  -9.311
   37    H    TYR   6           H        TYR   6  -0.004  -5.801  -7.538
   38    HA   TYR   6           HA       TYR   6  -1.563  -5.046  -9.990
   39   1HB   TYR   6          HB2       TYR   6  -0.067  -3.378  -7.918
   40   2HB   TYR   6          HB3       TYR   6  -0.211  -2.892  -9.555
   41    HD1  TYR   6           HD1      TYR   6  -2.625  -4.584  -7.214
   42    HD2  TYR   6           HD2      TYR   6  -1.791  -1.081  -9.566
   43    HE1  TYR   6           HE1      TYR   6  -4.565  -3.430  -6.214
   44    HE2  TYR   6           HE2      TYR   6  -3.799   0.026  -8.609
   45    HH   TYR   6           HH       TYR   6  -5.931  -0.439  -7.094
   46    H    GLU   7           H        GLU   7  -0.530  -5.846 -11.670
   47    HA   GLU   7           HA       GLU   7   2.334  -6.348 -11.701
   48   1HB   GLU   7          HB2       GLU   7   0.262  -7.046 -13.796
   49   2HB   GLU   7          HB3       GLU   7   1.794  -7.844 -13.445
   50   1HG   GLU   7          HG2       GLU   7   0.442  -9.306 -12.262
   51   2HG   GLU   7          HG3       GLU   7   0.492  -8.061 -10.986
   52    H    ASN   8           H        ASN   8   3.650  -4.730 -12.285
   53    HA   ASN   8           HA       ASN   8   2.824  -2.836 -14.446
   54   1HB   ASN   8          HB2       ASN   8   4.515  -1.782 -12.263
   55   2HB   ASN   8          HB3       ASN   8   3.061  -1.106 -13.029
   56   1HD2  ASN   8          HD2       ASN   8   4.312  -2.948 -10.299
   57   2HD2  ASN   8          HD2       ASN   8   2.715  -3.292  -9.634
   58    H    ALA   9           H        ALA   9   4.683  -1.716 -15.476
   59    HA   ALA   9           HA       ALA   9   6.545  -3.773 -16.344
   60   1HB   ALA   9          HB1       ALA   9   6.540  -0.779 -16.857
   61   2HB   ALA   9          HB2       ALA   9   7.487  -1.998 -17.746
   62   3HB   ALA   9          HB3       ALA   9   5.711  -2.017 -17.833
   63    H    ALA  10           H        ALA  10   6.662  -1.408 -13.831
   64    HA   ALA  10           HA       ALA  10   9.564  -1.385 -13.478
   65   1HB   ALA  10          HB1       ALA  10   7.285  -0.465 -11.681
   66   2HB   ALA  10          HB2       ALA  10   9.009  -0.100 -11.444
   67   3HB   ALA  10          HB3       ALA  10   8.158   0.527 -12.870
   68    H    GLY  11           H        GLY  11   7.172  -3.736 -12.710
   69   1HA   GLY  11          HA2       GLY  11   8.077  -5.786 -11.370
   70   2HA   GLY  11          HA3       GLY  11   8.563  -4.610 -10.189
   71    H    ASN  12           H        ASN  12   6.270  -6.837 -10.445
   72    HA   ASN  12           HA       ASN  12   3.958  -5.252  -9.860
   73   1HB   ASN  12          HB2       ASN  12   3.903  -7.874  -8.552
   74   2HB   ASN  12          HB3       ASN  12   2.749  -7.080  -9.615
   75   1HD2  ASN  12          HD2       ASN  12   2.373  -8.647 -11.257
   76   2HD2  ASN  12          HD2       ASN  12   3.672  -9.530 -12.037
   77    H    VAL  13           H        VAL  13   2.875  -5.250  -7.705
   78    HA   VAL  13           HA       VAL  13   4.919  -4.366  -5.738
   79    HB   VAL  13           HB       VAL  13   3.285  -2.894  -6.986
   80   1HG1  VAL  13          HG1       VAL  13   1.424  -3.698  -4.714
   81   2HG1  VAL  13          HG1       VAL  13   1.109  -2.599  -6.060
   82   3HG1  VAL  13          HG1       VAL  13   1.255  -4.336  -6.371
   83   1HG2  VAL  13          HG2       VAL  13   3.800  -2.746  -4.009
   84   2HG2  VAL  13          HG2       VAL  13   4.593  -1.887  -5.351
   85   3HG2  VAL  13          HG2       VAL  13   2.930  -1.476  -4.890
   86    H    THR  14           H        THR  14   2.005  -6.364  -5.758
   87    HA   THR  14           HA       THR  14   0.793  -7.409  -4.194
   88    HB   THR  14           HB       THR  14   3.513  -7.770  -3.017
   89    HG1  THR  14           HG1      THR  14   1.400  -9.567  -3.524
   90   1HG2  THR  14          HG2       THR  14   2.516  -9.236  -1.253
   91   2HG2  THR  14          HG2       THR  14   2.215  -7.534  -0.920
   92   3HG2  THR  14          HG2       THR  14   0.919  -8.551  -1.584
   93    H    PHE  15           H        PHE  15  -0.734  -6.173  -3.660
   94    HA   PHE  15           HA       PHE  15  -0.523  -4.469  -1.205
   95   1HB   PHE  15          HB2       PHE  15  -2.869  -5.218  -3.000
   96   2HB   PHE  15          HB3       PHE  15  -2.997  -4.347  -1.490
   97    HD1  PHE  15           HD1      PHE  15  -3.961  -2.357  -2.071
   98    HD2  PHE  15           HD2      PHE  15  -0.887  -3.941  -4.610
   99    HE1  PHE  15           HE1      PHE  15  -4.346  -0.590  -3.750
  100    HE2  PHE  15           HE2      PHE  15  -1.042  -1.953  -6.047
  101    HZ   PHE  15           HZ       PHE  15  -2.836  -0.337  -5.667
  102    H    ASP  16           H        ASP  16  -1.856  -5.284   0.601
  103    HA   ASP  16           HA       ASP  16  -3.253  -7.847   0.045
  104   1HB   ASP  16          HB2       ASP  16  -2.254  -7.144   2.779
  105   2HB   ASP  16          HB3       ASP  16  -2.963  -8.672   2.213
  106    H    HIS  17           HN       HIS  17  -5.421  -7.536   0.289
  107    HA   HIS  17           HA       HIS  17  -6.395  -5.399   2.122
  108   1HB   HIS  17          HB2       HIS  17  -7.673  -7.560   0.483
  109   2HB   HIS  17          HB3       HIS  17  -8.468  -7.047   1.915
  110    HD1  HIS  17           HND      HIS  17  -7.011  -5.317  -1.226
  111    HD2  HIS  17           HD       HIS  17  -9.518  -4.819   2.057
  112    HE1  HIS  17           HE       HIS  17  -7.673  -2.868  -1.226
  113    H    LYS  18           H        LYS  18  -6.305  -9.006   2.063
  114    HA   LYS  18           HA       LYS  18  -7.205  -9.185   4.718
  115   1HB   LYS  18          HB2       LYS  18  -7.409 -11.008   3.084
  116   2HB   LYS  18          HB3       LYS  18  -5.663 -11.297   3.169
  117   1HG   LYS  18          HG2       LYS  18  -5.968 -11.620   5.715
  118   2HG   LYS  18          HG3       LYS  18  -7.700 -11.556   5.453
  119   1HD   LYS  18          HD2       LYS  18  -5.724 -13.564   4.267
  120   2HD   LYS  18          HD3       LYS  18  -6.768 -13.814   5.679
  121   1HE   LYS  18          HE2       LYS  18  -8.786 -13.437   4.211
  122   2HE   LYS  18          HE3       LYS  18  -7.713 -13.350   2.802
  123   1HZ   LYS  18          HZ1       LYS  18  -8.608 -15.561   3.093
  124   2HZ   LYS  18          HZ2       LYS  18  -6.977 -15.589   3.315
  125   3HZ   LYS  18          HZ3       LYS  18  -7.983 -15.662   4.614
  126    H    ALA  19           H        ALA  19  -3.863 -10.055   3.639
  127    HA   ALA  19           HA       ALA  19  -3.026 -10.598   6.236
  128   1HB   ALA  19          HB1       ALA  19  -1.837 -11.291   4.137
  129   2HB   ALA  19          HB2       ALA  19  -1.205  -9.633   4.007
  130   3HB   ALA  19          HB3       ALA  19  -0.754 -10.640   5.388
  131    H    HIS  20           HN       HIS  20  -2.829  -7.509   4.546
  132    HA   HIS  20           HA       HIS  20  -1.526  -6.053   6.677
  133   1HB   HIS  20          HB2       HIS  20  -3.112  -5.290   4.225
  134   2HB   HIS  20          HB3       HIS  20  -2.793  -4.103   5.465
  135    HD1  HIS  20           HND      HIS  20  -0.475  -6.536   3.368
  136    HD2  HIS  20           HD       HIS  20  -0.686  -2.667   5.062
  137    HE1  HIS  20           HE       HIS  20   1.572  -5.392   2.710
  138    H    ALA  21           H        ALA  21  -5.043  -6.301   5.726
  139    HA   ALA  21           HA       ALA  21  -6.112  -4.830   7.856
  140   1HB   ALA  21          HB1       ALA  21  -8.180  -6.044   7.432
  141   2HB   ALA  21          HB2       ALA  21  -7.410  -5.549   5.908
  142   3HB   ALA  21          HB3       ALA  21  -7.317  -7.242   6.455
  143    H    GLU  22           H        GLU  22  -5.228  -8.302   7.863
  144    HA   GLU  22           HA       GLU  22  -6.385  -9.138  10.243
  145   1HB   GLU  22          HB2       GLU  22  -3.688  -9.820   9.028
  146   2HB   GLU  22          HB3       GLU  22  -4.431 -10.757  10.320
  147   1HG   GLU  22          HG2       GLU  22  -5.983 -10.313   7.752
  148   2HG   GLU  22          HG3       GLU  22  -4.690 -11.523   7.821
  149    H    LYS  23           H        LYS  23  -3.493  -7.091   9.822
  150    HA   LYS  23           HA       LYS  23  -3.177  -6.765  12.775
  151   1HB   LYS  23          HB2       LYS  23  -1.548  -5.974  10.329
  152   2HB   LYS  23          HB3       LYS  23  -1.332  -5.197  11.898
  153   1HG   LYS  23          HG2       LYS  23  -0.943  -7.405  12.953
  154   2HG   LYS  23          HG3       LYS  23  -1.047  -8.183  11.361
  155   1HD   LYS  23          HD2       LYS  23   0.942  -7.052  10.577
  156   2HD   LYS  23          HD3       LYS  23   0.906  -5.897  11.918
  157   1HE   LYS  23          HE2       LYS  23   1.346  -7.709  13.543
  158   2HE   LYS  23          HE3       LYS  23   1.420  -8.892  12.223
  159   1HZ   LYS  23          HZ1       LYS  23   3.219  -6.521  12.300
  160   2HZ   LYS  23          HZ2       LYS  23   3.642  -7.983  12.959
  161   3HZ   LYS  23          HZ3       LYS  23   3.357  -7.754  11.357
  162    H    LEU  24           H        LEU  24  -3.834  -4.880   9.826
  163    HA   LEU  24           HA       LEU  24  -3.939  -2.403  11.310
  164   1HB   LEU  24          HB2       LEU  24  -4.416  -3.026   8.374
  165   2HB   LEU  24          HB3       LEU  24  -4.137  -1.433   9.071
  166    HG   LEU  24           HG       LEU  24  -2.092  -3.667   8.969
  167   1HD1  LEU  24          HD1       LEU  24  -2.624  -2.439   6.848
  168   2HD1  LEU  24          HD1       LEU  24  -2.237  -0.926   7.660
  169   3HD1  LEU  24          HD1       LEU  24  -0.969  -2.153   7.425
  170   1HD2  LEU  24          HD2       LEU  24  -1.946  -0.878  10.198
  171   2HD2  LEU  24          HD2       LEU  24  -1.703  -2.433  11.033
  172   3HD2  LEU  24          HD2       LEU  24  -0.537  -1.891   9.824
  173    H    GLY  25           H        GLY  25  -6.497  -4.559  10.500
  174   1HA   GLY  25          HA2       GLY  25  -8.756  -4.395  10.794
  175   2HA   GLY  25          HA3       GLY  25  -8.361  -3.138  11.965
  176    H    CYS  26           HN       CYS  26  -8.087  -3.147   8.456
  177    HA   CYS  26           HA       CYS  26  -8.913  -1.950   6.738
  178   1HB   CYS  26          HB2       CYS  26 -11.388  -1.560   8.372
  179   2HB   CYS  26          HB3       CYS  26 -11.223  -1.492   6.608
  180    H    ASP  27           H        ASP  27 -10.152  -0.135   9.574
  181    HA   ASP  27           HA       ASP  27 -10.415   2.334   8.461
  182   1HB   ASP  27          HB2       ASP  27  -9.711   1.453  11.286
  183   2HB   ASP  27          HB3       ASP  27 -10.128   3.124  10.866
  184    H    ALA  28           H        ALA  28  -7.482   0.929   9.813
  185    HA   ALA  28           HA       ALA  28  -5.585   2.949   9.781
  186   1HB   ALA  28          HB1       ALA  28  -4.045   1.060   9.029
  187   2HB   ALA  28          HB2       ALA  28  -5.104   0.681  10.408
  188   3HB   ALA  28          HB3       ALA  28  -5.545   0.111   8.774
  189    H    CYS  29           HN       CYS  29  -7.107   1.495   6.905
  190    HA   CYS  29           HA       CYS  29  -5.392   3.164   5.077
  191   1HB   CYS  29          HB2       CYS  29  -6.897   0.569   4.692
  192   2HB   CYS  29          HB3       CYS  29  -6.179   1.533   3.396
  193    H    HIS  30           HN       HIS  30  -8.411   3.301   6.553
  194    HA   HIS  30           HA       HIS  30  -9.812   4.345   4.146
  195   1HB   HIS  30          HB2       HIS  30 -10.390   1.788   5.682
  196   2HB   HIS  30          HB3       HIS  30 -11.652   2.616   4.791
  197    HD1  HIS  30           HND      HIS  30 -10.609   3.198   2.091
  198    HD2  HIS  30           HD       HIS  30  -9.684  -0.241   4.271
  199    HE1  HIS  30           HE       HIS  30 -10.257   1.275   0.363
  200    H    GLU  31           H        GLU  31 -11.257   5.834   4.523
  201    HA   GLU  31           HA       GLU  31 -11.580   6.859   7.209
  202   1HB   GLU  31          HB2       GLU  31 -12.887   8.619   6.056
  203   2HB   GLU  31          HB3       GLU  31 -11.221   8.438   5.506
  204   1HG   GLU  31          HG2       GLU  31 -13.510   7.129   3.971
  205   2HG   GLU  31          HG3       GLU  31 -13.075   8.823   3.738
  206    H    GLY  32           H        GLY  32 -12.546   4.633   7.746
  207   1HA   GLY  32          HA2       GLY  32 -14.337   3.644   8.814
  208   2HA   GLY  32          HA3       GLY  32 -15.323   5.061   8.448
  209    H    THR  33           H        THR  33 -15.586   5.117   5.783
  210    HA   THR  33           HA       THR  33 -17.033   2.579   5.103
  211    HB   THR  33           HB       THR  33 -17.302   5.332   3.863
  212    HG1  THR  33           HG1      THR  33 -18.019   5.086   6.040
  213   1HG2  THR  33          HG2       THR  33 -19.390   4.357   2.934
  214   2HG2  THR  33          HG2       THR  33 -17.972   3.501   2.304
  215   3HG2  THR  33          HG2       THR  33 -18.955   2.771   3.597
  216    HA   PRO  34           HA       PRO  34 -13.391   2.442   2.264
  217   1HB   PRO  34          HB2       PRO  34 -13.120  -0.185   1.956
  218   2HB   PRO  34          HB3       PRO  34 -12.635   0.595   3.483
  219   1HG   PRO  34          HG2       PRO  34 -15.261  -0.823   2.960
  220   2HG   PRO  34          HG3       PRO  34 -14.129  -1.063   4.327
  221   1HD   PRO  34          HD2       PRO  34 -16.268   0.588   4.537
  222   2HD   PRO  34          HD3       PRO  34 -14.694   0.988   5.292
  223    H    ALA  35           H        ALA  35 -13.617   2.624   0.106
  224    HA   ALA  35           HA       ALA  35 -15.923   1.360  -1.319
  225   1HB   ALA  35          HB1       ALA  35 -15.206   4.315  -1.317
  226   2HB   ALA  35          HB2       ALA  35 -16.508   3.549  -2.258
  227   3HB   ALA  35          HB3       ALA  35 -16.586   3.582  -0.482
  228    H    LYS  36           H        LYS  36 -13.089   3.221  -1.705
  229    HA   LYS  36           HA       LYS  36 -11.406   1.587  -2.926
  230   1HB   LYS  36          HB2       LYS  36 -11.226   2.129  -5.175
  231   2HB   LYS  36          HB3       LYS  36 -12.857   1.551  -4.890
  232   1HG   LYS  36          HG2       LYS  36 -13.721   3.412  -5.844
  233   2HG   LYS  36          HG3       LYS  36 -12.937   4.392  -4.620
  234   1HD   LYS  36          HD2       LYS  36 -12.159   5.257  -6.664
  235   2HD   LYS  36          HD3       LYS  36 -10.796   4.335  -6.046
  236   1HE   LYS  36          HE2       LYS  36 -12.782   3.438  -8.203
  237   2HE   LYS  36          HE3       LYS  36 -11.154   4.062  -8.487
  238   1HZ   LYS  36          HZ1       LYS  36 -10.299   2.091  -7.217
  239   2HZ   LYS  36          HZ2       LYS  36 -11.799   1.533  -7.112
  240   3HZ   LYS  36          HZ3       LYS  36 -11.090   1.685  -8.585
  241    H    ILE  37           H        ILE  37  -9.543   2.997  -4.204
  242    HA   ILE  37           HA       ILE  37  -9.223   5.707  -3.169
  243    HB   ILE  37           HB       ILE  37  -7.198   3.531  -2.462
  244   1HG1  ILE  37          HG1       ILE  37  -9.185   4.936  -0.627
  245   2HG1  ILE  37          HG1       ILE  37  -9.131   3.205  -1.027
  246   1HG2  ILE  37          HG2       ILE  37  -6.237   5.799  -2.885
  247   2HG2  ILE  37          HG2       ILE  37  -7.321   6.463  -1.644
  248   3HG2  ILE  37          HG2       ILE  37  -6.047   5.301  -1.219
  249   1HD1  ILE  37          HD1       ILE  37  -6.856   3.083   0.040
  250   2HD1  ILE  37          HD1       ILE  37  -7.135   4.731   0.658
  251   3HD1  ILE  37          HD1       ILE  37  -8.216   3.415   1.119
  252    H    ALA  38           H        ALA  38  -7.752   6.847  -4.609
  253    HA   ALA  38           HA       ALA  38  -7.151   5.383  -7.103
  254   1HB   ALA  38          HB1       ALA  38  -6.550   7.491  -8.011
  255   2HB   ALA  38          HB2       ALA  38  -8.168   7.568  -7.272
  256   3HB   ALA  38          HB3       ALA  38  -6.771   8.304  -6.438
  257    H    ILE  39           H        ILE  39  -5.458   4.168  -7.084
  258    HA   ILE  39           HA       ILE  39  -2.921   4.971  -5.744
  259    HB   ILE  39           HB       ILE  39  -3.847   2.262  -6.738
  260   1HG1  ILE  39          HG1       ILE  39  -5.330   2.922  -4.935
  261   2HG1  ILE  39          HG1       ILE  39  -4.163   1.732  -4.410
  262   1HG2  ILE  39          HG2       ILE  39  -1.948   1.540  -5.170
  263   2HG2  ILE  39          HG2       ILE  39  -1.458   2.337  -6.669
  264   3HG2  ILE  39          HG2       ILE  39  -1.471   3.223  -5.118
  265   1HD1  ILE  39          HD1       ILE  39  -4.498   3.447  -2.681
  266   2HD1  ILE  39          HD1       ILE  39  -2.828   3.491  -3.260
  267   3HD1  ILE  39          HD1       ILE  39  -4.001   4.719  -3.792
  268    H    ASP  40           H        ASP  40  -1.383   5.816  -6.943
  269    HA   ASP  40           HA       ASP  40  -0.770   4.837  -9.676
  270   1HB   ASP  40          HB2       ASP  40  -2.704   6.409  -9.879
  271   2HB   ASP  40          HB3       ASP  40  -1.817   7.622  -8.930
  272    H    LYS  41           H        LYS  41   0.814   6.400 -10.669
  273    HA   LYS  41           HA       LYS  41   3.215   6.815  -8.996
  274   1HB   LYS  41          HB2       LYS  41   4.158   7.789 -11.161
  275   2HB   LYS  41          HB3       LYS  41   3.984   6.071 -10.912
  276   1HG   LYS  41          HG2       LYS  41   1.682   7.417 -12.320
  277   2HG   LYS  41          HG3       LYS  41   3.211   7.321 -13.200
  278   1HD   LYS  41          HD2       LYS  41   3.420   4.968 -12.893
  279   2HD   LYS  41          HD3       LYS  41   2.077   4.941 -11.747
  280   1HE   LYS  41          HE2       LYS  41   0.506   5.470 -13.597
  281   2HE   LYS  41          HE3       LYS  41   1.846   5.367 -14.756
  282   1HZ   LYS  41          HZ1       LYS  41   1.084   3.166 -12.914
  283   2HZ   LYS  41          HZ2       LYS  41   0.497   3.241 -14.409
  284   3HZ   LYS  41          HZ3       LYS  41   2.093   3.007 -14.198
  285    H    LYS  42           H        LYS  42   1.531   8.130  -7.728
  286    HA   LYS  42           HA       LYS  42   2.425  10.861  -7.722
  287   1HB   LYS  42          HB2       LYS  42   0.763  10.860  -9.640
  288   2HB   LYS  42          HB3       LYS  42  -0.487  10.284  -8.546
  289   1HG   LYS  42          HG2       LYS  42  -0.362  12.406  -7.278
  290   2HG   LYS  42          HG3       LYS  42   1.018  12.927  -8.279
  291   1HD   LYS  42          HD2       LYS  42  -0.397  12.728 -10.323
  292   2HD   LYS  42          HD3       LYS  42  -1.775  12.243  -9.324
  293   1HE   LYS  42          HE2       LYS  42  -1.724  14.447  -8.170
  294   2HE   LYS  42          HE3       LYS  42  -0.302  14.920  -9.116
  295   1HZ   LYS  42          HZ1       LYS  42  -2.959  14.291 -10.244
  296   2HZ   LYS  42          HZ2       LYS  42  -2.328  15.802 -10.074
  297   3HZ   LYS  42          HZ3       LYS  42  -1.636  14.731 -11.112
  298    H    SER  43           H        SER  43  -0.415   8.821  -6.803
  299    HA   SER  43           HA       SER  43  -0.476   9.794  -4.055
  300   1HB   SER  43          HB2       SER  43  -2.178   7.930  -3.865
  301   2HB   SER  43          HB3       SER  43  -2.525   9.146  -5.106
  302    HG   SER  43           HG       SER  43  -2.819   7.108  -5.957
  303    H    ALA  44           H        ALA  44   0.389   6.684  -5.659
  304    HA   ALA  44           HA       ALA  44   0.887   5.306  -3.226
  305   1HB   ALA  44          HB1       ALA  44   0.279   4.379  -5.521
  306   2HB   ALA  44          HB2       ALA  44   1.977   4.548  -5.957
  307   3HB   ALA  44          HB3       ALA  44   1.522   3.479  -4.619
  308    H    HIS  45           HN       HIS  45   2.837   7.603  -4.674
  309    HA   HIS  45           HA       HIS  45   5.357   6.510  -3.526
  310   1HB   HIS  45          HB2       HIS  45   4.858   8.308  -5.937
  311   2HB   HIS  45          HB3       HIS  45   6.453   7.827  -5.387
  312    HD1  HIS  45           HND      HIS  45   3.289   6.398  -7.004
  313    HD2  HIS  45           HD       HIS  45   7.127   5.173  -5.808
  314    HE1  HIS  45           HE       HIS  45   3.647   4.153  -8.027
  315    H    LYS  46           H        LYS  46   3.038   8.823  -2.932
  316    HA   LYS  46           HA       LYS  46   4.972  10.809  -1.789
  317   1HB   LYS  46          HB2       LYS  46   3.257  11.597  -3.370
  318   2HB   LYS  46          HB3       LYS  46   1.973  10.974  -2.363
  319   1HG   LYS  46          HG2       LYS  46   2.719  12.503  -0.505
  320   2HG   LYS  46          HG3       LYS  46   3.976  13.144  -1.584
  321   1HD   LYS  46          HD2       LYS  46   2.210  13.838  -3.202
  322   2HD   LYS  46          HD3       LYS  46   0.965  13.185  -2.117
  323   1HE   LYS  46          HE2       LYS  46   1.696  14.775  -0.327
  324   2HE   LYS  46          HE3       LYS  46   2.916  15.442  -1.424
  325   1HZ   LYS  46          HZ1       LYS  46  -0.004  15.513  -1.862
  326   2HZ   LYS  46          HZ2       LYS  46   0.926  16.784  -1.395
  327   3HZ   LYS  46          HZ3       LYS  46   1.124  16.128  -2.890
  328    H    ASP  47           H        ASP  47   1.787   9.515  -1.018
  329    HA   ASP  47           HA       ASP  47   2.517   9.315   1.869
  330   1HB   ASP  47          HB2       ASP  47   1.418  11.471   1.307
  331   2HB   ASP  47          HB3       ASP  47  -0.005  10.579   0.726
  332    H    ALA  48           H        ALA  48  -0.141   8.414  -0.409
  333    HA   ALA  48           HA       ALA  48  -1.281   6.378   1.117
  334   1HB   ALA  48          HB1       ALA  48  -2.245   7.175  -0.987
  335   2HB   ALA  48          HB2       ALA  48  -0.905   6.447  -1.902
  336   3HB   ALA  48          HB3       ALA  48  -2.043   5.410  -1.020
  337    H    CYS  49           HN       CYS  49  -0.543   4.535   1.904
  338    HA   CYS  49           HA       CYS  49   0.659   2.680   2.361
  339   1HB   CYS  49          HB2       CYS  49   1.715   2.792  -0.474
  340   2HB   CYS  49          HB3       CYS  49   1.821   1.459   0.671
  341    H    LYS  50           H        LYS  50   2.812   4.683   0.362
  342    HA   LYS  50           HA       LYS  50   5.262   4.534   1.483
  343   1HB   LYS  50          HB2       LYS  50   3.548   6.891   0.680
  344   2HB   LYS  50          HB3       LYS  50   5.207   7.126   1.202
  345   1HG   LYS  50          HG2       LYS  50   4.547   5.078  -0.940
  346   2HG   LYS  50          HG3       LYS  50   4.568   6.784  -1.331
  347   1HD   LYS  50          HD2       LYS  50   6.895   5.170  -0.179
  348   2HD   LYS  50          HD3       LYS  50   6.719   5.668  -1.854
  349   1HE   LYS  50          HE2       LYS  50   6.473   8.083  -0.327
  350   2HE   LYS  50          HE3       LYS  50   7.753   7.147   0.463
  351   1HZ   LYS  50          HZ1       LYS  50   8.744   6.999  -1.839
  352   2HZ   LYS  50          HZ2       LYS  50   7.573   8.082  -2.315
  353   3HZ   LYS  50          HZ3       LYS  50   8.690   8.523  -1.210
  354    H    THR  51           H        THR  51   2.881   6.864   2.899
  355    HA   THR  51           HA       THR  51   4.651   7.667   4.980
  356    HB   THR  51           HB       THR  51   1.695   8.027   4.643
  357    HG1  THR  51           HG1      THR  51   2.479  10.044   4.139
  358   1HG2  THR  51          HG2       THR  51   1.917   9.743   6.437
  359   2HG2  THR  51          HG2       THR  51   2.086   8.106   7.084
  360   3HG2  THR  51          HG2       THR  51   3.530   9.118   6.836
  361    H    CYS  52           HN       CYS  52   2.089   5.184   5.199
  362    HA   CYS  52           HA       CYS  52   2.628   4.470   7.938
  363   1HB   CYS  52          HB2       CYS  52   0.688   3.790   6.567
  364   2HB   CYS  52          HB3       CYS  52   1.748   2.699   5.651
  365    H    HIS  53           HN       HIS  53   3.940   3.243   4.840
  366    HA   HIS  53           HA       HIS  53   5.978   1.578   5.986
  367   1HB   HIS  53          HB2       HIS  53   5.370   2.783   3.286
  368   2HB   HIS  53          HB3       HIS  53   6.928   2.059   3.573
  369    HD1  HIS  53           HND      HIS  53   6.990  -0.388   2.967
  370    HD2  HIS  53           HD       HIS  53   3.201   0.899   4.182
  371    HE1  HIS  53           HE       HIS  53   5.472  -2.432   2.870
  372    H    LYS  54           H        LYS  54   5.908   5.043   6.070
  373    HA   LYS  54           HA       LYS  54   8.826   5.482   5.914
  374   1HB   LYS  54          HB2       LYS  54   6.671   7.335   6.781
  375   2HB   LYS  54          HB3       LYS  54   8.401   7.636   6.563
  376   1HG   LYS  54          HG2       LYS  54   8.193   6.706   4.202
  377   2HG   LYS  54          HG3       LYS  54   6.470   6.794   4.432
  378   1HD   LYS  54          HD2       LYS  54   6.941   9.257   5.249
  379   2HD   LYS  54          HD3       LYS  54   8.521   8.908   4.530
  380   1HE   LYS  54          HE2       LYS  54   7.585   9.794   2.588
  381   2HE   LYS  54          HE3       LYS  54   6.871   8.190   2.440
  382   1HZ   LYS  54          HZ1       LYS  54   5.186   9.857   2.130
  383   2HZ   LYS  54          HZ2       LYS  54   4.827   9.188   3.575
  384   3HZ   LYS  54          HZ3       LYS  54   5.576  10.621   3.527
  385    H    SER  55           H        SER  55   6.281   5.611   8.486
  386    HA   SER  55           HA       SER  55   8.259   5.973  10.587
  387   1HB   SER  55          HB2       SER  55   5.263   5.499  10.749
  388   2HB   SER  55          HB3       SER  55   6.307   6.128  12.042
  389    HG   SER  55           HG       SER  55   5.254   7.822  10.857
  390    H    ASN  56           H        ASN  56   8.673   3.453   9.255
  391    HA   ASN  56           HA       ASN  56   8.663   1.578  11.456
  392   1HB   ASN  56          HB2       ASN  56   6.951   1.080   8.962
  393   2HB   ASN  56          HB3       ASN  56   7.470  -0.202  10.062
  394   1HD2  ASN  56          HD2       ASN  56   6.989   0.614  12.590
  395   2HD2  ASN  56          HD2       ASN  56   5.295   1.059  12.734
  396    H    ASN  57           H        ASN  57  10.076  -0.167  10.978
  397    HA   ASN  57           HA       ASN  57  12.183   0.433   9.059
  398   1HB   ASN  57          HB2       ASN  57  11.759  -2.017  10.818
  399   2HB   ASN  57          HB3       ASN  57  13.246  -1.581   9.963
  400   1HD2  ASN  57          HD2       ASN  57  11.646  -1.327  12.955
  401   2HD2  ASN  57          HD2       ASN  57  12.599   0.016  13.573
  402    H    GLY  58           H        GLY  58  10.322   0.391   7.338
  403   1HA   GLY  58          HA2       GLY  58   9.695  -2.326   6.313
  404   2HA   GLY  58          HA3       GLY  58   8.933  -0.794   5.871
  405    HA   PRO  59           HA       PRO  59  12.072  -2.160   2.613
  406   1HB   PRO  59          HB2       PRO  59  10.380  -2.895   0.601
  407   2HB   PRO  59          HB3       PRO  59  10.830  -3.985   1.936
  408   1HG   PRO  59          HG2       PRO  59   8.355  -2.249   1.708
  409   2HG   PRO  59          HG3       PRO  59   8.429  -4.002   2.058
  410   1HD   PRO  59          HD2       PRO  59   8.234  -2.207   4.077
  411   2HD   PRO  59          HD3       PRO  59   9.313  -3.620   4.233
  412    H    THR  60           H        THR  60  12.283   0.237   3.040
  413    HA   THR  60           HA       THR  60  10.811   2.216   1.872
  414    HB   THR  60           HB       THR  60  13.839   2.354   2.145
  415    HG1  THR  60           HG1      THR  60  11.850   2.379   4.160
  416   1HG2  THR  60          HG2       THR  60  11.621   4.384   2.684
  417   2HG2  THR  60          HG2       THR  60  13.357   4.634   2.953
  418   3HG2  THR  60          HG2       THR  60  12.742   4.419   1.303
  419    H    LYS  61           H        LYS  61  13.586   0.596   0.265
  420    HA   LYS  61           HA       LYS  61  13.681   2.533  -1.889
  421   1HB   LYS  61          HB2       LYS  61  14.994  -0.203  -1.653
  422   2HB   LYS  61          HB3       LYS  61  15.345   1.021  -2.880
  423   1HG   LYS  61          HG2       LYS  61  15.979   2.619  -0.990
  424   2HG   LYS  61          HG3       LYS  61  15.778   1.266   0.125
  425   1HD   LYS  61          HD2       LYS  61  18.083   1.347  -0.294
  426   2HD   LYS  61          HD3       LYS  61  17.493  -0.025  -1.245
  427   1HE   LYS  61          HE2       LYS  61  17.519   1.404  -3.304
  428   2HE   LYS  61          HE3       LYS  61  18.012   2.799  -2.333
  429   1HZ   LYS  61          HZ1       LYS  61  19.880   1.778  -3.431
  430   2HZ   LYS  61          HZ2       LYS  61  20.051   1.623  -1.805
  431   3HZ   LYS  61          HZ3       LYS  61  19.589   0.331  -2.711
  432    H    CYS  62           HN       CYS  62  13.368   2.127  -4.154
  433    HA   CYS  62           HA       CYS  62  10.872   1.396  -4.924
  434   1HB   CYS  62          HB2       CYS  62  13.263   0.961  -6.711
  435   2HB   CYS  62          HB3       CYS  62  11.627   1.417  -7.187
  436    H    GLY  63           H        GLY  63  13.641  -0.786  -5.481
  437   1HA   GLY  63          HA2       GLY  63  12.192  -3.042  -6.337
  438   2HA   GLY  63          HA3       GLY  63  13.816  -3.057  -5.650
  439    H    GLY  64           H        GLY  64  12.423  -1.744  -3.116
  440   1HA   GLY  64          HA2       GLY  64  12.030  -4.146  -1.563
  441   2HA   GLY  64          HA3       GLY  64  11.732  -2.461  -1.103
  442    H    CYS  65           HN       CYS  65   9.930  -1.881  -3.359
  443    HA   CYS  65           HA       CYS  65   7.480  -3.455  -2.560
  444   1HB   CYS  65          HB2       CYS  65   7.870  -0.814  -3.966
  445   2HB   CYS  65          HB3       CYS  65   6.364  -1.738  -4.016
  446    H    HIS  66           HN       HIS  66   9.225  -2.248  -5.455
  447    HA   HIS  66           HA       HIS  66   7.558  -3.807  -7.227
  448   1HB   HIS  66          HB2       HIS  66  10.046  -2.120  -7.637
  449   2HB   HIS  66          HB3       HIS  66   9.189  -2.898  -8.922
  450    HD1  HIS  66           HND      HIS  66   6.623  -2.290  -9.287
  451    HD2  HIS  66           HD       HIS  66   8.857   0.231  -6.793
  452    HE1  HIS  66           HE       HIS  66   5.342  -0.099  -9.148
  453    H    ILE  67           H        ILE  67   7.756  -5.969  -7.470
  454    HA   ILE  67           HA       ILE  67  10.055  -7.548  -6.924
  455    HB   ILE  67           HB       ILE  67   7.899  -8.122  -8.981
  456   1HG1  ILE  67          HG1       ILE  67   8.091  -8.767  -5.996
  457   2HG1  ILE  67          HG1       ILE  67   6.949  -7.665  -6.772
  458   1HG2  ILE  67          HG2       ILE  67   9.774 -10.019  -7.488
  459   2HG2  ILE  67          HG2       ILE  67   8.530 -10.485  -8.668
  460   3HG2  ILE  67          HG2       ILE  67   9.933  -9.584  -9.200
  461   1HD1  ILE  67          HD1       ILE  67   6.998 -10.674  -7.056
  462   2HD1  ILE  67          HD1       ILE  67   5.756  -9.657  -6.316
  463   3HD1  ILE  67          HD1       ILE  67   6.014  -9.590  -8.073
  464    H    LYS  68           H        LYS  68  12.020  -7.039  -7.758
  465    HA   LYS  68           HA       LYS  68  12.318  -6.304 -10.574
  466   1HB   LYS  68          HB2       LYS  68  13.320  -5.148  -8.486
  467   2HB   LYS  68          HB3       LYS  68  14.456  -6.480  -8.412
  468   1HG   LYS  68          HG2       LYS  68  14.032  -4.375 -10.537
  469   2HG   LYS  68          HG3       LYS  68  15.473  -4.623  -9.547
  470   1HD   LYS  68          HD2       LYS  68  14.492  -6.324 -11.877
  471   2HD   LYS  68          HD3       LYS  68  15.881  -5.264 -11.888
  472   1HE   LYS  68          HE2       LYS  68  17.274  -6.774 -10.887
  473   2HE   LYS  68          HE3       LYS  68  16.057  -7.296  -9.732
  474   1HZ   LYS  68          HZ1       LYS  68  16.224  -8.230 -12.522
  475   2HZ   LYS  68          HZ2       LYS  68  16.496  -9.106 -11.136
  476   3HZ   LYS  68          HZ3       LYS  68  15.001  -8.572 -11.489
  477    HHA  HEC 130           HCM      HEC  30 -10.509  -0.709  -2.884
  478    HHB  HEC 130           HDM      HEC  30 -13.497  -3.042   2.091
  479    HHC  HEC 130           HAM      HEC  30  -8.000  -3.417   5.032
  480    HHD  HEC 130           HBM      HEC  30  -5.558   0.210   0.681
  481   1HMA  HEC 130          HM8       HEC  30 -14.748  -3.508   0.147
  482   2HMA  HEC 130          HM8       HEC  30 -15.155  -1.791   0.405
  483   3HMA  HEC 130          HM8       HEC  30 -15.130  -2.481  -1.228
  484   1HAA  HEC 130          HP7       HEC  30 -12.715  -0.567  -3.277
  485   2HAA  HEC 130          HP7       HEC  30 -14.134  -1.428  -2.837
  486   1HBA  HEC 130          HP7       HEC  30 -11.660  -2.274  -4.288
  487   2HBA  HEC 130          HP7       HEC  30 -13.327  -2.735  -4.594
  488   1HMB  HEC 130          HM1       HEC  30 -14.005  -3.420   4.343
  489   2HMB  HEC 130          HM1       HEC  30 -13.379  -5.048   3.997
  490   3HMB  HEC 130          HM1       HEC  30 -13.193  -4.328   5.606
  491    HAB  HEC 130           HT2      HEC  30  -9.343  -4.285   6.345
  492   1HBB  HEC 130          HT2       HEC  30  -9.994  -6.352   5.198
  493   2HBB  HEC 130          HT2       HEC  30 -10.421  -6.383   6.919
  494   3HBB  HEC 130          HT2       HEC  30 -11.676  -6.111   5.708
  495   1HMC  HEC 130          HM3       HEC  30  -4.450  -2.360   5.010
  496   2HMC  HEC 130          HM3       HEC  30  -5.970  -2.294   5.899
  497   3HMC  HEC 130          HM3       HEC  30  -5.534  -3.756   4.967
  498    HAC  HEC 130           HT4      HEC  30  -4.423   0.497   2.373
  499   1HBC  HEC 130          HT4       HEC  30  -2.302  -0.577   3.033
  500   2HBC  HEC 130          HT4       HEC  30  -3.156  -2.127   3.154
  501   3HBC  HEC 130          HT4       HEC  30  -3.132  -1.244   1.604
  502   1HMD  HEC 130          HM5       HEC  30  -5.452   1.833  -1.272
  503   2HMD  HEC 130          HM5       HEC  30  -4.860   0.180  -1.493
  504   3HMD  HEC 130          HM5       HEC  30  -5.592   1.065  -2.862
  505   1HAD  HEC 130          HP6       HEC  30  -7.627   1.630  -3.750
  506   2HAD  HEC 130          HP6       HEC  30  -9.293   1.086  -3.728
  507   1HBD  HEC 130          HP6       HEC  30  -8.648  -1.058  -4.714
  508   2HBD  HEC 130          HP6       HEC  30  -6.962  -0.524  -4.736
  509    HHA  HEC 153           HCM      HEC  53   4.854  -5.685   5.182
  510    HHB  HEC 153           HDM      HEC  53   3.230  -3.740  -0.478
  511    HHC  HEC 153           HAM      HEC  53  -0.467   0.560   2.089
  512    HHD  HEC 153           HBM      HEC  53   1.706  -0.934   7.721
  513   1HMA  HEC 153          HM8       HEC  53   5.721  -5.331  -0.416
  514   2HMA  HEC 153          HM8       HEC  53   5.088  -6.884   0.169
  515   3HMA  HEC 153          HM8       HEC  53   4.034  -5.799  -0.719
  516   1HAA  HEC 153          HP7       HEC  53   6.539  -6.271   3.607
  517   2HAA  HEC 153          HP7       HEC  53   6.381  -6.997   2.024
  518   1HBA  HEC 153          HP7       HEC  53   5.028  -8.684   2.758
  519   2HBA  HEC 153          HP7       HEC  53   4.157  -7.657   3.894
  520   1HMB  HEC 153          HM1       HEC  53   1.806  -1.075  -2.443
  521   2HMB  HEC 153          HM1       HEC  53   2.609  -2.565  -2.076
  522   3HMB  HEC 153          HM1       HEC  53   0.865  -2.587  -2.262
  523    HAB  HEC 153           HT2      HEC  53  -1.376  -0.332  -0.217
  524   1HBB  HEC 153          HT2       HEC  53   0.388   0.557  -2.497
  525   2HBB  HEC 153          HT2       HEC  53  -0.604  -0.943  -2.461
  526   3HBB  HEC 153          HT2       HEC  53  -1.364   0.631  -2.388
  527   1HMC  HEC 153          HM3       HEC  53  -2.046   1.767   4.968
  528   2HMC  HEC 153          HM3       HEC  53  -0.660   2.828   4.652
  529   3HMC  HEC 153          HM3       HEC  53  -1.435   1.924   3.351
  530    HAC  HEC 153           HT4      HEC  53  -0.181   0.191   8.014
  531   1HBC  HEC 153          HT4       HEC  53  -1.258   2.790   6.890
  532   2HBC  HEC 153          HT4       HEC  53  -2.190   1.304   7.154
  533   3HBC  HEC 153          HT4       HEC  53  -1.429   2.136   8.508
  534   1HMD  HEC 153          HM5       HEC  53   3.501  -2.299   9.599
  535   2HMD  HEC 153          HM5       HEC  53   1.775  -2.527   9.243
  536   3HMD  HEC 153          HM5       HEC  53   2.751  -3.911   9.637
  537   1HAD  HEC 153          HP6       HEC  53   5.546  -5.471   7.243
  538   2HAD  HEC 153          HP6       HEC  53   4.052  -6.182   7.799
  539   1HBD  HEC 153          HP6       HEC  53   5.136  -3.959   9.506
  540   2HBD  HEC 153          HP6       HEC  53   6.196  -5.328   9.295
  541    HHA  HEC 166           HCM      HEC  66   3.198   1.969 -10.533
  542    HHB  HEC 166           HDM      HEC  66   9.136   3.814 -10.510
  543    HHC  HEC 166           HAM      HEC  66   9.331   3.042  -4.325
  544    HHD  HEC 166           HBM      HEC  66   3.625   0.707  -4.431
  545   1HMA  HEC 166          HM8       HEC  66   7.802   4.676 -12.689
  546   2HMA  HEC 166          HM8       HEC  66   8.592   3.079 -12.681
  547   3HMA  HEC 166          HM8       HEC  66   7.131   3.331 -13.626
  548   1HAA  HEC 166          HP7       HEC  66   4.896   3.370 -13.492
  549   2HAA  HEC 166          HP7       HEC  66   3.595   2.731 -12.496
  550   1HBA  HEC 166          HP7       HEC  66   4.660   0.498 -12.594
  551   2HBA  HEC 166          HP7       HEC  66   5.891   1.143 -13.682
  552   1HMB  HEC 166          HM1       HEC  66  10.906   5.291  -9.557
  553   2HMB  HEC 166          HM1       HEC  66  12.161   4.634  -8.503
  554   3HMB  HEC 166          HM1       HEC  66  11.484   3.621  -9.770
  555    HAB  HEC 166           HT2      HEC  66  11.190   3.824  -4.807
  556   1HBB  HEC 166          HT2       HEC  66  12.474   5.835  -5.089
  557   2HBB  HEC 166          HT2       HEC  66  11.926   6.020  -6.760
  558   3HBB  HEC 166          HT2       HEC  66  10.763   6.162  -5.433
  559   1HMC  HEC 166          HM3       HEC  66   8.490   3.023  -2.130
  560   2HMC  HEC 166          HM3       HEC  66   7.656   1.694  -1.332
  561   3HMC  HEC 166          HM3       HEC  66   9.017   1.341  -2.389
  562    HAC  HEC 166           HT4      HEC  66   4.676  -0.338  -2.868
  563   1HBC  HEC 166          HT4       HEC  66   3.975   1.664  -1.593
  564   2HBC  HEC 166          HT4       HEC  66   4.368   0.283  -0.548
  565   3HBC  HEC 166          HT4       HEC  66   5.506   1.629  -0.700
  566   1HMD  HEC 166          HM5       HEC  66   0.476   1.294  -5.985
  567   2HMD  HEC 166          HM5       HEC  66   0.899  -0.402  -6.222
  568   3HMD  HEC 166          HM5       HEC  66   1.538   0.495  -4.837
  569   1HAD  HEC 166          HP6       HEC  66   0.455   2.099  -8.821
  570   2HAD  HEC 166          HP6       HEC  66   0.345   0.440  -8.346
  571   1HBD  HEC 166          HP6       HEC  66   0.141  -0.046 -10.436
  572   2HBD  HEC 166          HP6       HEC  66   1.896   0.123 -10.536
  Start of MODEL   17
    1   1H    ALA   1          H1        ALA   1 -11.048 -11.109  -1.855
    2   2H    ALA   1          H2        ALA   1 -11.572 -10.066  -3.013
    3   3H    ALA   1          H3        ALA   1 -10.008 -10.574  -3.013
    4    HA   ALA   1           HA       ALA   1 -10.166  -8.327  -2.199
    5   1HB   ALA   1          HB1       ALA   1 -11.997  -9.536  -0.089
    6   2HB   ALA   1          HB2       ALA   1 -11.434  -7.852  -0.151
    7   3HB   ALA   1          HB3       ALA   1 -12.493  -8.477  -1.427
    8    H    ASP   2           H        ASP   2  -8.031  -9.795  -2.280
    9    HA   ASP   2           HA       ASP   2  -6.657  -9.099   0.061
   10   1HB   ASP   2          HB2       ASP   2  -7.591 -11.396   0.748
   11   2HB   ASP   2          HB3       ASP   2  -6.612 -12.082  -0.544
   12    H    VAL   3           H        VAL   3  -4.289  -9.796  -0.351
   13    HA   VAL   3           HA       VAL   3  -2.548  -9.073  -1.830
   14    HB   VAL   3           HB       VAL   3  -3.176 -11.908  -2.732
   15   1HG1  VAL   3          HG1       VAL   3  -0.755 -12.174  -2.818
   16   2HG1  VAL   3          HG1       VAL   3  -1.158 -10.769  -3.805
   17   3HG1  VAL   3          HG1       VAL   3  -0.507 -10.549  -2.168
   18   1HG2  VAL   3          HG2       VAL   3  -1.970 -10.918  -0.112
   19   2HG2  VAL   3          HG2       VAL   3  -3.383 -11.975  -0.340
   20   3HG2  VAL   3          HG2       VAL   3  -1.776 -12.576  -0.718
   21    H    VAL   4           H        VAL   4  -4.057  -7.526  -2.961
   22    HA   VAL   4           HA       VAL   4  -4.824  -8.261  -5.698
   23    HB   VAL   4           HB       VAL   4  -4.950  -5.622  -4.237
   24   1HG1  VAL   4          HG1       VAL   4  -6.408  -4.902  -6.104
   25   2HG1  VAL   4          HG1       VAL   4  -4.785  -5.259  -6.704
   26   3HG1  VAL   4          HG1       VAL   4  -6.094  -6.432  -6.951
   27   1HG2  VAL   4          HG2       VAL   4  -7.360  -6.046  -4.220
   28   2HG2  VAL   4          HG2       VAL   4  -7.084  -7.660  -4.910
   29   3HG2  VAL   4          HG2       VAL   4  -6.464  -7.257  -3.293
   30    H    THR   5           H        THR   5  -2.992  -8.903  -6.702
   31    HA   THR   5           HA       THR   5  -0.553  -7.457  -6.996
   32    HB   THR   5           HB       THR   5  -1.980  -9.610  -8.569
   33    HG1  THR   5           HG1      THR   5   0.524  -9.514  -7.228
   34   1HG2  THR   5          HG2       THR   5   0.135  -9.925  -9.863
   35   2HG2  THR   5          HG2       THR   5  -0.809  -8.515 -10.332
   36   3HG2  THR   5          HG2       THR   5   0.661  -8.309  -9.339
   37    H    TYR   6           H        TYR   6  -0.328  -5.472  -7.664
   38    HA   TYR   6           HA       TYR   6  -1.559  -4.561 -10.239
   39   1HB   TYR   6          HB2       TYR   6  -0.188  -3.206  -7.942
   40   2HB   TYR   6          HB3       TYR   6   0.073  -2.558  -9.518
   41    HD1  TYR   6           HD1      TYR   6  -2.912  -4.091  -7.746
   42    HD2  TYR   6           HD2      TYR   6  -1.331  -0.625  -9.743
   43    HE1  TYR   6           HE1      TYR   6  -4.757  -2.721  -6.818
   44    HE2  TYR   6           HE2      TYR   6  -3.228   0.735  -8.873
   45    HH   TYR   6           HH       TYR   6  -5.622  -0.642  -6.608
   46    H    GLU   7           H        GLU   7  -0.488  -5.298 -11.926
   47    HA   GLU   7           HA       GLU   7   2.336  -6.042 -11.892
   48   1HB   GLU   7          HB2       GLU   7   0.503  -6.069 -14.299
   49   2HB   GLU   7          HB3       GLU   7   1.866  -7.122 -13.924
   50   1HG   GLU   7          HG2       GLU   7   0.434  -8.088 -12.104
   51   2HG   GLU   7          HG3       GLU   7  -0.932  -7.109 -12.642
   52    H    ASN   8           H        ASN   8   3.940  -4.601 -12.471
   53    HA   ASN   8           HA       ASN   8   3.273  -2.273 -14.193
   54   1HB   ASN   8          HB2       ASN   8   4.982  -1.748 -11.801
   55   2HB   ASN   8          HB3       ASN   8   3.783  -0.718 -12.598
   56   1HD2  ASN   8          HD2       ASN   8   4.406  -2.883  -9.948
   57   2HD2  ASN   8          HD2       ASN   8   2.725  -3.103  -9.483
   58    H    ALA   9           H        ALA   9   5.123  -1.488 -15.308
   59    HA   ALA   9           HA       ALA   9   6.962  -3.503 -16.171
   60   1HB   ALA   9          HB1       ALA   9   7.096  -0.473 -16.428
   61   2HB   ALA   9          HB2       ALA   9   7.998  -1.651 -17.410
   62   3HB   ALA   9          HB3       ALA   9   6.226  -1.570 -17.522
   63    H    ALA  10           H        ALA  10   7.107  -1.222 -13.545
   64    HA   ALA  10           HA       ALA  10  10.000  -1.417 -13.103
   65   1HB   ALA  10          HB1       ALA  10   8.748   0.601 -12.542
   66   2HB   ALA  10          HB2       ALA  10   7.767  -0.300 -11.363
   67   3HB   ALA  10          HB3       ALA  10   9.512  -0.086 -11.096
   68    H    GLY  11           H        GLY  11   7.333  -3.477 -12.359
   69   1HA   GLY  11          HA2       GLY  11   8.175  -5.656 -11.207
   70   2HA   GLY  11          HA3       GLY  11   8.613  -4.585  -9.899
   71    H    ASN  12           H        ASN  12   6.246  -6.745 -10.474
   72    HA   ASN  12           HA       ASN  12   3.955  -5.170  -9.870
   73   1HB   ASN  12          HB2       ASN  12   3.880  -7.890  -8.750
   74   2HB   ASN  12          HB3       ASN  12   2.707  -6.953  -9.685
   75   1HD2  ASN  12          HD2       ASN  12   2.227  -8.432 -11.366
   76   2HD2  ASN  12          HD2       ASN  12   3.450  -9.163 -12.378
   77    H    VAL  13           H        VAL  13   2.808  -4.997  -7.873
   78    HA   VAL  13           HA       VAL  13   4.705  -4.568  -5.623
   79    HB   VAL  13           HB       VAL  13   3.837  -2.571  -6.603
   80   1HG1  VAL  13          HG1       VAL  13   1.539  -1.999  -6.632
   81   2HG1  VAL  13          HG1       VAL  13   1.637  -3.655  -7.220
   82   3HG1  VAL  13          HG1       VAL  13   1.092  -3.353  -5.563
   83   1HG2  VAL  13          HG2       VAL  13   2.610  -2.949  -3.838
   84   2HG2  VAL  13          HG2       VAL  13   4.336  -2.717  -4.103
   85   3HG2  VAL  13          HG2       VAL  13   3.195  -1.440  -4.565
   86    H    THR  14           H        THR  14   1.448  -5.867  -6.038
   87    HA   THR  14           HA       THR  14   0.177  -7.179  -4.730
   88    HB   THR  14           HB       THR  14   2.855  -7.870  -3.650
   89    HG1  THR  14           HG1      THR  14   0.657  -9.500  -4.226
   90   1HG2  THR  14          HG2       THR  14   1.827  -7.750  -1.486
   91   2HG2  THR  14          HG2       THR  14   0.314  -8.455  -2.081
   92   3HG2  THR  14          HG2       THR  14   1.797  -9.433  -1.997
   93    H    PHE  15           H        PHE  15  -1.362  -5.947  -4.030
   94    HA   PHE  15           HA       PHE  15  -1.076  -4.329  -1.534
   95   1HB   PHE  15          HB2       PHE  15  -3.229  -4.720  -3.595
   96   2HB   PHE  15          HB3       PHE  15  -3.541  -3.886  -2.087
   97    HD1  PHE  15           HD1      PHE  15  -3.251  -1.577  -2.026
   98    HD2  PHE  15           HD2      PHE  15  -1.275  -3.864  -5.096
   99    HE1  PHE  15           HE1      PHE  15  -2.922   0.470  -3.356
  100    HE2  PHE  15           HE2      PHE  15  -0.884  -1.779  -6.381
  101    HZ   PHE  15           HZ       PHE  15  -2.019   0.265  -5.715
  102    H    ASP  16           H        ASP  16  -0.918  -5.764   0.174
  103    HA   ASP  16           HA       ASP  16  -2.286  -8.210   0.392
  104   1HB   ASP  16          HB2       ASP  16  -0.978  -6.337   2.438
  105   2HB   ASP  16          HB3       ASP  16  -1.170  -8.070   2.656
  106    H    HIS  17           HN       HIS  17  -4.542  -7.200  -0.175
  107    HA   HIS  17           HA       HIS  17  -5.679  -5.283   1.429
  108   1HB   HIS  17          HB2       HIS  17  -6.501  -6.762  -0.783
  109   2HB   HIS  17          HB3       HIS  17  -7.713  -7.183   0.417
  110    HD1  HIS  17           HND      HIS  17  -7.822  -4.811  -2.203
  111    HD2  HIS  17           HD       HIS  17  -7.988  -4.486   1.992
  112    HE1  HIS  17           HE       HIS  17  -9.063  -2.767  -1.720
  113    H    LYS  18           H        LYS  18  -5.787  -8.765   1.874
  114    HA   LYS  18           HA       LYS  18  -7.252  -8.458   4.440
  115   1HB   LYS  18          HB2       LYS  18  -7.583 -10.334   2.667
  116   2HB   LYS  18          HB3       LYS  18  -6.193 -11.072   3.501
  117   1HG   LYS  18          HG2       LYS  18  -7.499 -10.611   5.699
  118   2HG   LYS  18          HG3       LYS  18  -8.918 -10.510   4.619
  119   1HD   LYS  18          HD2       LYS  18  -8.077 -12.757   3.619
  120   2HD   LYS  18          HD3       LYS  18  -6.943 -12.829   4.964
  121   1HE   LYS  18          HE2       LYS  18  -9.996 -12.872   5.101
  122   2HE   LYS  18          HE3       LYS  18  -8.879 -14.195   5.474
  123   1HZ   LYS  18          HZ1       LYS  18  -9.583 -13.186   7.522
  124   2HZ   LYS  18          HZ2       LYS  18  -8.012 -12.761   7.313
  125   3HZ   LYS  18          HZ3       LYS  18  -9.149 -11.682   7.012
  126    H    ALA  19           H        ALA  19  -4.177  -9.859   3.143
  127    HA   ALA  19           HA       ALA  19  -3.182 -10.685   5.636
  128   1HB   ALA  19          HB1       ALA  19  -1.776 -10.005   3.047
  129   2HB   ALA  19          HB2       ALA  19  -0.953 -10.755   4.429
  130   3HB   ALA  19          HB3       ALA  19  -2.304 -11.590   3.617
  131    H    HIS  20           HN       HIS  20  -2.870  -7.445   4.254
  132    HA   HIS  20           HA       HIS  20  -1.185  -6.517   6.444
  133   1HB   HIS  20          HB2       HIS  20  -2.226  -5.375   3.960
  134   2HB   HIS  20          HB3       HIS  20  -2.682  -4.368   5.278
  135    HD1  HIS  20           HND      HIS  20   0.677  -6.039   5.628
  136    HD2  HIS  20           HD       HIS  20  -0.940  -2.553   3.914
  137    HE1  HIS  20           HE       HIS  20   2.613  -4.518   5.117
  138    H    ALA  21           H        ALA  21  -4.657  -6.264   5.617
  139    HA   ALA  21           HA       ALA  21  -5.614  -4.830   7.820
  140   1HB   ALA  21          HB1       ALA  21  -6.933  -5.448   5.819
  141   2HB   ALA  21          HB2       ALA  21  -7.006  -7.129   6.410
  142   3HB   ALA  21          HB3       ALA  21  -7.745  -5.839   7.361
  143    H    GLU  22           H        GLU  22  -4.998  -8.339   7.618
  144    HA   GLU  22           HA       GLU  22  -5.926  -9.383   9.968
  145   1HB   GLU  22          HB2       GLU  22  -3.219  -9.616   8.609
  146   2HB   GLU  22          HB3       GLU  22  -3.701 -10.666   9.947
  147   1HG   GLU  22          HG2       GLU  22  -5.218 -10.524   7.323
  148   2HG   GLU  22          HG3       GLU  22  -3.980 -11.720   7.717
  149    H    LYS  23           H        LYS  23  -3.173  -7.129   9.650
  150    HA   LYS  23           HA       LYS  23  -2.739  -6.988  12.590
  151   1HB   LYS  23          HB2       LYS  23  -1.140  -5.974  10.190
  152   2HB   LYS  23          HB3       LYS  23  -0.734  -5.751  11.878
  153   1HG   LYS  23          HG2       LYS  23   0.636  -7.481  10.960
  154   2HG   LYS  23          HG3       LYS  23  -0.442  -8.208  12.160
  155   1HD   LYS  23          HD2       LYS  23  -1.759  -9.262  10.520
  156   2HD   LYS  23          HD3       LYS  23  -1.231  -8.141   9.233
  157   1HE   LYS  23          HE2       LYS  23   1.014  -9.220   9.280
  158   2HE   LYS  23          HE3       LYS  23   0.414 -10.379  10.482
  159   1HZ   LYS  23          HZ1       LYS  23  -1.227 -11.103   8.871
  160   2HZ   LYS  23          HZ2       LYS  23  -0.767  -9.961   7.793
  161   3HZ   LYS  23          HZ3       LYS  23   0.259 -11.197   8.170
  162    H    LEU  24           H        LEU  24  -3.327  -5.035   9.661
  163    HA   LEU  24           HA       LEU  24  -3.355  -2.528  11.121
  164   1HB   LEU  24          HB2       LEU  24  -3.871  -3.166   8.193
  165   2HB   LEU  24          HB3       LEU  24  -3.544  -1.579   8.879
  166    HG   LEU  24           HG       LEU  24  -1.565  -3.863   8.739
  167   1HD1  LEU  24          HD1       LEU  24  -1.610  -1.110   7.430
  168   2HD1  LEU  24          HD1       LEU  24  -0.420  -2.407   7.171
  169   3HD1  LEU  24          HD1       LEU  24  -2.096  -2.609   6.627
  170   1HD2  LEU  24          HD2       LEU  24   0.064  -2.151   9.573
  171   2HD2  LEU  24          HD2       LEU  24  -1.296  -1.075   9.950
  172   3HD2  LEU  24          HD2       LEU  24  -1.113  -2.626  10.802
  173    H    GLY  25           H        GLY  25  -5.922  -4.681  10.503
  174   1HA   GLY  25          HA2       GLY  25  -8.179  -4.516  10.769
  175   2HA   GLY  25          HA3       GLY  25  -7.760  -3.258  11.932
  176    H    CYS  26           HN       CYS  26  -7.500  -3.166   8.421
  177    HA   CYS  26           HA       CYS  26  -8.404  -1.965   6.742
  178   1HB   CYS  26          HB2       CYS  26 -10.810  -1.577   8.471
  179   2HB   CYS  26          HB3       CYS  26 -10.719  -1.450   6.706
  180    H    ASP  27           H        ASP  27  -9.387  -0.169   9.708
  181    HA   ASP  27           HA       ASP  27  -9.395   2.313   8.283
  182   1HB   ASP  27          HB2       ASP  27  -9.771   1.585  11.204
  183   2HB   ASP  27          HB3       ASP  27  -9.899   3.243  10.581
  184    H    ALA  28           H        ALA  28  -6.767   0.636   9.417
  185    HA   ALA  28           HA       ALA  28  -4.867   2.773   9.765
  186   1HB   ALA  28          HB1       ALA  28  -3.342   1.009   8.773
  187   2HB   ALA  28          HB2       ALA  28  -4.339   0.441  10.124
  188   3HB   ALA  28          HB3       ALA  28  -4.823   0.053   8.449
  189    H    CYS  29           HN       CYS  29  -6.564   1.445   6.893
  190    HA   CYS  29           HA       CYS  29  -5.040   3.266   5.044
  191   1HB   CYS  29          HB2       CYS  29  -6.528   0.669   4.600
  192   2HB   CYS  29          HB3       CYS  29  -5.822   1.694   3.342
  193    H    HIS  30           HN       HIS  30  -7.951   3.020   6.686
  194    HA   HIS  30           HA       HIS  30  -9.587   4.402   4.634
  195   1HB   HIS  30          HB2       HIS  30 -10.050   1.714   6.010
  196   2HB   HIS  30          HB3       HIS  30 -11.348   2.604   5.275
  197    HD1  HIS  30           HND      HIS  30  -9.747   3.379   2.568
  198    HD2  HIS  30           HD       HIS  30  -9.854  -0.343   4.418
  199    HE1  HIS  30           HE       HIS  30  -9.500   1.629   0.688
  200    H    GLU  31           H        GLU  31 -11.727   5.065   5.589
  201    HA   GLU  31           HA       GLU  31 -11.246   5.981   8.386
  202   1HB   GLU  31          HB2       GLU  31 -12.127   7.664   6.016
  203   2HB   GLU  31          HB3       GLU  31 -12.080   8.195   7.705
  204   1HG   GLU  31          HG2       GLU  31  -9.621   7.744   7.773
  205   2HG   GLU  31          HG3       GLU  31  -9.663   7.331   6.051
  206    H    GLY  32           H        GLY  32 -12.736   3.987   8.635
  207   1HA   GLY  32          HA2       GLY  32 -14.760   3.369   9.538
  208   2HA   GLY  32          HA3       GLY  32 -15.435   4.972   9.215
  209    H    THR  33           H        THR  33 -15.317   5.302   6.588
  210    HA   THR  33           HA       THR  33 -16.885   3.102   5.310
  211    HB   THR  33           HB       THR  33 -16.362   5.942   4.374
  212    HG1  THR  33           HG1      THR  33 -17.736   5.608   6.232
  213   1HG2  THR  33          HG2       THR  33 -18.198   5.434   2.780
  214   2HG2  THR  33          HG2       THR  33 -16.797   4.395   2.468
  215   3HG2  THR  33          HG2       THR  33 -18.216   3.747   3.325
  216    HA   PRO  34           HA       PRO  34 -12.741   2.457   3.340
  217   1HB   PRO  34          HB2       PRO  34 -12.927  -0.138   2.745
  218   2HB   PRO  34          HB3       PRO  34 -12.663   0.370   4.436
  219   1HG   PRO  34          HG2       PRO  34 -15.321  -0.343   3.145
  220   2HG   PRO  34          HG3       PRO  34 -14.647  -0.986   4.673
  221   1HD   PRO  34          HD2       PRO  34 -16.395   1.085   4.632
  222   2HD   PRO  34          HD3       PRO  34 -15.040   1.045   5.803
  223    H    ALA  35           H        ALA  35 -12.257   2.315   1.072
  224    HA   ALA  35           HA       ALA  35 -14.371   1.902  -0.888
  225   1HB   ALA  35          HB1       ALA  35 -15.070   4.082   0.090
  226   2HB   ALA  35          HB2       ALA  35 -13.453   4.738  -0.219
  227   3HB   ALA  35          HB3       ALA  35 -14.510   4.289  -1.576
  228    H    LYS  36           H        LYS  36 -13.646   2.595  -3.107
  229    HA   LYS  36           HA       LYS  36 -10.933   1.676  -3.532
  230   1HB   LYS  36          HB2       LYS  36 -11.342   2.070  -5.888
  231   2HB   LYS  36          HB3       LYS  36 -12.417   0.905  -5.125
  232   1HG   LYS  36          HG2       LYS  36 -14.296   2.289  -5.265
  233   2HG   LYS  36          HG3       LYS  36 -13.347   3.776  -5.457
  234   1HD   LYS  36          HD2       LYS  36 -12.575   3.150  -7.642
  235   2HD   LYS  36          HD3       LYS  36 -13.293   1.543  -7.541
  236   1HE   LYS  36          HE2       LYS  36 -14.903   4.150  -7.463
  237   2HE   LYS  36          HE3       LYS  36 -14.540   3.273  -8.954
  238   1HZ   LYS  36          HZ1       LYS  36 -16.692   2.656  -8.102
  239   2HZ   LYS  36          HZ2       LYS  36 -15.683   1.358  -8.067
  240   3HZ   LYS  36          HZ3       LYS  36 -16.044   2.153  -6.677
  241    H    ILE  37           H        ILE  37  -9.644   3.064  -2.510
  242    HA   ILE  37           HA       ILE  37  -9.211   5.834  -3.199
  243    HB   ILE  37           HB       ILE  37  -7.239   3.714  -2.256
  244   1HG1  ILE  37          HG1       ILE  37  -8.713   5.793  -0.573
  245   2HG1  ILE  37          HG1       ILE  37  -9.258   4.123  -0.728
  246   1HG2  ILE  37          HG2       ILE  37  -5.864   5.639  -1.498
  247   2HG2  ILE  37          HG2       ILE  37  -6.136   5.746  -3.230
  248   3HG2  ILE  37          HG2       ILE  37  -7.077   6.767  -2.131
  249   1HD1  ILE  37          HD1       ILE  37  -7.106   3.298   0.172
  250   2HD1  ILE  37          HD1       ILE  37  -6.614   4.981   0.484
  251   3HD1  ILE  37          HD1       ILE  37  -8.031   4.311   1.296
  252    H    ALA  38           H        ALA  38  -8.267   6.715  -5.060
  253    HA   ALA  38           HA       ALA  38  -7.547   4.883  -7.230
  254   1HB   ALA  38          HB1       ALA  38  -7.433   7.904  -7.140
  255   2HB   ALA  38          HB2       ALA  38  -7.212   6.831  -8.550
  256   3HB   ALA  38          HB3       ALA  38  -8.791   6.902  -7.729
  257    H    ILE  39           H        ILE  39  -5.768   3.845  -7.083
  258    HA   ILE  39           HA       ILE  39  -3.282   5.122  -6.088
  259    HB   ILE  39           HB       ILE  39  -3.856   2.204  -6.560
  260   1HG1  ILE  39          HG1       ILE  39  -5.287   3.075  -4.763
  261   2HG1  ILE  39          HG1       ILE  39  -4.019   2.038  -4.196
  262   1HG2  ILE  39          HG2       ILE  39  -1.497   3.815  -5.602
  263   2HG2  ILE  39          HG2       ILE  39  -1.738   2.213  -4.914
  264   3HG2  ILE  39          HG2       ILE  39  -1.534   2.394  -6.671
  265   1HD1  ILE  39          HD1       ILE  39  -3.984   5.072  -3.978
  266   2HD1  ILE  39          HD1       ILE  39  -4.285   3.915  -2.675
  267   3HD1  ILE  39          HD1       ILE  39  -2.684   3.989  -3.427
  268    H    ASP  40           H        ASP  40  -2.013   5.996  -7.483
  269    HA   ASP  40           HA       ASP  40  -1.281   4.487  -9.918
  270   1HB   ASP  40          HB2       ASP  40  -2.698   6.540 -10.401
  271   2HB   ASP  40          HB3       ASP  40  -1.389   7.534  -9.746
  272    H    LYS  41           H        LYS  41   0.900   5.792 -10.540
  273    HA   LYS  41           HA       LYS  41   2.974   5.142  -8.515
  274   1HB   LYS  41          HB2       LYS  41   4.530   5.862 -10.545
  275   2HB   LYS  41          HB3       LYS  41   3.633   4.345 -10.612
  276   1HG   LYS  41          HG2       LYS  41   1.958   5.183 -11.849
  277   2HG   LYS  41          HG3       LYS  41   2.565   6.897 -11.792
  278   1HD   LYS  41          HD2       LYS  41   4.360   6.042 -13.379
  279   2HD   LYS  41          HD3       LYS  41   3.535   4.464 -13.345
  280   1HE   LYS  41          HE2       LYS  41   2.422   7.106 -14.369
  281   2HE   LYS  41          HE3       LYS  41   2.655   5.596 -15.263
  282   1HZ   LYS  41          HZ1       LYS  41   0.653   6.145 -13.134
  283   2HZ   LYS  41          HZ2       LYS  41   0.317   5.808 -14.688
  284   3HZ   LYS  41          HZ3       LYS  41   0.938   4.641 -13.692
  285    H    LYS  42           H        LYS  42   1.290   7.154  -7.784
  286    HA   LYS  42           HA       LYS  42   2.873   9.626  -7.620
  287   1HB   LYS  42          HB2       LYS  42   1.631   9.732  -9.752
  288   2HB   LYS  42          HB3       LYS  42   0.101   9.468  -8.907
  289   1HG   LYS  42          HG2       LYS  42   0.546  11.574  -7.574
  290   2HG   LYS  42          HG3       LYS  42   1.995  11.844  -8.552
  291   1HD   LYS  42          HD2       LYS  42  -0.882  11.655  -9.583
  292   2HD   LYS  42          HD3       LYS  42   0.024  13.155  -9.318
  293   1HE   LYS  42          HE2       LYS  42   1.734  12.375 -11.007
  294   2HE   LYS  42          HE3       LYS  42   0.719  10.960 -11.343
  295   1HZ   LYS  42          HZ1       LYS  42   0.321  12.700 -12.920
  296   2HZ   LYS  42          HZ2       LYS  42  -1.036  12.427 -12.035
  297   3HZ   LYS  42          HZ3       LYS  42  -0.111  13.757 -11.738
  298    H    SER  43           H        SER  43  -0.573   8.467  -7.065
  299    HA   SER  43           HA       SER  43  -0.708   9.561  -4.428
  300   1HB   SER  43          HB2       SER  43  -2.630   7.810  -4.283
  301   2HB   SER  43          HB3       SER  43  -2.750   9.171  -5.409
  302    HG   SER  43           HG       SER  43  -3.305   7.233  -6.419
  303    H    ALA  44           H        ALA  44   0.146   6.248  -5.594
  304    HA   ALA  44           HA       ALA  44   0.612   4.979  -3.118
  305   1HB   ALA  44          HB1       ALA  44   0.688   3.796  -5.257
  306   2HB   ALA  44          HB2       ALA  44   2.128   4.702  -5.751
  307   3HB   ALA  44          HB3       ALA  44   2.216   3.591  -4.377
  308    H    HIS  45           HN       HIS  45   2.935   6.713  -5.157
  309    HA   HIS  45           HA       HIS  45   5.135   6.395  -3.362
  310   1HB   HIS  45          HB2       HIS  45   4.803   8.201  -5.771
  311   2HB   HIS  45          HB3       HIS  45   6.331   7.847  -4.965
  312    HD1  HIS  45           HND      HIS  45   5.367   7.151  -8.062
  313    HD2  HIS  45           HD       HIS  45   6.037   4.597  -4.780
  314    HE1  HIS  45           HE       HIS  45   6.076   4.932  -9.015
  315    H    LYS  46           H        LYS  46   2.823   9.033  -3.914
  316    HA   LYS  46           HA       LYS  46   4.302  11.131  -2.640
  317   1HB   LYS  46          HB2       LYS  46   2.454  11.584  -4.141
  318   2HB   LYS  46          HB3       LYS  46   1.319  10.691  -3.144
  319   1HG   LYS  46          HG2       LYS  46   1.653  12.305  -1.324
  320   2HG   LYS  46          HG3       LYS  46   2.765  13.244  -2.334
  321   1HD   LYS  46          HD2       LYS  46   0.986  13.895  -3.804
  322   2HD   LYS  46          HD3       LYS  46  -0.065  12.590  -3.260
  323   1HE   LYS  46          HE2       LYS  46  -0.623  14.984  -2.446
  324   2HE   LYS  46          HE3       LYS  46  -0.709  13.639  -1.298
  325   1HZ   LYS  46          HZ1       LYS  46   1.246  14.211  -0.312
  326   2HZ   LYS  46          HZ2       LYS  46   1.705  15.299  -1.479
  327   3HZ   LYS  46          HZ3       LYS  46   0.450  15.620  -0.445
  328    H    ASP  47           H        ASP  47   1.369   9.552  -1.508
  329    HA   ASP  47           HA       ASP  47   2.322   9.640   1.307
  330   1HB   ASP  47          HB2       ASP  47  -0.006  11.017  -0.049
  331   2HB   ASP  47          HB3       ASP  47  -0.221  10.408   1.579
  332    H    ALA  48           H        ALA  48  -0.205   8.316  -0.838
  333    HA   ALA  48           HA       ALA  48  -1.835   7.121   0.899
  334   1HB   ALA  48          HB1       ALA  48  -0.928   5.873  -1.718
  335   2HB   ALA  48          HB2       ALA  48  -2.456   5.543  -0.879
  336   3HB   ALA  48          HB3       ALA  48  -2.136   7.160  -1.543
  337    H    CYS  49           HN       CYS  49   1.105   5.482  -0.256
  338    HA   CYS  49           HA       CYS  49   0.808   3.472   1.967
  339   1HB   CYS  49          HB2       CYS  49   1.957   3.098  -0.809
  340   2HB   CYS  49          HB3       CYS  49   1.999   1.913   0.516
  341    H    LYS  50           H        LYS  50   3.298   5.210   0.021
  342    HA   LYS  50           HA       LYS  50   5.423   4.492   1.676
  343   1HB   LYS  50          HB2       LYS  50   5.036   6.929  -0.072
  344   2HB   LYS  50          HB3       LYS  50   6.492   6.587   0.863
  345   1HG   LYS  50          HG2       LYS  50   6.169   4.155  -0.342
  346   2HG   LYS  50          HG3       LYS  50   5.465   5.187  -1.565
  347   1HD   LYS  50          HD2       LYS  50   8.258   5.372  -0.309
  348   2HD   LYS  50          HD3       LYS  50   7.881   4.755  -1.928
  349   1HE   LYS  50          HE2       LYS  50   7.154   6.958  -2.672
  350   2HE   LYS  50          HE3       LYS  50   7.404   7.642  -1.053
  351   1HZ   LYS  50          HZ1       LYS  50   9.206   8.129  -2.523
  352   2HZ   LYS  50          HZ2       LYS  50   9.752   7.143  -1.325
  353   3HZ   LYS  50          HZ3       LYS  50   9.480   6.539  -2.833
  354    H    THR  51           H        THR  51   3.164   7.302   2.302
  355    HA   THR  51           HA       THR  51   4.867   8.220   4.445
  356    HB   THR  51           HB       THR  51   1.992   8.890   3.796
  357    HG1  THR  51           HG1      THR  51   3.030  10.736   3.048
  358   1HG2  THR  51          HG2       THR  51   2.339  10.816   5.325
  359   2HG2  THR  51          HG2       THR  51   2.297   9.288   6.217
  360   3HG2  THR  51          HG2       THR  51   3.855  10.089   5.893
  361    H    CYS  52           HN       CYS  52   2.187   5.840   4.426
  362    HA   CYS  52           HA       CYS  52   2.216   5.525   7.333
  363   1HB   CYS  52          HB2       CYS  52   0.357   4.659   6.041
  364   2HB   CYS  52          HB3       CYS  52   1.448   3.516   5.216
  365    H    HIS  53           HN       HIS  53   3.808   3.764   4.626
  366    HA   HIS  53           HA       HIS  53   5.385   2.011   6.157
  367   1HB   HIS  53          HB2       HIS  53   5.812   3.432   3.526
  368   2HB   HIS  53          HB3       HIS  53   6.968   2.269   4.128
  369    HD1  HIS  53           HND      HIS  53   6.057   1.001   1.736
  370    HD2  HIS  53           HD       HIS  53   3.584   1.044   5.108
  371    HE1  HIS  53           HE       HIS  53   4.404  -0.974   1.501
  372    H    LYS  54           H        LYS  54   6.267   5.397   5.317
  373    HA   LYS  54           HA       LYS  54   8.770   5.544   6.673
  374   1HB   LYS  54          HB2       LYS  54   6.671   7.648   6.233
  375   2HB   LYS  54          HB3       LYS  54   8.297   7.872   6.905
  376   1HG   LYS  54          HG2       LYS  54   9.130   6.580   4.804
  377   2HG   LYS  54          HG3       LYS  54   7.593   7.098   4.105
  378   1HD   LYS  54          HD2       LYS  54   8.158   9.434   5.057
  379   2HD   LYS  54          HD3       LYS  54   9.754   8.747   5.453
  380   1HE   LYS  54          HE2       LYS  54  10.196   8.361   3.044
  381   2HE   LYS  54          HE3       LYS  54   8.563   8.922   2.632
  382   1HZ   LYS  54          HZ1       LYS  54  10.201  10.671   2.317
  383   2HZ   LYS  54          HZ2       LYS  54   9.138  11.087   3.500
  384   3HZ   LYS  54          HZ3       LYS  54  10.652  10.585   3.897
  385    H    SER  55           H        SER  55   5.507   5.413   8.066
  386    HA   SER  55           HA       SER  55   6.390   6.340  10.713
  387   1HB   SER  55          HB2       SER  55   4.104   6.748   9.615
  388   2HB   SER  55          HB3       SER  55   3.742   5.054   9.975
  389    HG   SER  55           HG       SER  55   4.578   6.973  11.912
  390    H    ASN  56           H        ASN  56   7.154   3.553   9.101
  391    HA   ASN  56           HA       ASN  56   7.553   2.078  11.573
  392   1HB   ASN  56          HB2       ASN  56   5.266   1.588   9.879
  393   2HB   ASN  56          HB3       ASN  56   6.370   0.262   9.580
  394   1HD2  ASN  56          HD2       ASN  56   5.319   2.259  12.417
  395   2HD2  ASN  56          HD2       ASN  56   4.988   0.856  13.434
  396    H    ASN  57           H        ASN  57   8.292  -0.363  10.294
  397    HA   ASN  57           HA       ASN  57  10.966   0.390   9.443
  398   1HB   ASN  57          HB2       ASN  57   9.759  -2.388   9.191
  399   2HB   ASN  57          HB3       ASN  57  11.447  -1.925   9.351
  400   1HD2  ASN  57          HD2       ASN  57   8.608  -2.893  10.997
  401   2HD2  ASN  57          HD2       ASN  57   9.181  -2.556  12.640
  402    H    GLY  58           H        GLY  58   8.529  -1.598   7.742
  403   1HA   GLY  58          HA2       GLY  58   7.687  -1.530   5.636
  404   2HA   GLY  58          HA3       GLY  58   8.251   0.139   5.545
  405    HA   PRO  59           HA       PRO  59  10.608  -2.490   2.404
  406   1HB   PRO  59          HB2       PRO  59   9.361  -1.657   0.116
  407   2HB   PRO  59          HB3       PRO  59   8.761  -3.003   1.109
  408   1HG   PRO  59          HG2       PRO  59   7.841  -0.132   1.068
  409   2HG   PRO  59          HG3       PRO  59   6.837  -1.618   1.080
  410   1HD   PRO  59          HD2       PRO  59   7.439  -0.126   3.354
  411   2HD   PRO  59          HD3       PRO  59   7.090  -1.869   3.390
  412    H    THR  60           H        THR  60  12.001  -0.834   3.496
  413    HA   THR  60           HA       THR  60  12.202   1.828   2.432
  414    HB   THR  60           HB       THR  60  12.815   1.142   4.706
  415    HG1  THR  60           HG1      THR  60  13.583   3.086   3.936
  416   1HG2  THR  60          HG2       THR  60  14.069  -0.948   4.231
  417   2HG2  THR  60          HG2       THR  60  15.380   0.013   3.510
  418   3HG2  THR  60          HG2       THR  60  14.980   0.205   5.220
  419    H    LYS  61           H        LYS  61  12.190   0.205   0.208
  420    HA   LYS  61           HA       LYS  61  14.370   1.193  -1.341
  421   1HB   LYS  61          HB2       LYS  61  15.469  -0.786  -0.133
  422   2HB   LYS  61          HB3       LYS  61  14.301  -1.827  -0.962
  423   1HG   LYS  61          HG2       LYS  61  15.236  -1.034  -3.161
  424   2HG   LYS  61          HG3       LYS  61  16.397  -0.031  -2.260
  425   1HD   LYS  61          HD2       LYS  61  17.252  -2.094  -1.134
  426   2HD   LYS  61          HD3       LYS  61  16.112  -3.070  -2.080
  427   1HE   LYS  61          HE2       LYS  61  17.198  -2.261  -4.192
  428   2HE   LYS  61          HE3       LYS  61  18.339  -1.306  -3.231
  429   1HZ   LYS  61          HZ1       LYS  61  19.134  -3.365  -2.251
  430   2HZ   LYS  61          HZ2       LYS  61  18.084  -4.248  -3.155
  431   3HZ   LYS  61          HZ3       LYS  61  19.293  -3.408  -3.886
  432    H    CYS  62           HN       CYS  62  13.756   1.110  -3.518
  433    HA   CYS  62           HA       CYS  62  11.118   0.920  -4.280
  434   1HB   CYS  62          HB2       CYS  62  13.425   0.181  -6.086
  435   2HB   CYS  62          HB3       CYS  62  11.856   0.818  -6.579
  436    H    GLY  63           H        GLY  63  13.490  -1.673  -4.803
  437   1HA   GLY  63          HA2       GLY  63  11.999  -3.699  -5.882
  438   2HA   GLY  63          HA3       GLY  63  13.311  -3.957  -4.730
  439    H    GLY  64           H        GLY  64  11.888  -2.666  -2.440
  440   1HA   GLY  64          HA2       GLY  64  10.609  -4.995  -1.366
  441   2HA   GLY  64          HA3       GLY  64  10.614  -3.372  -0.683
  442    H    CYS  65           HN       CYS  65   9.375  -2.320  -3.313
  443    HA   CYS  65           HA       CYS  65   6.563  -3.390  -3.023
  444   1HB   CYS  65          HB2       CYS  65   7.648  -0.683  -3.757
  445   2HB   CYS  65          HB3       CYS  65   5.972  -1.161  -4.020
  446    H    HIS  66           HN       HIS  66   9.087  -4.098  -4.892
  447    HA   HIS  66           HA       HIS  66   7.548  -4.114  -7.417
  448   1HB   HIS  66          HB2       HIS  66  10.057  -2.483  -6.997
  449   2HB   HIS  66          HB3       HIS  66   9.489  -2.956  -8.566
  450    HD1  HIS  66           HND      HIS  66   6.663  -2.414  -8.778
  451    HD2  HIS  66           HD       HIS  66   9.159   0.030  -6.489
  452    HE1  HIS  66           HE       HIS  66   5.523  -0.151  -8.668
  453    H    ILE  67           H        ILE  67   7.556  -6.277  -7.488
  454    HA   ILE  67           HA       ILE  67   9.574  -8.117  -7.044
  455    HB   ILE  67           HB       ILE  67   7.386  -8.030  -9.141
  456   1HG1  ILE  67          HG1       ILE  67   6.704  -8.060  -6.717
  457   2HG1  ILE  67          HG1       ILE  67   6.086  -9.377  -7.706
  458   1HG2  ILE  67          HG2       ILE  67   9.173 -10.395  -8.490
  459   2HG2  ILE  67          HG2       ILE  67   7.596 -10.522  -9.301
  460   3HG2  ILE  67          HG2       ILE  67   8.902  -9.621 -10.065
  461   1HD1  ILE  67          HD1       ILE  67   7.741 -10.924  -6.729
  462   2HD1  ILE  67          HD1       ILE  67   8.451  -9.593  -5.783
  463   3HD1  ILE  67          HD1       ILE  67   6.794 -10.124  -5.469
  464    H    LYS  68           H        LYS  68  11.222  -9.142  -8.187
  465    HA   LYS  68           HA       LYS  68  12.036  -8.378 -10.820
  466   1HB   LYS  68          HB2       LYS  68  14.213  -7.457 -10.191
  467   2HB   LYS  68          HB3       LYS  68  12.892  -6.441  -9.627
  468   1HG   LYS  68          HG2       LYS  68  13.657  -6.538  -7.555
  469   2HG   LYS  68          HG3       LYS  68  13.330  -8.263  -7.513
  470   1HD   LYS  68          HD2       LYS  68  15.952  -7.001  -8.442
  471   2HD   LYS  68          HD3       LYS  68  15.654  -7.739  -6.853
  472   1HE   LYS  68          HE2       LYS  68  15.075  -9.912  -8.040
  473   2HE   LYS  68          HE3       LYS  68  15.594  -9.156  -9.563
  474   1HZ   LYS  68          HZ1       LYS  68  17.769  -8.900  -8.627
  475   2HZ   LYS  68          HZ2       LYS  68  17.291  -9.629  -7.221
  476   3HZ   LYS  68          HZ3       LYS  68  17.289 -10.474  -8.633
  477    HHA  HEC 130           HCM      HEC  30 -10.504  -0.428  -2.774
  478    HHB  HEC 130           HDM      HEC  30 -13.272  -2.835   2.288
  479    HHC  HEC 130           HAM      HEC  30  -7.614  -3.415   4.900
  480    HHD  HEC 130           HBM      HEC  30  -5.340   0.331   0.565
  481   1HMA  HEC 130          HM8       HEC  30 -15.193  -1.587  -0.687
  482   2HMA  HEC 130          HM8       HEC  30 -14.705  -3.127   0.016
  483   3HMA  HEC 130          HM8       HEC  30 -14.953  -1.696   1.055
  484   1HAA  HEC 130          HP7       HEC  30 -12.644  -0.166  -3.082
  485   2HAA  HEC 130          HP7       HEC  30 -14.199  -0.487  -2.349
  486   1HBA  HEC 130          HP7       HEC  30 -12.377  -2.614  -3.535
  487   2HBA  HEC 130          HP7       HEC  30 -13.685  -1.811  -4.405
  488   1HMB  HEC 130          HM1       HEC  30 -13.198  -4.819   4.037
  489   2HMB  HEC 130          HM1       HEC  30 -12.756  -4.359   5.690
  490   3HMB  HEC 130          HM1       HEC  30 -13.581  -3.196   4.662
  491    HAB  HEC 130           HT2      HEC  30  -8.910  -4.245   6.272
  492   1HBB  HEC 130          HT2       HEC  30  -9.965  -6.360   6.885
  493   2HBB  HEC 130          HT2       HEC  30 -11.239  -6.093   5.690
  494   3HBB  HEC 130          HT2       HEC  30  -9.561  -6.313   5.155
  495   1HMC  HEC 130          HM3       HEC  30  -4.055  -2.316   4.773
  496   2HMC  HEC 130          HM3       HEC  30  -5.528  -2.776   5.617
  497   3HMC  HEC 130          HM3       HEC  30  -4.886  -3.806   4.299
  498    HAC  HEC 130           HT4      HEC  30  -4.138   0.618   2.228
  499   1HBC  HEC 130          HT4       HEC  30  -2.891  -2.035   2.897
  500   2HBC  HEC 130          HT4       HEC  30  -2.828  -1.090   1.401
  501   3HBC  HEC 130          HT4       HEC  30  -1.993  -0.500   2.856
  502   1HMD  HEC 130          HM5       HEC  30  -4.680   0.309  -1.531
  503   2HMD  HEC 130          HM5       HEC  30  -5.411   0.821  -3.045
  504   3HMD  HEC 130          HM5       HEC  30  -5.326   1.958  -1.682
  505   1HAD  HEC 130          HP6       HEC  30  -7.391   1.219  -4.107
  506   2HAD  HEC 130          HP6       HEC  30  -8.983   0.521  -4.163
  507   1HBD  HEC 130          HP6       HEC  30  -6.343  -0.993  -4.225
  508   2HBD  HEC 130          HP6       HEC  30  -7.456  -0.756  -5.569
  509    HHA  HEC 153           HCM      HEC  53   5.933  -3.701   5.156
  510    HHB  HEC 153           HDM      HEC  53   2.285  -4.066   0.092
  511    HHC  HEC 153           HAM      HEC  53  -0.198   1.359   1.978
  512    HHD  HEC 153           HBM      HEC  53   1.464  -0.162   7.739
  513   1HMA  HEC 153          HM8       HEC  53   3.484  -6.349   0.523
  514   2HMA  HEC 153          HM8       HEC  53   4.418  -5.125  -0.364
  515   3HMA  HEC 153          HM8       HEC  53   5.254  -6.297   0.652
  516   1HAA  HEC 153          HP7       HEC  53   6.089  -6.515   2.698
  517   2HAA  HEC 153          HP7       HEC  53   6.378  -5.662   4.190
  518   1HBA  HEC 153          HP7       HEC  53   7.674  -3.956   2.968
  519   2HBA  HEC 153          HP7       HEC  53   7.387  -4.825   1.450
  520   1HMB  HEC 153          HM1       HEC  53   0.076  -2.330  -1.993
  521   2HMB  HEC 153          HM1       HEC  53   1.619  -1.486  -2.279
  522   3HMB  HEC 153          HM1       HEC  53   1.613  -3.136  -1.704
  523    HAB  HEC 153           HT2      HEC  53  -1.265   0.195  -0.640
  524   1HBB  HEC 153          HT2       HEC  53  -0.518   1.379  -2.681
  525   2HBB  HEC 153          HT2       HEC  53   1.142   0.827  -2.372
  526   3HBB  HEC 153          HT2       HEC  53  -0.184  -0.320  -2.727
  527   1HMC  HEC 153          HM3       HEC  53  -0.786   3.489   4.206
  528   2HMC  HEC 153          HM3       HEC  53  -1.611   2.384   3.112
  529   3HMC  HEC 153          HM3       HEC  53  -2.145   2.488   4.743
  530    HAC  HEC 153           HT4      HEC  53  -0.329   1.099   7.934
  531   1HBC  HEC 153          HT4       HEC  53  -2.384   1.985   6.901
  532   2HBC  HEC 153          HT4       HEC  53  -1.724   2.944   8.234
  533   3HBC  HEC 153          HT4       HEC  53  -1.532   3.519   6.590
  534   1HMD  HEC 153          HM5       HEC  53   2.566  -1.562   9.486
  535   2HMD  HEC 153          HM5       HEC  53   4.311  -1.672   9.693
  536   3HMD  HEC 153          HM5       HEC  53   3.583  -0.134   9.194
  537   1HAD  HEC 153          HP6       HEC  53   6.247  -2.008   8.480
  538   2HAD  HEC 153          HP6       HEC  53   6.747  -2.991   7.116
  539   1HBD  HEC 153          HP6       HEC  53   5.501  -4.889   7.901
  540   2HBD  HEC 153          HP6       HEC  53   4.743  -3.943   9.186
  541    HHA  HEC 166           HCM      HEC  66   3.752   2.005 -10.489
  542    HHB  HEC 166           HDM      HEC  66   9.809   3.442 -10.131
  543    HHC  HEC 166           HAM      HEC  66   9.660   2.696  -3.947
  544    HHD  HEC 166           HBM      HEC  66   3.673   1.139  -4.312
  545   1HMA  HEC 166          HM8       HEC  66   9.265   2.875 -12.473
  546   2HMA  HEC 166          HM8       HEC  66   7.846   3.525 -13.304
  547   3HMA  HEC 166          HM8       HEC  66   8.698   4.527 -12.129
  548   1HAA  HEC 166          HP7       HEC  66   5.561   3.416 -13.209
  549   2HAA  HEC 166          HP7       HEC  66   4.389   2.336 -12.493
  550   1HBA  HEC 166          HP7       HEC  66   5.831   0.403 -12.989
  551   2HBA  HEC 166          HP7       HEC  66   6.960   1.473 -13.817
  552   1HMB  HEC 166          HM1       HEC  66  12.845   3.787  -8.007
  553   2HMB  HEC 166          HM1       HEC  66  12.021   3.005  -9.344
  554   3HMB  HEC 166          HM1       HEC  66  11.767   4.741  -9.035
  555    HAB  HEC 166           HT2      HEC  66  11.582   3.365  -4.329
  556   1HBB  HEC 166          HT2       HEC  66  11.504   5.698  -5.148
  557   2HBB  HEC 166          HT2       HEC  66  13.122   5.176  -4.629
  558   3HBB  HEC 166          HT2       HEC  66  12.741   5.303  -6.348
  559   1HMC  HEC 166          HM3       HEC  66   7.739   1.558  -1.022
  560   2HMC  HEC 166          HM3       HEC  66   8.979   0.927  -2.091
  561   3HMC  HEC 166          HM3       HEC  66   8.872   2.670  -1.782
  562    HAC  HEC 166           HT4      HEC  66   4.440   0.166  -2.617
  563   1HBC  HEC 166          HT4       HEC  66   5.658   1.761  -0.352
  564   2HBC  HEC 166          HT4       HEC  66   4.232   2.253  -1.278
  565   3HBC  HEC 166          HT4       HEC  66   4.199   0.753  -0.342
  566   1HMD  HEC 166          HM5       HEC  66   0.555   1.255  -6.313
  567   2HMD  HEC 166          HM5       HEC  66   1.517  -0.062  -5.633
  568   3HMD  HEC 166          HM5       HEC  66   1.512   1.522  -4.866
  569   1HAD  HEC 166          HP6       HEC  66   0.660   2.240  -8.634
  570   2HAD  HEC 166          HP6       HEC  66   0.858   0.524  -8.463
  571   1HBD  HEC 166          HP6       HEC  66   0.426   0.629 -10.600
  572   2HBD  HEC 166          HP6       HEC  66   2.158   0.523 -10.636
  Start of MODEL   18
    1   1H    ALA   1          H1        ALA   1 -11.541  -6.842  -0.416
    2   2H    ALA   1          H2        ALA   1 -10.838  -5.962  -1.633
    3   3H    ALA   1          H3        ALA   1 -12.298  -6.445  -1.864
    4    HA   ALA   1           HA       ALA   1 -11.664  -8.728  -2.125
    5   1HB   ALA   1          HB1       ALA   1 -10.946  -7.241  -3.999
    6   2HB   ALA   1          HB2       ALA   1  -9.371  -7.035  -3.211
    7   3HB   ALA   1          HB3       ALA   1  -9.867  -8.633  -3.819
    8    H    ASP   2           H        ASP   2  -9.104  -9.901  -2.361
    9    HA   ASP   2           HA       ASP   2  -8.310 -10.082   0.506
   10   1HB   ASP   2          HB2       ASP   2  -8.591 -12.099  -1.778
   11   2HB   ASP   2          HB3       ASP   2  -7.605 -12.440  -0.351
   12    H    VAL   3           H        VAL   3  -6.646 -11.037  -2.512
   13    HA   VAL   3           HA       VAL   3  -4.409  -9.219  -1.759
   14    HB   VAL   3           HB       VAL   3  -4.057 -12.071  -2.762
   15   1HG1  VAL   3          HG1       VAL   3  -1.637 -11.566  -2.430
   16   2HG1  VAL   3          HG1       VAL   3  -2.344 -10.508  -3.658
   17   3HG1  VAL   3          HG1       VAL   3  -2.053  -9.894  -2.014
   18   1HG2  VAL   3          HG2       VAL   3  -2.906 -12.415  -0.573
   19   2HG2  VAL   3          HG2       VAL   3  -3.417 -10.798  -0.058
   20   3HG2  VAL   3          HG2       VAL   3  -4.624 -12.067  -0.358
   21    H    VAL   4           H        VAL   4  -4.118  -7.808  -3.351
   22    HA   VAL   4           HA       VAL   4  -5.032  -8.501  -6.143
   23    HB   VAL   4           HB       VAL   4  -5.240  -5.807  -4.737
   24   1HG1  VAL   4          HG1       VAL   4  -4.911  -5.534  -7.156
   25   2HG1  VAL   4          HG1       VAL   4  -6.183  -6.733  -7.483
   26   3HG1  VAL   4          HG1       VAL   4  -6.583  -5.178  -6.728
   27   1HG2  VAL   4          HG2       VAL   4  -6.890  -7.341  -3.794
   28   2HG2  VAL   4          HG2       VAL   4  -7.684  -6.186  -4.871
   29   3HG2  VAL   4          HG2       VAL   4  -7.386  -7.847  -5.425
   30    H    THR   5           H        THR   5  -3.735  -7.556  -7.881
   31    HA   THR   5           HA       THR   5  -0.934  -6.877  -7.062
   32    HB   THR   5           HB       THR   5  -2.032  -9.364  -8.374
   33    HG1  THR   5           HG1      THR   5   0.174  -9.061  -6.619
   34   1HG2  THR   5          HG2       THR   5   0.805  -8.377  -8.696
   35   2HG2  THR   5          HG2       THR   5   0.243 -10.025  -9.034
   36   3HG2  THR   5          HG2       THR   5  -0.389  -8.684  -9.995
   37    H    TYR   6           H        TYR   6  -0.077  -5.364  -8.185
   38    HA   TYR   6           HA       TYR   6  -1.391  -4.364 -10.685
   39   1HB   TYR   6          HB2       TYR   6   0.217  -3.128  -8.451
   40   2HB   TYR   6          HB3       TYR   6   0.140  -2.306  -9.986
   41    HD1  TYR   6           HD1      TYR   6  -2.783  -4.182  -8.528
   42    HD2  TYR   6           HD2      TYR   6  -0.977  -0.363  -9.369
   43    HE1  TYR   6           HE1      TYR   6  -4.756  -3.017  -7.541
   44    HE2  TYR   6           HE2      TYR   6  -2.977   0.775  -8.460
   45    HH   TYR   6           HH       TYR   6  -5.780  -0.974  -7.144
   46    H    GLU   7           H        GLU   7  -0.354  -5.817 -12.207
   47    HA   GLU   7           HA       GLU   7   2.530  -5.938 -12.316
   48   1HB   GLU   7          HB2       GLU   7   0.599  -6.950 -14.405
   49   2HB   GLU   7          HB3       GLU   7   2.208  -7.542 -13.981
   50   1HG   GLU   7          HG2       GLU   7   1.036  -9.089 -12.729
   51   2HG   GLU   7          HG3       GLU   7   0.886  -7.775 -11.537
   52    H    ASN   8           H        ASN   8   3.014  -3.734 -12.456
   53    HA   ASN   8           HA       ASN   8   2.147  -2.121 -14.718
   54   1HB   ASN   8          HB2       ASN   8   3.631  -0.393 -13.672
   55   2HB   ASN   8          HB3       ASN   8   2.354  -1.033 -12.637
   56   1HD2  ASN   8          HD2       ASN   8   2.923  -2.535 -10.842
   57   2HD2  ASN   8          HD2       ASN   8   4.618  -2.680 -10.393
   58    H    ALA   9           H        ALA   9   5.514  -2.630 -13.715
   59    HA   ALA   9           HA       ALA   9   6.538  -3.526 -16.268
   60   1HB   ALA   9          HB1       ALA   9   5.937  -1.189 -16.876
   61   2HB   ALA   9          HB2       ALA   9   6.834  -0.602 -15.466
   62   3HB   ALA   9          HB3       ALA   9   7.697  -1.388 -16.807
   63    H    ALA  10           H        ALA  10   7.189  -1.680 -13.241
   64    HA   ALA  10           HA       ALA  10   9.999  -2.590 -13.196
   65   1HB   ALA  10          HB1       ALA  10   9.379  -0.237 -12.755
   66   2HB   ALA  10          HB2       ALA  10   8.442  -0.750 -11.338
   67   3HB   ALA  10          HB3       ALA  10  10.203  -0.968 -11.368
   68    H    GLY  11           H        GLY  11   7.508  -4.394 -12.523
   69   1HA   GLY  11          HA2       GLY  11   7.837  -6.429 -11.008
   70   2HA   GLY  11          HA3       GLY  11   8.301  -5.282  -9.764
   71    H    ASN  12           H        ASN  12   5.858  -7.186 -10.156
   72    HA   ASN  12           HA       ASN  12   3.698  -5.191  -9.802
   73   1HB   ASN  12          HB2       ASN  12   2.228  -6.931  -9.407
   74   2HB   ASN  12          HB3       ASN  12   3.165  -7.344 -10.841
   75   1HD2  ASN  12          HD2       ASN  12   4.337  -9.240 -10.937
   76   2HD2  ASN  12          HD2       ASN  12   4.432 -10.333  -9.564
   77    H    VAL  13           H        VAL  13   2.771  -4.674  -7.822
   78    HA   VAL  13           HA       VAL  13   4.729  -4.733  -5.629
   79    HB   VAL  13           HB       VAL  13   4.099  -2.590  -6.162
   80   1HG1  VAL  13          HG1       VAL  13   2.157  -2.779  -7.460
   81   2HG1  VAL  13          HG1       VAL  13   1.235  -3.579  -6.151
   82   3HG1  VAL  13          HG1       VAL  13   1.659  -1.864  -6.038
   83   1HG2  VAL  13          HG2       VAL  13   3.200  -1.714  -4.125
   84   2HG2  VAL  13          HG2       VAL  13   2.337  -3.217  -3.759
   85   3HG2  VAL  13          HG2       VAL  13   4.109  -3.170  -3.683
   86    H    THR  14           H        THR  14   1.494  -5.966  -6.169
   87    HA   THR  14           HA       THR  14   0.092  -7.175  -4.950
   88    HB   THR  14           HB       THR  14   2.654  -8.141  -3.813
   89    HG1  THR  14           HG1      THR  14   0.433  -9.544  -4.807
   90   1HG2  THR  14          HG2       THR  14   1.349  -9.855  -2.523
   91   2HG2  THR  14          HG2       THR  14   1.341  -8.254  -1.790
   92   3HG2  THR  14          HG2       THR  14  -0.091  -8.826  -2.674
   93    H    PHE  15           H        PHE  15  -1.325  -5.949  -4.248
   94    HA   PHE  15           HA       PHE  15  -1.296  -4.431  -1.719
   95   1HB   PHE  15          HB2       PHE  15  -3.420  -5.062  -3.793
   96   2HB   PHE  15          HB3       PHE  15  -3.721  -4.117  -2.343
   97    HD1  PHE  15           HD1      PHE  15  -3.335  -1.783  -2.355
   98    HD2  PHE  15           HD2      PHE  15  -1.662  -4.239  -5.481
   99    HE1  PHE  15           HE1      PHE  15  -2.552   0.237  -3.535
  100    HE2  PHE  15           HE2      PHE  15  -0.711  -2.216  -6.543
  101    HZ   PHE  15           HZ       PHE  15  -1.220  -0.002  -5.663
  102    H    ASP  16           H        ASP  16  -1.048  -5.903  -0.047
  103    HA   ASP  16           HA       ASP  16  -2.550  -8.402   0.091
  104   1HB   ASP  16          HB2       ASP  16  -0.639  -6.839   1.902
  105   2HB   ASP  16          HB3       ASP  16  -1.357  -8.379   2.368
  106    H    HIS  17           HN       HIS  17  -4.599  -7.225  -0.275
  107    HA   HIS  17           HA       HIS  17  -5.648  -5.261   1.350
  108   1HB   HIS  17          HB2       HIS  17  -6.535  -6.717  -0.808
  109   2HB   HIS  17          HB3       HIS  17  -7.599  -7.346   0.445
  110    HD1  HIS  17           HND      HIS  17  -8.096  -5.128  -2.102
  111    HD2  HIS  17           HD       HIS  17  -7.967  -4.549   2.046
  112    HE1  HIS  17           HE       HIS  17  -9.094  -2.911  -1.702
  113    H    LYS  18           H        LYS  18  -5.970  -8.742   1.754
  114    HA   LYS  18           HA       LYS  18  -7.118  -8.531   4.462
  115   1HB   LYS  18          HB2       LYS  18  -7.013 -10.512   2.407
  116   2HB   LYS  18          HB3       LYS  18  -6.210 -11.214   3.792
  117   1HG   LYS  18          HG2       LYS  18  -8.117 -11.261   5.103
  118   2HG   LYS  18          HG3       LYS  18  -8.848  -9.840   4.323
  119   1HD   LYS  18          HD2       LYS  18  -9.229 -10.993   2.286
  120   2HD   LYS  18          HD3       LYS  18  -8.449 -12.480   2.867
  121   1HE   LYS  18          HE2       LYS  18 -10.283 -12.833   4.448
  122   2HE   LYS  18          HE3       LYS  18 -10.988 -11.253   4.046
  123   1HZ   LYS  18          HZ1       LYS  18 -10.570 -13.387   2.037
  124   2HZ   LYS  18          HZ2       LYS  18 -12.047 -13.104   2.764
  125   3HZ   LYS  18          HZ3       LYS  18 -11.274 -12.017   1.760
  126    H    ALA  19           H        ALA  19  -4.091 -10.092   3.177
  127    HA   ALA  19           HA       ALA  19  -3.137 -10.704   5.715
  128   1HB   ALA  19          HB1       ALA  19  -1.551 -10.340   3.158
  129   2HB   ALA  19          HB2       ALA  19  -0.957 -11.093   4.648
  130   3HB   ALA  19          HB3       ALA  19  -2.318 -11.809   3.766
  131    H    HIS  20           HN       HIS  20  -2.709  -7.553   4.062
  132    HA   HIS  20           HA       HIS  20  -0.936  -6.648   6.150
  133   1HB   HIS  20          HB2       HIS  20  -1.338  -5.711   3.697
  134   2HB   HIS  20          HB3       HIS  20  -2.517  -4.680   4.498
  135    HD1  HIS  20           HND      HIS  20   0.154  -5.047   6.935
  136    HD2  HIS  20           HD       HIS  20  -0.185  -3.155   3.191
  137    HE1  HIS  20           HE       HIS  20   2.090  -3.502   6.763
  138    H    ALA  21           H        ALA  21  -4.439  -6.420   5.517
  139    HA   ALA  21           HA       ALA  21  -5.260  -4.818   7.728
  140   1HB   ALA  21          HB1       ALA  21  -7.438  -5.755   7.386
  141   2HB   ALA  21          HB2       ALA  21  -6.706  -5.353   5.816
  142   3HB   ALA  21          HB3       ALA  21  -6.799  -7.046   6.372
  143    H    GLU  22           H        GLU  22  -4.627  -8.347   7.516
  144    HA   GLU  22           HA       GLU  22  -5.637  -9.170   9.966
  145   1HB   GLU  22          HB2       GLU  22  -2.992  -9.987   8.696
  146   2HB   GLU  22          HB3       GLU  22  -3.853 -10.850   9.974
  147   1HG   GLU  22          HG2       GLU  22  -4.881 -10.463   7.148
  148   2HG   GLU  22          HG3       GLU  22  -4.250 -11.946   7.849
  149    H    LYS  23           H        LYS  23  -2.759  -7.115   9.470
  150    HA   LYS  23           HA       LYS  23  -2.445  -6.807  12.418
  151   1HB   LYS  23          HB2       LYS  23  -0.848  -5.782  10.027
  152   2HB   LYS  23          HB3       LYS  23  -0.558  -5.397  11.721
  153   1HG   LYS  23          HG2       LYS  23  -0.312  -7.902  12.153
  154   2HG   LYS  23          HG3       LYS  23  -0.355  -8.126  10.391
  155   1HD   LYS  23          HD2       LYS  23   1.582  -6.508  10.191
  156   2HD   LYS  23          HD3       LYS  23   1.628  -6.394  11.954
  157   1HE   LYS  23          HE2       LYS  23   1.992  -8.923  12.031
  158   2HE   LYS  23          HE3       LYS  23   2.102  -8.890  10.260
  159   1HZ   LYS  23          HZ1       LYS  23   3.889  -7.485  12.148
  160   2HZ   LYS  23          HZ2       LYS  23   4.316  -8.710  11.119
  161   3HZ   LYS  23          HZ3       LYS  23   3.897  -7.205  10.578
  162    H    LEU  24           H        LEU  24  -2.981  -4.905   9.435
  163    HA   LEU  24           HA       LEU  24  -3.158  -2.431  10.844
  164   1HB   LEU  24          HB2       LEU  24  -3.767  -3.205   7.963
  165   2HB   LEU  24          HB3       LEU  24  -3.695  -1.569   8.565
  166    HG   LEU  24           HG       LEU  24  -1.359  -3.472   8.401
  167   1HD1  LEU  24          HD1       LEU  24  -2.144  -2.461   6.276
  168   2HD1  LEU  24          HD1       LEU  24  -2.082  -0.845   7.005
  169   3HD1  LEU  24          HD1       LEU  24  -0.589  -1.759   6.763
  170   1HD2  LEU  24          HD2       LEU  24  -0.999  -2.104  10.391
  171   2HD2  LEU  24          HD2       LEU  24  -0.008  -1.470   9.078
  172   3HD2  LEU  24          HD2       LEU  24  -1.511  -0.637   9.522
  173    H    GLY  25           H        GLY  25  -5.744  -4.645  10.276
  174   1HA   GLY  25          HA2       GLY  25  -7.993  -4.502  10.673
  175   2HA   GLY  25          HA3       GLY  25  -7.534  -3.262  11.842
  176    H    CYS  26           HN       CYS  26  -7.442  -3.166   8.324
  177    HA   CYS  26           HA       CYS  26  -8.400  -1.958   6.687
  178   1HB   CYS  26          HB2       CYS  26 -10.752  -1.603   8.498
  179   2HB   CYS  26          HB3       CYS  26 -10.715  -1.499   6.728
  180    H    ASP  27           H        ASP  27  -9.356  -0.152   9.654
  181    HA   ASP  27           HA       ASP  27  -9.492   2.317   8.246
  182   1HB   ASP  27          HB2       ASP  27  -9.514   1.623  11.204
  183   2HB   ASP  27          HB3       ASP  27  -9.771   3.261  10.569
  184    H    ALA  28           H        ALA  28  -6.733   0.715   9.416
  185    HA   ALA  28           HA       ALA  28  -4.836   2.848   9.560
  186   1HB   ALA  28          HB1       ALA  28  -3.334   1.013   8.665
  187   2HB   ALA  28          HB2       ALA  28  -4.350   0.512  10.022
  188   3HB   ALA  28          HB3       ALA  28  -4.836   0.099   8.347
  189    H    CYS  29           HN       CYS  29  -6.664   1.538   6.802
  190    HA   CYS  29           HA       CYS  29  -5.198   3.311   4.859
  191   1HB   CYS  29          HB2       CYS  29  -6.571   0.636   4.518
  192   2HB   CYS  29          HB3       CYS  29  -5.940   1.652   3.214
  193    H    HIS  30           HN       HIS  30  -7.982   3.305   6.618
  194    HA   HIS  30           HA       HIS  30  -9.773   4.410   4.564
  195   1HB   HIS  30          HB2       HIS  30 -10.115   1.713   5.968
  196   2HB   HIS  30          HB3       HIS  30 -11.454   2.551   5.222
  197    HD1  HIS  30           HND      HIS  30  -9.851   3.300   2.503
  198    HD2  HIS  30           HD       HIS  30  -9.892  -0.373   4.418
  199    HE1  HIS  30           HE       HIS  30  -9.654   1.533   0.645
  200    H    GLU  31           H        GLU  31 -11.949   4.956   5.592
  201    HA   GLU  31           HA       GLU  31 -11.472   5.728   8.423
  202   1HB   GLU  31          HB2       GLU  31 -12.375   7.580   6.187
  203   2HB   GLU  31          HB3       GLU  31 -12.421   7.964   7.915
  204   1HG   GLU  31          HG2       GLU  31  -9.945   7.588   8.051
  205   2HG   GLU  31          HG3       GLU  31  -9.907   7.379   6.292
  206    H    GLY  32           H        GLY  32 -12.871   3.785   8.750
  207   1HA   GLY  32          HA2       GLY  32 -14.863   3.073   9.627
  208   2HA   GLY  32          HA3       GLY  32 -15.615   4.635   9.272
  209    H    THR  33           H        THR  33 -15.683   4.985   6.729
  210    HA   THR  33           HA       THR  33 -17.061   2.672   5.462
  211    HB   THR  33           HB       THR  33 -16.901   5.582   4.653
  212    HG1  THR  33           HG1      THR  33 -19.219   5.220   5.125
  213   1HG2  THR  33          HG2       THR  33 -17.144   4.131   2.639
  214   2HG2  THR  33          HG2       THR  33 -18.448   3.233   3.446
  215   3HG2  THR  33          HG2       THR  33 -18.668   4.941   3.013
  216    HA   PRO  34           HA       PRO  34 -12.972   2.389   3.316
  217   1HB   PRO  34          HB2       PRO  34 -13.085  -0.163   2.511
  218   2HB   PRO  34          HB3       PRO  34 -12.819   0.218   4.238
  219   1HG   PRO  34          HG2       PRO  34 -15.490  -0.415   2.908
  220   2HG   PRO  34          HG3       PRO  34 -14.786  -1.214   4.349
  221   1HD   PRO  34          HD2       PRO  34 -16.554   0.791   4.559
  222   2HD   PRO  34          HD3       PRO  34 -15.159   0.706   5.679
  223    H    ALA  35           H        ALA  35 -12.463   2.219   1.019
  224    HA   ALA  35           HA       ALA  35 -14.546   1.754  -0.935
  225   1HB   ALA  35          HB1       ALA  35 -15.277   3.972  -0.110
  226   2HB   ALA  35          HB2       ALA  35 -13.658   4.628  -0.427
  227   3HB   ALA  35          HB3       ALA  35 -14.687   4.084  -1.771
  228    H    LYS  36           H        LYS  36 -13.788   2.515  -3.155
  229    HA   LYS  36           HA       LYS  36 -11.143   1.420  -3.570
  230   1HB   LYS  36          HB2       LYS  36 -11.630   1.517  -5.888
  231   2HB   LYS  36          HB3       LYS  36 -12.916   0.741  -4.966
  232   1HG   LYS  36          HG2       LYS  36 -13.653   3.509  -5.126
  233   2HG   LYS  36          HG3       LYS  36 -13.070   3.086  -6.725
  234   1HD   LYS  36          HD2       LYS  36 -15.178   1.518  -5.151
  235   2HD   LYS  36          HD3       LYS  36 -15.551   2.781  -6.337
  236   1HE   LYS  36          HE2       LYS  36 -14.445   1.502  -8.129
  237   2HE   LYS  36          HE3       LYS  36 -13.974   0.237  -6.986
  238   1HZ   LYS  36          HZ1       LYS  36 -16.756   0.971  -7.648
  239   2HZ   LYS  36          HZ2       LYS  36 -15.959  -0.357  -8.199
  240   3HZ   LYS  36          HZ3       LYS  36 -16.302  -0.212  -6.598
  241    H    ILE  37           H        ILE  37  -9.589   2.723  -2.842
  242    HA   ILE  37           HA       ILE  37  -9.368   5.555  -3.504
  243    HB   ILE  37           HB       ILE  37  -7.311   3.592  -2.418
  244   1HG1  ILE  37          HG1       ILE  37  -9.081   5.574  -0.908
  245   2HG1  ILE  37          HG1       ILE  37  -9.374   3.834  -0.980
  246   1HG2  ILE  37          HG2       ILE  37  -7.349   6.648  -2.376
  247   2HG2  ILE  37          HG2       ILE  37  -6.096   5.611  -1.661
  248   3HG2  ILE  37          HG2       ILE  37  -6.296   5.657  -3.402
  249   1HD1  ILE  37          HD1       ILE  37  -6.976   5.155   0.320
  250   2HD1  ILE  37          HD1       ILE  37  -8.311   4.291   1.086
  251   3HD1  ILE  37          HD1       ILE  37  -7.163   3.401   0.069
  252    H    ALA  38           H        ALA  38  -8.315   6.467  -5.301
  253    HA   ALA  38           HA       ALA  38  -7.378   4.687  -7.431
  254   1HB   ALA  38          HB1       ALA  38  -7.225   7.709  -7.194
  255   2HB   ALA  38          HB2       ALA  38  -6.855   6.715  -8.625
  256   3HB   ALA  38          HB3       ALA  38  -8.518   6.773  -7.992
  257    H    ILE  39           H        ILE  39  -5.563   3.664  -7.291
  258    HA   ILE  39           HA       ILE  39  -3.197   4.909  -5.985
  259    HB   ILE  39           HB       ILE  39  -3.739   2.000  -6.615
  260   1HG1  ILE  39          HG1       ILE  39  -5.304   2.783  -4.904
  261   2HG1  ILE  39          HG1       ILE  39  -4.078   1.715  -4.314
  262   1HG2  ILE  39          HG2       ILE  39  -1.440   3.546  -5.400
  263   2HG2  ILE  39          HG2       ILE  39  -1.738   1.906  -4.861
  264   3HG2  ILE  39          HG2       ILE  39  -1.390   2.220  -6.580
  265   1HD1  ILE  39          HD1       ILE  39  -4.050   4.749  -3.946
  266   2HD1  ILE  39          HD1       ILE  39  -4.463   3.563  -2.715
  267   3HD1  ILE  39          HD1       ILE  39  -2.808   3.636  -3.332
  268    H    ASP  40           H        ASP  40  -2.103   5.970  -7.329
  269    HA   ASP  40           HA       ASP  40  -1.005   4.681  -9.788
  270   1HB   ASP  40          HB2       ASP  40  -1.713   7.635  -9.478
  271   2HB   ASP  40          HB3       ASP  40  -1.188   6.803 -10.948
  272    H    LYS  41           H        LYS  41   1.105   5.310 -10.238
  273    HA   LYS  41           HA       LYS  41   2.977   5.838  -8.335
  274   1HB   LYS  41          HB2       LYS  41   4.496   6.492 -10.259
  275   2HB   LYS  41          HB3       LYS  41   3.634   4.955 -10.405
  276   1HG   LYS  41          HG2       LYS  41   2.054   5.851 -11.946
  277   2HG   LYS  41          HG3       LYS  41   2.587   7.516 -11.676
  278   1HD   LYS  41          HD2       LYS  41   4.510   7.268 -12.941
  279   2HD   LYS  41          HD3       LYS  41   4.682   5.548 -12.597
  280   1HE   LYS  41          HE2       LYS  41   2.377   6.598 -14.281
  281   2HE   LYS  41          HE3       LYS  41   3.953   6.204 -14.992
  282   1HZ   LYS  41          HZ1       LYS  41   3.769   4.024 -14.475
  283   2HZ   LYS  41          HZ2       LYS  41   2.615   4.133 -13.348
  284   3HZ   LYS  41          HZ3       LYS  41   2.250   4.335 -14.948
  285    H    LYS  42           H        LYS  42   0.791   8.238  -8.867
  286    HA   LYS  42           HA       LYS  42   2.661  10.361  -7.911
  287   1HB   LYS  42          HB2       LYS  42   0.000  10.387  -9.164
  288   2HB   LYS  42          HB3       LYS  42  -0.036  11.170  -7.587
  289   1HG   LYS  42          HG2       LYS  42   1.949  12.575  -8.286
  290   2HG   LYS  42          HG3       LYS  42   1.816  11.837  -9.888
  291   1HD   LYS  42          HD2       LYS  42   0.667  13.908 -10.046
  292   2HD   LYS  42          HD3       LYS  42  -0.595  12.667  -9.970
  293   1HE   LYS  42          HE2       LYS  42  -0.861  13.169  -7.491
  294   2HE   LYS  42          HE3       LYS  42   0.388  14.409  -7.640
  295   1HZ   LYS  42          HZ1       LYS  42  -2.212  14.389  -9.041
  296   2HZ   LYS  42          HZ2       LYS  42  -1.825  15.328  -7.751
  297   3HZ   LYS  42          HZ3       LYS  42  -1.069  15.561  -9.192
  298    H    SER  43           H        SER  43  -0.496   9.062  -6.847
  299    HA   SER  43           HA       SER  43  -0.208   9.763  -4.171
  300   1HB   SER  43          HB2       SER  43  -2.334   9.130  -5.294
  301   2HB   SER  43          HB3       SER  43  -1.838   7.423  -5.248
  302    HG   SER  43           HG       SER  43  -3.133   8.027  -3.435
  303    H    ALA  44           H        ALA  44   0.477   6.608  -5.674
  304    HA   ALA  44           HA       ALA  44   1.249   5.121  -3.414
  305   1HB   ALA  44          HB1       ALA  44   2.337   3.656  -5.039
  306   2HB   ALA  44          HB2       ALA  44   0.770   4.209  -5.675
  307   3HB   ALA  44          HB3       ALA  44   2.278   4.926  -6.274
  308    H    HIS  45           HN       HIS  45   3.023   7.719  -4.956
  309    HA   HIS  45           HA       HIS  45   5.458   6.998  -3.369
  310   1HB   HIS  45          HB2       HIS  45   5.345   8.548  -5.954
  311   2HB   HIS  45          HB3       HIS  45   6.796   8.064  -5.074
  312    HD1  HIS  45           HND      HIS  45   5.175   7.178  -8.032
  313    HD2  HIS  45           HD       HIS  45   6.637   5.013  -4.751
  314    HE1  HIS  45           HE       HIS  45   5.635   4.830  -8.875
  315    H    LYS  46           H        LYS  46   2.888   8.810  -2.952
  316    HA   LYS  46           HA       LYS  46   4.431  11.190  -1.952
  317   1HB   LYS  46          HB2       LYS  46   1.627  10.972  -3.069
  318   2HB   LYS  46          HB3       LYS  46   2.203  12.387  -2.187
  319   1HG   LYS  46          HG2       LYS  46   3.891  11.451  -4.505
  320   2HG   LYS  46          HG3       LYS  46   2.287  12.055  -4.874
  321   1HD   LYS  46          HD2       LYS  46   3.825  13.872  -5.068
  322   2HD   LYS  46          HD3       LYS  46   2.734  14.176  -3.706
  323   1HE   LYS  46          HE2       LYS  46   4.488  13.488  -2.108
  324   2HE   LYS  46          HE3       LYS  46   5.557  13.017  -3.442
  325   1HZ   LYS  46          HZ1       LYS  46   5.585  15.335  -4.130
  326   2HZ   LYS  46          HZ2       LYS  46   4.601  15.757  -2.883
  327   3HZ   LYS  46          HZ3       LYS  46   6.113  15.190  -2.583
  328    H    ASP  47           H        ASP  47   1.105  10.184  -1.300
  329    HA   ASP  47           HA       ASP  47   1.740  10.202   1.599
  330   1HB   ASP  47          HB2       ASP  47   0.177  11.894   0.694
  331   2HB   ASP  47          HB3       ASP  47  -0.947  10.598   0.244
  332    H    ALA  48           H        ALA  48  -0.678   8.600  -0.501
  333    HA   ALA  48           HA       ALA  48  -1.440   6.553   1.085
  334   1HB   ALA  48          HB1       ALA  48  -1.036   6.408  -1.923
  335   2HB   ALA  48          HB2       ALA  48  -2.074   5.334  -0.960
  336   3HB   ALA  48          HB3       ALA  48  -2.456   7.063  -1.069
  337    H    CYS  49           HN       CYS  49  -0.472   4.984   2.105
  338    HA   CYS  49           HA       CYS  49   0.817   3.226   2.674
  339   1HB   CYS  49          HB2       CYS  49   1.671   3.037  -0.239
  340   2HB   CYS  49          HB3       CYS  49   1.831   1.828   1.026
  341    H    LYS  50           H        LYS  50   2.836   4.998   0.324
  342    HA   LYS  50           HA       LYS  50   5.299   4.642   1.574
  343   1HB   LYS  50          HB2       LYS  50   4.127   6.612  -0.303
  344   2HB   LYS  50          HB3       LYS  50   5.523   7.220   0.574
  345   1HG   LYS  50          HG2       LYS  50   5.788   4.438  -0.576
  346   2HG   LYS  50          HG3       LYS  50   5.675   5.757  -1.697
  347   1HD   LYS  50          HD2       LYS  50   7.989   5.392  -1.307
  348   2HD   LYS  50          HD3       LYS  50   7.538   6.963  -0.646
  349   1HE   LYS  50          HE2       LYS  50   7.484   6.033   1.644
  350   2HE   LYS  50          HE3       LYS  50   7.783   4.403   1.022
  351   1HZ   LYS  50          HZ1       LYS  50   9.793   5.441   1.867
  352   2HZ   LYS  50          HZ2       LYS  50   9.941   5.144   0.261
  353   3HZ   LYS  50          HZ3       LYS  50   9.660   6.672   0.787
  354    H    THR  51           H        THR  51   3.049   7.407   2.342
  355    HA   THR  51           HA       THR  51   4.942   8.330   4.351
  356    HB   THR  51           HB       THR  51   2.183   9.281   3.628
  357    HG1  THR  51           HG1      THR  51   3.748   9.941   2.163
  358   1HG2  THR  51          HG2       THR  51   2.717  11.257   5.011
  359   2HG2  THR  51          HG2       THR  51   2.443   9.813   5.989
  360   3HG2  THR  51          HG2       THR  51   4.105  10.394   5.708
  361    H    CYS  52           HN       CYS  52   2.507   5.845   4.528
  362    HA   CYS  52           HA       CYS  52   2.501   5.888   7.497
  363   1HB   CYS  52          HB2       CYS  52   0.630   4.856   6.373
  364   2HB   CYS  52          HB3       CYS  52   1.717   3.694   5.575
  365    H    HIS  53           HN       HIS  53   3.950   3.903   4.901
  366    HA   HIS  53           HA       HIS  53   5.781   2.381   6.340
  367   1HB   HIS  53          HB2       HIS  53   5.719   3.600   3.589
  368   2HB   HIS  53          HB3       HIS  53   7.161   2.758   4.108
  369    HD1  HIS  53           HND      HIS  53   6.411   0.977   2.077
  370    HD2  HIS  53           HD       HIS  53   3.854   1.288   5.378
  371    HE1  HIS  53           HE       HIS  53   4.796  -1.025   1.969
  372    H    LYS  54           H        LYS  54   6.363   5.742   5.231
  373    HA   LYS  54           HA       LYS  54   8.961   6.316   6.174
  374   1HB   LYS  54          HB2       LYS  54   6.518   8.016   6.262
  375   2HB   LYS  54          HB3       LYS  54   8.193   8.496   6.619
  376   1HG   LYS  54          HG2       LYS  54   8.853   7.521   4.354
  377   2HG   LYS  54          HG3       LYS  54   7.130   7.519   3.980
  378   1HD   LYS  54          HD2       LYS  54   7.208   9.931   5.050
  379   2HD   LYS  54          HD3       LYS  54   8.954   9.760   4.779
  380   1HE   LYS  54          HE2       LYS  54   8.583   9.679   2.340
  381   2HE   LYS  54          HE3       LYS  54   6.841   9.411   2.563
  382   1HZ   LYS  54          HZ1       LYS  54   8.213  11.911   3.282
  383   2HZ   LYS  54          HZ2       LYS  54   7.296  11.677   1.933
  384   3HZ   LYS  54          HZ3       LYS  54   6.600  11.596   3.414
  385    H    SER  55           H        SER  55   5.951   6.004   8.093
  386    HA   SER  55           HA       SER  55   7.315   6.786  10.609
  387   1HB   SER  55          HB2       SER  55   5.058   7.709   9.826
  388   2HB   SER  55          HB3       SER  55   4.391   6.099  10.131
  389    HG   SER  55           HG       SER  55   5.801   7.652  12.072
  390    H    ASN  56           H        ASN  56   7.616   4.057   8.971
  391    HA   ASN  56           HA       ASN  56   7.344   2.308  11.357
  392   1HB   ASN  56          HB2       ASN  56   6.837   1.449   8.482
  393   2HB   ASN  56          HB3       ASN  56   6.560   0.516   9.955
  394   1HD2  ASN  56          HD2       ASN  56   5.143   2.914  11.295
  395   2HD2  ASN  56          HD2       ASN  56   3.574   2.835  10.499
  396    H    ASN  57           H        ASN  57   8.521   0.219  10.578
  397    HA   ASN  57           HA       ASN  57  11.261   0.740   9.633
  398   1HB   ASN  57          HB2       ASN  57  11.304  -1.827   9.547
  399   2HB   ASN  57          HB3       ASN  57  11.149  -1.052  11.126
  400   1HD2  ASN  57          HD2       ASN  57   9.258  -1.379  12.383
  401   2HD2  ASN  57          HD2       ASN  57   7.967  -2.434  11.819
  402    H    GLY  58           H        GLY  58   8.637  -1.328   8.269
  403   1HA   GLY  58          HA2       GLY  58   8.066  -1.816   6.112
  404   2HA   GLY  58          HA3       GLY  58   8.712  -0.242   5.614
  405    HA   PRO  59           HA       PRO  59  11.747  -3.463   4.121
  406   1HB   PRO  59          HB2       PRO  59  11.244  -3.631   1.531
  407   2HB   PRO  59          HB3       PRO  59  10.140  -4.408   2.693
  408   1HG   PRO  59          HG2       PRO  59   9.757  -1.674   1.411
  409   2HG   PRO  59          HG3       PRO  59   8.589  -3.029   1.457
  410   1HD   PRO  59          HD2       PRO  59   8.561  -1.000   3.311
  411   2HD   PRO  59          HD3       PRO  59   8.127  -2.677   3.739
  412    H    THR  60           H        THR  60  10.915  -0.189   3.491
  413    HA   THR  60           HA       THR  60  12.021   1.670   3.074
  414    HB   THR  60           HB       THR  60  14.314   1.940   3.532
  415    HG1  THR  60           HG1      THR  60  14.559  -0.864   3.266
  416   1HG2  THR  60          HG2       THR  60  14.546   0.884   5.708
  417   2HG2  THR  60          HG2       THR  60  12.865   1.400   5.484
  418   3HG2  THR  60          HG2       THR  60  13.301  -0.313   5.328
  419    H    LYS  61           H        LYS  61  13.603  -0.870   1.170
  420    HA   LYS  61           HA       LYS  61  14.503   0.868  -0.930
  421   1HB   LYS  61          HB2       LYS  61  15.419  -1.358  -0.057
  422   2HB   LYS  61          HB3       LYS  61  14.123  -2.143  -0.965
  423   1HG   LYS  61          HG2       LYS  61  15.121  -1.152  -3.086
  424   2HG   LYS  61          HG3       LYS  61  16.360  -0.391  -2.076
  425   1HD   LYS  61          HD2       LYS  61  17.382  -2.348  -2.925
  426   2HD   LYS  61          HD3       LYS  61  16.993  -2.706  -1.239
  427   1HE   LYS  61          HE2       LYS  61  14.902  -3.919  -2.039
  428   2HE   LYS  61          HE3       LYS  61  15.389  -3.574  -3.704
  429   1HZ   LYS  61          HZ1       LYS  61  17.393  -4.879  -3.292
  430   2HZ   LYS  61          HZ2       LYS  61  16.893  -5.207  -1.761
  431   3HZ   LYS  61          HZ3       LYS  61  16.039  -5.774  -3.043
  432    H    CYS  62           HN       CYS  62  13.750   1.066  -3.114
  433    HA   CYS  62           HA       CYS  62  11.030   1.045  -3.757
  434   1HB   CYS  62          HB2       CYS  62  13.256   0.424  -5.698
  435   2HB   CYS  62          HB3       CYS  62  11.694   1.138  -6.081
  436    H    GLY  63           H        GLY  63  13.398  -1.540  -4.521
  437   1HA   GLY  63          HA2       GLY  63  11.599  -3.408  -5.636
  438   2HA   GLY  63          HA3       GLY  63  13.138  -3.802  -4.890
  439    H    GLY  64           H        GLY  64  11.749  -2.351  -2.353
  440   1HA   GLY  64          HA2       GLY  64  10.879  -4.704  -0.943
  441   2HA   GLY  64          HA3       GLY  64  10.750  -2.993  -0.482
  442    H    CYS  65           HN       CYS  65   9.275  -2.336  -3.049
  443    HA   CYS  65           HA       CYS  65   6.576  -3.448  -2.266
  444   1HB   CYS  65          HB2       CYS  65   7.405  -0.928  -3.704
  445   2HB   CYS  65          HB3       CYS  65   5.766  -1.584  -3.753
  446    H    HIS  66           HN       HIS  66   7.840  -2.273  -5.330
  447    HA   HIS  66           HA       HIS  66   6.586  -4.314  -6.890
  448   1HB   HIS  66          HB2       HIS  66   8.848  -3.165  -8.280
  449   2HB   HIS  66          HB3       HIS  66   7.142  -2.999  -8.625
  450    HD1  HIS  66           HND      HIS  66   9.602  -1.526  -6.067
  451    HD2  HIS  66           HD       HIS  66   6.263  -0.502  -8.413
  452    HE1  HIS  66           HE       HIS  66   9.197   0.889  -5.700
  453    H    ILE  67           H        ILE  67   7.196  -6.455  -7.055
  454    HA   ILE  67           HA       ILE  67   9.354  -7.678  -5.903
  455    HB   ILE  67           HB       ILE  67   7.945  -8.469  -8.477
  456   1HG1  ILE  67          HG1       ILE  67   7.609  -9.325  -5.561
  457   2HG1  ILE  67          HG1       ILE  67   6.526  -8.278  -6.480
  458   1HG2  ILE  67          HG2       ILE  67  10.116  -9.670  -8.386
  459   2HG2  ILE  67          HG2       ILE  67   9.777 -10.162  -6.713
  460   3HG2  ILE  67          HG2       ILE  67   8.798 -10.769  -8.065
  461   1HD1  ILE  67          HD1       ILE  67   6.962 -11.242  -6.904
  462   2HD1  ILE  67          HD1       ILE  67   5.484 -10.387  -6.448
  463   3HD1  ILE  67          HD1       ILE  67   6.139 -10.194  -8.086
  464    H    LYS  68           H        LYS  68  11.518  -7.601  -6.043
  465    HA   LYS  68           HA       LYS  68  12.898  -7.846  -8.554
  466   1HB   LYS  68          HB2       LYS  68  13.475  -5.492  -6.691
  467   2HB   LYS  68          HB3       LYS  68  14.500  -6.042  -8.025
  468   1HG   LYS  68          HG2       LYS  68  12.544  -5.598  -9.591
  469   2HG   LYS  68          HG3       LYS  68  11.734  -4.797  -8.231
  470   1HD   LYS  68          HD2       LYS  68  13.716  -3.289  -7.966
  471   2HD   LYS  68          HD3       LYS  68  14.476  -4.080  -9.366
  472   1HE   LYS  68          HE2       LYS  68  12.462  -3.422 -10.756
  473   2HE   LYS  68          HE3       LYS  68  11.837  -2.529  -9.361
  474   1HZ   LYS  68          HZ1       LYS  68  13.826  -1.162  -9.438
  475   2HZ   LYS  68          HZ2       LYS  68  14.401  -2.002 -10.730
  476   3HZ   LYS  68          HZ3       LYS  68  13.035  -1.100 -10.881
  477    HHA  HEC 130           HCM      HEC  30 -10.629  -0.637  -2.790
  478    HHB  HEC 130           HDM      HEC  30 -13.286  -2.981   2.383
  479    HHC  HEC 130           HAM      HEC  30  -7.579  -3.442   4.891
  480    HHD  HEC 130           HBM      HEC  30  -5.491   0.354   0.502
  481   1HMA  HEC 130          HM8       HEC  30 -14.948  -2.223   1.082
  482   2HMA  HEC 130          HM8       HEC  30 -15.190  -1.641  -0.557
  483   3HMA  HEC 130          HM8       HEC  30 -14.814  -3.360  -0.287
  484   1HAA  HEC 130          HP7       HEC  30 -13.044  -0.877  -3.178
  485   2HAA  HEC 130          HP7       HEC  30 -14.139  -2.124  -2.590
  486   1HBA  HEC 130          HP7       HEC  30 -11.443  -2.493  -3.871
  487   2HBA  HEC 130          HP7       HEC  30 -13.005  -3.116  -4.380
  488   1HMB  HEC 130          HM1       HEC  30 -12.690  -4.436   5.796
  489   2HMB  HEC 130          HM1       HEC  30 -13.544  -3.251   4.820
  490   3HMB  HEC 130          HM1       HEC  30 -13.187  -4.866   4.154
  491    HAB  HEC 130           HT2      HEC  30  -8.834  -4.271   6.300
  492   1HBB  HEC 130          HT2       HEC  30 -11.151  -6.151   5.794
  493   2HBB  HEC 130          HT2       HEC  30  -9.496  -6.339   5.182
  494   3HBB  HEC 130          HT2       HEC  30  -9.816  -6.391   6.926
  495   1HMC  HEC 130          HM3       HEC  30  -4.820  -3.814   4.168
  496   2HMC  HEC 130          HM3       HEC  30  -4.032  -2.308   4.663
  497   3HMC  HEC 130          HM3       HEC  30  -5.467  -2.839   5.524
  498    HAC  HEC 130           HT4      HEC  30  -4.227   0.608   2.088
  499   1HBC  HEC 130          HT4       HEC  30  -3.048  -1.282   1.285
  500   2HBC  HEC 130          HT4       HEC  30  -2.080  -0.341   2.426
  501   3HBC  HEC 130          HT4       HEC  30  -2.759  -1.894   2.935
  502   1HMD  HEC 130          HM5       HEC  30  -4.902   0.229  -1.693
  503   2HMD  HEC 130          HM5       HEC  30  -5.682   1.068  -3.042
  504   3HMD  HEC 130          HM5       HEC  30  -5.452   1.907  -1.490
  505   1HAD  HEC 130          HP6       HEC  30  -7.602   1.163  -4.163
  506   2HAD  HEC 130          HP6       HEC  30  -9.180   0.498  -4.154
  507   1HBD  HEC 130          HP6       HEC  30  -8.011  -1.824  -3.843
  508   2HBD  HEC 130          HP6       HEC  30  -6.546  -0.968  -4.331
  509    HHA  HEC 153           HCM      HEC  53   5.959  -3.979   5.672
  510    HHB  HEC 153           HDM      HEC  53   2.822  -3.732   0.315
  511    HHC  HEC 153           HAM      HEC  53  -0.397   1.103   2.566
  512    HHD  HEC 153           HBM      HEC  53   2.083   0.241   8.163
  513   1HMA  HEC 153          HM8       HEC  53   5.289  -5.004   0.090
  514   2HMA  HEC 153          HM8       HEC  53   5.302  -6.406   1.176
  515   3HMA  HEC 153          HM8       HEC  53   3.776  -5.860   0.498
  516   1HAA  HEC 153          HP7       HEC  53   7.267  -4.874   4.047
  517   2HAA  HEC 153          HP7       HEC  53   7.000  -5.746   2.560
  518   1HBA  HEC 153          HP7       HEC  53   5.577  -7.365   3.681
  519   2HBA  HEC 153          HP7       HEC  53   5.613  -6.418   5.174
  520   1HMB  HEC 153          HM1       HEC  53  -0.047  -2.304  -1.404
  521   2HMB  HEC 153          HM1       HEC  53   1.516  -1.616  -1.898
  522   3HMB  HEC 153          HM1       HEC  53   1.410  -3.248  -1.225
  523    HAB  HEC 153           HT2      HEC  53  -1.381   0.013  -0.069
  524   1HBB  HEC 153          HT2       HEC  53   0.965   0.797  -1.827
  525   2HBB  HEC 153          HT2       HEC  53  -0.348  -0.355  -2.201
  526   3HBB  HEC 153          HT2       HEC  53  -0.705   1.337  -2.085
  527   1HMC  HEC 153          HM3       HEC  53  -0.755   3.505   4.941
  528   2HMC  HEC 153          HM3       HEC  53  -1.422   2.484   3.686
  529   3HMC  HEC 153          HM3       HEC  53  -2.027   2.321   5.302
  530    HAC  HEC 153           HT4      HEC  53   0.202   1.360   8.448
  531   1HBC  HEC 153          HT4       HEC  53  -1.290   3.111   8.781
  532   2HBC  HEC 153          HT4       HEC  53  -1.198   3.689   7.127
  533   3HBC  HEC 153          HT4       HEC  53  -1.945   2.119   7.475
  534   1HMD  HEC 153          HM5       HEC  53   3.420  -2.193  10.049
  535   2HMD  HEC 153          HM5       HEC  53   4.872  -1.179  10.052
  536   3HMD  HEC 153          HM5       HEC  53   3.289  -0.443   9.824
  537   1HAD  HEC 153          HP6       HEC  53   6.056  -2.967   9.292
  538   2HAD  HEC 153          HP6       HEC  53   6.850  -3.336   7.770
  539   1HBD  HEC 153          HP6       HEC  53   6.222  -5.370   8.879
  540   2HBD  HEC 153          HP6       HEC  53   5.268  -5.228   7.410
  541    HHA  HEC 166           HCM      HEC  66   4.161   2.166 -10.518
  542    HHB  HEC 166           HDM      HEC  66  10.201   3.465  -9.692
  543    HHC  HEC 166           HAM      HEC  66   9.437   3.302  -3.499
  544    HHD  HEC 166           HBM      HEC  66   3.762   0.985  -4.384
  545   1HMA  HEC 166          HM8       HEC  66   9.415   4.270 -11.925
  546   2HMA  HEC 166          HM8       HEC  66   9.831   2.537 -11.999
  547   3HMA  HEC 166          HM8       HEC  66   8.572   3.194 -13.044
  548   1HAA  HEC 166          HP7       HEC  66   6.380   3.878 -12.953
  549   2HAA  HEC 166          HP7       HEC  66   4.892   3.248 -12.286
  550   1HBA  HEC 166          HP7       HEC  66   5.474   0.994 -12.995
  551   2HBA  HEC 166          HP7       HEC  66   7.032   1.548 -13.622
  552   1HMB  HEC 166          HM1       HEC  66  12.958   4.273  -7.333
  553   2HMB  HEC 166          HM1       HEC  66  12.366   3.179  -8.586
  554   3HMB  HEC 166          HM1       HEC  66  11.935   4.906  -8.626
  555    HAB  HEC 166           HT2      HEC  66  11.480   3.517  -3.786
  556   1HBB  HEC 166          HT2       HEC  66  11.549   5.925  -4.314
  557   2HBB  HEC 166          HT2       HEC  66  13.132   5.275  -3.837
  558   3HBB  HEC 166          HT2       HEC  66  12.791   5.618  -5.538
  559   1HMC  HEC 166          HM3       HEC  66   8.984   1.470  -1.830
  560   2HMC  HEC 166          HM3       HEC  66   8.329   3.052  -1.340
  561   3HMC  HEC 166          HM3       HEC  66   7.547   1.553  -0.827
  562    HAC  HEC 166           HT4      HEC  66   4.408   0.117  -2.594
  563   1HBC  HEC 166          HT4       HEC  66   4.091   0.675  -0.289
  564   2HBC  HEC 166          HT4       HEC  66   5.430   1.831  -0.309
  565   3HBC  HEC 166          HT4       HEC  66   3.981   2.144  -1.275
  566   1HMD  HEC 166          HM5       HEC  66   0.985   0.275  -6.661
  567   2HMD  HEC 166          HM5       HEC  66   1.900   0.266  -5.174
  568   3HMD  HEC 166          HM5       HEC  66   1.109   1.755  -5.717
  569   1HAD  HEC 166          HP6       HEC  66   0.974   2.344  -8.739
  570   2HAD  HEC 166          HP6       HEC  66   1.130   0.606  -8.745
  571   1HBD  HEC 166          HP6       HEC  66   0.715   0.974 -10.849
  572   2HBD  HEC 166          HP6       HEC  66   2.421   0.693 -10.817
  Start of MODEL   19
    1   1H    ALA   1          H1        ALA   1  -9.964  -6.508  -4.326
    2   2H    ALA   1          H2        ALA   1 -11.565  -6.566  -4.741
    3   3H    ALA   1          H3        ALA   1 -11.101  -6.168  -3.202
    4    HA   ALA   1           HA       ALA   1 -11.892  -8.413  -3.209
    5   1HB   ALA   1          HB1       ALA   1  -9.665  -8.863  -5.249
    6   2HB   ALA   1          HB2       ALA   1 -10.711 -10.113  -4.549
    7   3HB   ALA   1          HB3       ALA   1 -11.407  -8.867  -5.601
    8    H    ASP   2           H        ASP   2 -10.569 -10.325  -2.180
    9    HA   ASP   2           HA       ASP   2  -8.720  -9.371  -0.199
   10   1HB   ASP   2          HB2       ASP   2  -8.628 -11.856   0.262
   11   2HB   ASP   2          HB3       ASP   2 -10.227 -11.101   0.363
   12    H    VAL   3           H        VAL   3  -6.585  -9.309  -0.289
   13    HA   VAL   3           HA       VAL   3  -4.522  -9.033  -1.191
   14    HB   VAL   3           HB       VAL   3  -4.933 -11.983  -1.676
   15   1HG1  VAL   3          HG1       VAL   3  -2.383 -10.320  -1.320
   16   2HG1  VAL   3          HG1       VAL   3  -2.447 -12.093  -1.320
   17   3HG1  VAL   3          HG1       VAL   3  -2.843 -11.204  -2.788
   18   1HG2  VAL   3          HG2       VAL   3  -5.427 -11.344   0.640
   19   2HG2  VAL   3          HG2       VAL   3  -3.875 -12.181   0.576
   20   3HG2  VAL   3          HG2       VAL   3  -3.911 -10.414   0.735
   21    H    VAL   4           H        VAL   4  -4.766  -7.602  -2.819
   22    HA   VAL   4           HA       VAL   4  -5.286  -8.575  -5.599
   23    HB   VAL   4           HB       VAL   4  -5.111  -5.712  -4.578
   24   1HG1  VAL   4          HG1       VAL   4  -4.686  -5.838  -6.993
   25   2HG1  VAL   4          HG1       VAL   4  -6.110  -6.883  -7.210
   26   3HG1  VAL   4          HG1       VAL   4  -6.297  -5.192  -6.705
   27   1HG2  VAL   4          HG2       VAL   4  -7.574  -5.692  -4.805
   28   2HG2  VAL   4          HG2       VAL   4  -7.543  -7.454  -5.053
   29   3HG2  VAL   4          HG2       VAL   4  -7.001  -6.747  -3.512
   30    H    THR   5           H        THR   5  -3.744  -7.878  -7.306
   31    HA   THR   5           HA       THR   5  -1.028  -7.133  -6.400
   32    HB   THR   5           HB       THR   5  -1.869  -9.808  -7.381
   33    HG1  THR   5           HG1      THR   5   0.613  -9.218  -6.254
   34   1HG2  THR   5          HG2       THR   5  -0.740  -9.215  -9.386
   35   2HG2  THR   5          HG2       THR   5   0.655  -8.528  -8.497
   36   3HG2  THR   5          HG2       THR   5   0.314 -10.272  -8.447
   37    H    TYR   6           H        TYR   6   0.030  -5.891  -7.806
   38    HA   TYR   6           HA       TYR   6  -1.461  -4.930 -10.231
   39   1HB   TYR   6          HB2       TYR   6   0.040  -3.589  -7.999
   40   2HB   TYR   6          HB3       TYR   6   0.165  -2.878  -9.572
   41    HD1  TYR   6           HD1      TYR   6  -1.093  -0.969  -9.606
   42    HD2  TYR   6           HD2      TYR   6  -2.756  -4.483  -7.783
   43    HE1  TYR   6           HE1      TYR   6  -3.034   0.354  -8.854
   44    HE2  TYR   6           HE2      TYR   6  -4.745  -3.149  -7.066
   45    HH   TYR   6           HH       TYR   6  -5.847  -1.086  -7.201
   46    H    GLU   7           H        GLU   7  -0.514  -6.273 -11.776
   47    HA   GLU   7           HA       GLU   7   2.316  -6.769 -11.760
   48   1HB   GLU   7          HB2       GLU   7   0.296  -7.535 -13.885
   49   2HB   GLU   7          HB3       GLU   7   1.816  -8.332 -13.468
   50   1HG   GLU   7          HG2       GLU   7   0.468  -9.700 -12.176
   51   2HG   GLU   7          HG3       GLU   7   0.472  -8.349 -11.010
   52    H    ASN   8           H        ASN   8   2.944  -4.534 -11.863
   53    HA   ASN   8           HA       ASN   8   2.660  -3.124 -14.432
   54   1HB   ASN   8          HB2       ASN   8   3.557  -1.258 -13.218
   55   2HB   ASN   8          HB3       ASN   8   2.275  -1.983 -12.288
   56   1HD2  ASN   8          HD2       ASN   8   2.869  -3.242 -10.307
   57   2HD2  ASN   8          HD2       ASN   8   4.522  -3.100  -9.700
   58    H    ALA   9           H        ALA   9   4.700  -1.875 -15.158
   59    HA   ALA   9           HA       ALA   9   6.494  -3.951 -16.144
   60   1HB   ALA   9          HB1       ALA   9   6.664  -0.936 -16.438
   61   2HB   ALA   9          HB2       ALA   9   7.480  -2.158 -17.430
   62   3HB   ALA   9          HB3       ALA   9   5.707  -2.005 -17.494
   63    H    ALA  10           H        ALA  10   6.545  -1.836 -13.375
   64    HA   ALA  10           HA       ALA  10   9.520  -1.963 -13.157
   65   1HB   ALA  10          HB1       ALA  10   9.251  -0.226 -11.485
   66   2HB   ALA  10          HB2       ALA  10   8.392   0.220 -12.972
   67   3HB   ALA  10          HB3       ALA  10   7.483  -0.367 -11.565
   68    H    GLY  11           H        GLY  11   7.410  -4.248 -12.553
   69   1HA   GLY  11          HA2       GLY  11   8.044  -6.144 -11.038
   70   2HA   GLY  11          HA3       GLY  11   8.653  -4.986  -9.915
   71    H    ASN  12           H        ASN  12   6.266  -7.118 -10.045
   72    HA   ASN  12           HA       ASN  12   3.972  -5.452  -9.537
   73   1HB   ASN  12          HB2       ASN  12   3.711  -8.074  -8.292
   74   2HB   ASN  12          HB3       ASN  12   2.715  -7.245  -9.487
   75   1HD2  ASN  12          HD2       ASN  12   2.439  -8.844 -11.135
   76   2HD2  ASN  12          HD2       ASN  12   3.797  -9.742 -11.788
   77    H    VAL  13           H        VAL  13   2.809  -5.334  -7.496
   78    HA   VAL  13           HA       VAL  13   4.777  -4.626  -5.380
   79    HB   VAL  13           HB       VAL  13   3.454  -2.967  -6.816
   80   1HG1  VAL  13          HG1       VAL  13   1.232  -4.212  -6.319
   81   2HG1  VAL  13          HG1       VAL  13   1.304  -3.418  -4.731
   82   3HG1  VAL  13          HG1       VAL  13   1.245  -2.446  -6.219
   83   1HG2  VAL  13          HG2       VAL  13   4.738  -2.176  -5.005
   84   2HG2  VAL  13          HG2       VAL  13   3.123  -1.465  -4.823
   85   3HG2  VAL  13          HG2       VAL  13   3.605  -2.823  -3.795
   86    H    THR  14           H        THR  14   1.692  -6.299  -5.730
   87    HA   THR  14           HA       THR  14   0.329  -7.373  -4.394
   88    HB   THR  14           HB       THR  14   2.820  -7.726  -2.803
   89    HG1  THR  14           HG1      THR  14   0.948  -9.515  -3.950
   90   1HG2  THR  14          HG2       THR  14   0.023  -8.664  -1.988
   91   2HG2  THR  14          HG2       THR  14   1.548  -9.343  -1.377
   92   3HG2  THR  14          HG2       THR  14   1.141  -7.663  -1.030
   93    H    PHE  15           H        PHE  15  -1.289  -6.319  -3.926
   94    HA   PHE  15           HA       PHE  15  -1.491  -4.229  -1.786
   95   1HB   PHE  15          HB2       PHE  15  -3.086  -5.068  -4.185
   96   2HB   PHE  15          HB3       PHE  15  -3.970  -4.424  -2.808
   97    HD1  PHE  15           HD1      PHE  15  -4.630  -2.269  -3.065
   98    HD2  PHE  15           HD2      PHE  15  -0.966  -3.603  -4.869
   99    HE1  PHE  15           HE1      PHE  15  -4.623  -0.306  -4.537
  100    HE2  PHE  15           HE2      PHE  15  -0.854  -1.496  -6.182
  101    HZ   PHE  15           HZ       PHE  15  -2.737   0.074  -6.081
  102    H    ASP  16           H        ASP  16  -1.285  -5.611   0.042
  103    HA   ASP  16           HA       ASP  16  -2.529  -8.082   0.295
  104   1HB   ASP  16          HB2       ASP  16  -1.619  -6.109   2.407
  105   2HB   ASP  16          HB3       ASP  16  -1.558  -7.870   2.585
  106    H    HIS  17           HN       HIS  17  -4.823  -6.753  -0.343
  107    HA   HIS  17           HA       HIS  17  -6.202  -5.261   1.423
  108   1HB   HIS  17          HB2       HIS  17  -6.858  -6.719  -0.914
  109   2HB   HIS  17          HB3       HIS  17  -8.078  -7.206   0.257
  110    HD1  HIS  17           HND      HIS  17  -7.700  -4.737  -2.265
  111    HD2  HIS  17           HD       HIS  17  -8.766  -4.642   1.778
  112    HE1  HIS  17           HE       HIS  17  -8.701  -2.472  -1.867
  113    H    LYS  18           H        LYS  18  -6.045  -8.741   1.588
  114    HA   LYS  18           HA       LYS  18  -7.728  -8.904   4.016
  115   1HB   LYS  18          HB2       LYS  18  -7.634 -10.437   1.839
  116   2HB   LYS  18          HB3       LYS  18  -6.414 -11.308   2.752
  117   1HG   LYS  18          HG2       LYS  18  -9.257 -10.695   3.724
  118   2HG   LYS  18          HG3       LYS  18  -8.769 -12.148   2.864
  119   1HD   LYS  18          HD2       LYS  18  -6.919 -12.101   4.950
  120   2HD   LYS  18          HD3       LYS  18  -8.373 -11.436   5.715
  121   1HE   LYS  18          HE2       LYS  18  -9.676 -13.416   4.845
  122   2HE   LYS  18          HE3       LYS  18  -8.177 -14.068   4.152
  123   1HZ   LYS  18          HZ1       LYS  18  -7.264 -14.174   6.408
  124   2HZ   LYS  18          HZ2       LYS  18  -8.549 -13.528   7.045
  125   3HZ   LYS  18          HZ3       LYS  18  -8.677 -15.036   6.354
  126    H    ALA  19           H        ALA  19  -4.429 -10.019   2.991
  127    HA   ALA  19           HA       ALA  19  -3.575 -10.900   5.511
  128   1HB   ALA  19          HB1       ALA  19  -1.299 -10.751   4.518
  129   2HB   ALA  19          HB2       ALA  19  -2.480 -11.550   3.452
  130   3HB   ALA  19          HB3       ALA  19  -1.986  -9.876   3.139
  131    H    HIS  20           HN       HIS  20  -3.122  -7.578   4.116
  132    HA   HIS  20           HA       HIS  20  -1.715  -6.660   6.481
  133   1HB   HIS  20          HB2       HIS  20  -3.091  -5.254   4.179
  134   2HB   HIS  20          HB3       HIS  20  -2.775  -4.408   5.668
  135    HD1  HIS  20           HND      HIS  20  -0.156  -6.861   4.396
  136    HD2  HIS  20           HD       HIS  20  -0.995  -2.740   4.497
  137    HE1  HIS  20           HE       HIS  20   1.955  -5.700   3.724
  138    H    ALA  21           H        ALA  21  -5.163  -6.481   5.459
  139    HA   ALA  21           HA       ALA  21  -6.208  -5.146   7.683
  140   1HB   ALA  21          HB1       ALA  21  -7.560  -7.322   6.052
  141   2HB   ALA  21          HB2       ALA  21  -8.337  -6.124   7.097
  142   3HB   ALA  21          HB3       ALA  21  -7.459  -5.595   5.642
  143    H    GLU  22           H        GLU  22  -5.555  -8.651   7.394
  144    HA   GLU  22           HA       GLU  22  -6.753  -9.588   9.714
  145   1HB   GLU  22          HB2       GLU  22  -4.110 -10.399   8.458
  146   2HB   GLU  22          HB3       GLU  22  -5.023 -11.396   9.585
  147   1HG   GLU  22          HG2       GLU  22  -6.764 -10.485   7.397
  148   2HG   GLU  22          HG3       GLU  22  -5.319 -11.296   6.785
  149    H    LYS  23           H        LYS  23  -3.827  -7.607   9.510
  150    HA   LYS  23           HA       LYS  23  -3.548  -7.602  12.493
  151   1HB   LYS  23          HB2       LYS  23  -1.776  -6.768  10.166
  152   2HB   LYS  23          HB3       LYS  23  -1.491  -6.235  11.823
  153   1HG   LYS  23          HG2       LYS  23  -1.294  -8.530  12.601
  154   2HG   LYS  23          HG3       LYS  23  -1.695  -9.160  10.991
  155   1HD   LYS  23          HD2       LYS  23   0.279  -8.177   9.999
  156   2HD   LYS  23          HD3       LYS  23   0.710  -7.327  11.482
  157   1HE   LYS  23          HE2       LYS  23   0.569 -10.377  11.210
  158   2HE   LYS  23          HE3       LYS  23   2.049  -9.432  10.990
  159   1HZ   LYS  23          HZ1       LYS  23   1.904 -10.281  13.222
  160   2HZ   LYS  23          HZ2       LYS  23   1.834  -8.640  13.245
  161   3HZ   LYS  23          HZ3       LYS  23   0.467  -9.524  13.478
  162    H    LEU  24           H        LEU  24  -3.845  -5.476   9.658
  163    HA   LEU  24           HA       LEU  24  -3.836  -3.053  11.170
  164   1HB   LEU  24          HB2       LEU  24  -4.505  -3.646   8.255
  165   2HB   LEU  24          HB3       LEU  24  -4.257  -2.068   8.959
  166    HG   LEU  24           HG       LEU  24  -2.164  -4.178   8.491
  167   1HD1  LEU  24          HD1       LEU  24  -2.301  -1.232   7.727
  168   2HD1  LEU  24          HD1       LEU  24  -1.202  -2.469   7.086
  169   3HD1  LEU  24          HD1       LEU  24  -2.935  -2.503   6.691
  170   1HD2  LEU  24          HD2       LEU  24  -1.615  -3.297  10.697
  171   2HD2  LEU  24          HD2       LEU  24  -0.548  -2.547   9.504
  172   3HD2  LEU  24          HD2       LEU  24  -1.925  -1.630  10.151
  173    H    GLY  25           H        GLY  25  -6.556  -5.025  10.189
  174   1HA   GLY  25          HA2       GLY  25  -8.797  -4.779  10.508
  175   2HA   GLY  25          HA3       GLY  25  -8.375  -3.613  11.763
  176    H    CYS  26           HN       CYS  26  -7.950  -3.372   8.272
  177    HA   CYS  26           HA       CYS  26  -8.786  -2.116   6.594
  178   1HB   CYS  26          HB2       CYS  26 -11.195  -1.655   8.302
  179   2HB   CYS  26          HB3       CYS  26 -11.080  -1.493   6.542
  180    H    ASP  27           H        ASP  27  -9.697  -0.345   9.596
  181    HA   ASP  27           HA       ASP  27  -9.660   2.176   8.294
  182   1HB   ASP  27          HB2       ASP  27  -9.766   1.346  11.218
  183   2HB   ASP  27          HB3       ASP  27  -9.910   3.027  10.665
  184    H    ALA  28           H        ALA  28  -7.042   0.331   9.317
  185    HA   ALA  28           HA       ALA  28  -5.037   2.356   9.664
  186   1HB   ALA  28          HB1       ALA  28  -3.563   0.537   8.957
  187   2HB   ALA  28          HB2       ALA  28  -4.852  -0.112   9.988
  188   3HB   ALA  28          HB3       ALA  28  -4.975  -0.282   8.211
  189    H    CYS  29           HN       CYS  29  -6.873   1.282   6.819
  190    HA   CYS  29           HA       CYS  29  -5.238   3.014   4.976
  191   1HB   CYS  29          HB2       CYS  29  -6.788   0.463   4.488
  192   2HB   CYS  29          HB3       CYS  29  -6.046   1.487   3.251
  193    H    HIS  30           HN       HIS  30  -8.121   2.935   6.641
  194    HA   HIS  30           HA       HIS  30  -9.734   4.369   4.628
  195   1HB   HIS  30          HB2       HIS  30 -10.335   1.659   5.915
  196   2HB   HIS  30          HB3       HIS  30 -11.579   2.638   5.186
  197    HD1  HIS  30           HND      HIS  30 -10.321   3.372   2.450
  198    HD2  HIS  30           HD       HIS  30  -9.939  -0.333   4.314
  199    HE1  HIS  30           HE       HIS  30 -10.077   1.630   0.565
  200    H    GLU  31           H        GLU  31 -11.856   5.063   5.655
  201    HA   GLU  31           HA       GLU  31 -11.333   5.776   8.501
  202   1HB   GLU  31          HB2       GLU  31 -11.981   7.567   6.159
  203   2HB   GLU  31          HB3       GLU  31 -12.374   8.046   7.811
  204   1HG   GLU  31          HG2       GLU  31  -9.559   7.106   7.493
  205   2HG   GLU  31          HG3       GLU  31  -9.968   8.572   6.600
  206    H    GLY  32           H        GLY  32 -12.832   3.857   8.765
  207   1HA   GLY  32          HA2       GLY  32 -14.857   3.188   9.588
  208   2HA   GLY  32          HA3       GLY  32 -15.536   4.798   9.311
  209    H    THR  33           H        THR  33 -15.618   5.284   6.803
  210    HA   THR  33           HA       THR  33 -17.130   3.112   5.447
  211    HB   THR  33           HB       THR  33 -16.812   6.043   4.766
  212    HG1  THR  33           HG1      THR  33 -19.118   5.841   5.278
  213   1HG2  THR  33          HG2       THR  33 -17.171   4.710   2.692
  214   2HG2  THR  33          HG2       THR  33 -18.506   3.841   3.480
  215   3HG2  THR  33          HG2       THR  33 -18.645   5.576   3.133
  216    HA   PRO  34           HA       PRO  34 -13.135   2.696   3.166
  217   1HB   PRO  34          HB2       PRO  34 -13.464   0.227   2.174
  218   2HB   PRO  34          HB3       PRO  34 -13.105   0.463   3.910
  219   1HG   PRO  34          HG2       PRO  34 -15.860   0.112   2.650
  220   2HG   PRO  34          HG3       PRO  34 -15.165  -0.833   4.006
  221   1HD   PRO  34          HD2       PRO  34 -16.786   1.267   4.406
  222   2HD   PRO  34          HD3       PRO  34 -15.369   1.016   5.472
  223    H    ALA  35           H        ALA  35 -12.681   2.552   0.848
  224    HA   ALA  35           HA       ALA  35 -14.772   2.413  -1.128
  225   1HB   ALA  35          HB1       ALA  35 -14.659   4.786  -1.850
  226   2HB   ALA  35          HB2       ALA  35 -15.304   4.655  -0.210
  227   3HB   ALA  35          HB3       ALA  35 -13.620   5.159  -0.458
  228    H    LYS  36           H        LYS  36 -13.775   3.250  -3.323
  229    HA   LYS  36           HA       LYS  36 -11.105   2.098  -3.587
  230   1HB   LYS  36          HB2       LYS  36 -11.333   2.949  -5.993
  231   2HB   LYS  36          HB3       LYS  36 -12.121   1.485  -5.453
  232   1HG   LYS  36          HG2       LYS  36 -13.677   4.068  -5.289
  233   2HG   LYS  36          HG3       LYS  36 -13.388   3.351  -6.884
  234   1HD   LYS  36          HD2       LYS  36 -14.251   1.174  -6.154
  235   2HD   LYS  36          HD3       LYS  36 -14.582   1.807  -4.541
  236   1HE   LYS  36          HE2       LYS  36 -16.263   3.381  -5.539
  237   2HE   LYS  36          HE3       LYS  36 -15.931   2.667  -7.134
  238   1HZ   LYS  36          HZ1       LYS  36 -17.820   1.500  -6.120
  239   2HZ   LYS  36          HZ2       LYS  36 -16.495   0.473  -6.072
  240   3HZ   LYS  36          HZ3       LYS  36 -16.913   1.186  -4.753
  241    H    ILE  37           H        ILE  37  -9.352   3.121  -3.129
  242    HA   ILE  37           HA       ILE  37  -9.081   6.073  -3.398
  243    HB   ILE  37           HB       ILE  37  -7.225   3.941  -2.259
  244   1HG1  ILE  37          HG1       ILE  37  -8.958   5.964  -0.764
  245   2HG1  ILE  37          HG1       ILE  37  -9.352   4.251  -0.934
  246   1HG2  ILE  37          HG2       ILE  37  -5.931   5.846  -1.369
  247   2HG2  ILE  37          HG2       ILE  37  -6.044   5.970  -3.118
  248   3HG2  ILE  37          HG2       ILE  37  -7.080   6.987  -2.098
  249   1HD1  ILE  37          HD1       ILE  37  -8.386   4.543   1.209
  250   2HD1  ILE  37          HD1       ILE  37  -7.241   3.628   0.212
  251   3HD1  ILE  37          HD1       ILE  37  -6.958   5.354   0.557
  252    H    ALA  38           H        ALA  38  -8.000   6.869  -5.242
  253    HA   ALA  38           HA       ALA  38  -7.194   4.986  -7.309
  254   1HB   ALA  38          HB1       ALA  38  -6.796   7.989  -7.154
  255   2HB   ALA  38          HB2       ALA  38  -6.539   6.936  -8.566
  256   3HB   ALA  38          HB3       ALA  38  -8.176   7.138  -7.897
  257    H    ILE  39           H        ILE  39  -5.429   3.835  -7.195
  258    HA   ILE  39           HA       ILE  39  -2.956   4.921  -5.949
  259    HB   ILE  39           HB       ILE  39  -3.828   2.080  -6.516
  260   1HG1  ILE  39          HG1       ILE  39  -5.172   3.034  -4.728
  261   2HG1  ILE  39          HG1       ILE  39  -4.021   1.869  -4.159
  262   1HG2  ILE  39          HG2       ILE  39  -1.762   1.726  -4.894
  263   2HG2  ILE  39          HG2       ILE  39  -1.480   2.041  -6.621
  264   3HG2  ILE  39          HG2       ILE  39  -1.320   3.343  -5.417
  265   1HD1  ILE  39          HD1       ILE  39  -3.758   4.890  -3.860
  266   2HD1  ILE  39          HD1       ILE  39  -4.128   3.725  -2.588
  267   3HD1  ILE  39          HD1       ILE  39  -2.526   3.713  -3.341
  268    H    ASP  40           H        ASP  40  -1.712   5.814  -7.317
  269    HA   ASP  40           HA       ASP  40  -0.851   4.415  -9.807
  270   1HB   ASP  40          HB2       ASP  40  -1.420   7.415  -9.502
  271   2HB   ASP  40          HB3       ASP  40  -1.011   6.553 -10.993
  272    H    LYS  41           H        LYS  41   1.254   5.096 -10.482
  273    HA   LYS  41           HA       LYS  41   3.289   5.861  -8.891
  274   1HB   LYS  41          HB2       LYS  41   3.156   4.967 -11.234
  275   2HB   LYS  41          HB3       LYS  41   3.200   6.625 -11.804
  276   1HG   LYS  41          HG2       LYS  41   5.362   5.260 -10.068
  277   2HG   LYS  41          HG3       LYS  41   5.305   5.248 -11.827
  278   1HD   LYS  41          HD2       LYS  41   6.763   6.937 -11.606
  279   2HD   LYS  41          HD3       LYS  41   5.248   7.823 -11.700
  280   1HE   LYS  41          HE2       LYS  41   5.549   7.348  -8.937
  281   2HE   LYS  41          HE3       LYS  41   7.224   7.517  -9.463
  282   1HZ   LYS  41          HZ1       LYS  41   5.009   9.382  -9.958
  283   2HZ   LYS  41          HZ2       LYS  41   6.230   9.652  -8.870
  284   3HZ   LYS  41          HZ3       LYS  41   6.552   9.640 -10.493
  285    H    LYS  42           H        LYS  42   1.700   7.522  -7.805
  286    HA   LYS  42           HA       LYS  42   2.957  10.138  -7.897
  287   1HB   LYS  42          HB2       LYS  42   1.079  10.171  -9.633
  288   2HB   LYS  42          HB3       LYS  42  -0.060   9.755  -8.385
  289   1HG   LYS  42          HG2       LYS  42  -0.350  12.008  -8.500
  290   2HG   LYS  42          HG3       LYS  42   0.850  11.968  -7.199
  291   1HD   LYS  42          HD2       LYS  42   2.662  12.357  -8.884
  292   2HD   LYS  42          HD3       LYS  42   1.477  12.364 -10.188
  293   1HE   LYS  42          HE2       LYS  42   1.593  14.380  -7.890
  294   2HE   LYS  42          HE3       LYS  42   2.218  14.642  -9.523
  295   1HZ   LYS  42          HZ1       LYS  42  -0.615  14.178  -8.839
  296   2HZ   LYS  42          HZ2       LYS  42   0.051  15.600  -9.317
  297   3HZ   LYS  42          HZ3       LYS  42  -0.032  14.340 -10.367
  298    H    SER  43           H        SER  43  -0.262   9.283  -6.545
  299    HA   SER  43           HA       SER  43   0.190   9.879  -3.913
  300   1HB   SER  43          HB2       SER  43  -1.588   7.685  -5.072
  301   2HB   SER  43          HB3       SER  43  -1.825   8.517  -3.527
  302    HG   SER  43           HG       SER  43  -2.326  10.369  -4.633
  303    H    ALA  44           H        ALA  44   0.714   6.697  -5.540
  304    HA   ALA  44           HA       ALA  44   1.296   5.241  -3.143
  305   1HB   ALA  44          HB1       ALA  44   0.614   4.215  -5.279
  306   2HB   ALA  44          HB2       ALA  44   2.163   4.664  -6.001
  307   3HB   ALA  44          HB3       ALA  44   2.120   3.520  -4.650
  308    H    HIS  45           HN       HIS  45   3.202   7.608  -4.726
  309    HA   HIS  45           HA       HIS  45   5.630   6.667  -3.276
  310   1HB   HIS  45          HB2       HIS  45   5.553   8.180  -5.920
  311   2HB   HIS  45          HB3       HIS  45   6.991   7.542  -5.134
  312    HD1  HIS  45           HND      HIS  45   3.753   6.305  -6.795
  313    HD2  HIS  45           HD       HIS  45   7.564   4.946  -5.704
  314    HE1  HIS  45           HE       HIS  45   3.968   3.997  -7.754
  315    H    LYS  46           H        LYS  46   3.221   8.762  -3.008
  316    HA   LYS  46           HA       LYS  46   4.911  11.073  -2.160
  317   1HB   LYS  46          HB2       LYS  46   2.600  11.002  -3.683
  318   2HB   LYS  46          HB3       LYS  46   1.934  11.325  -2.092
  319   1HG   LYS  46          HG2       LYS  46   4.202  12.885  -3.406
  320   2HG   LYS  46          HG3       LYS  46   2.488  13.308  -3.514
  321   1HD   LYS  46          HD2       LYS  46   2.331  13.598  -1.089
  322   2HD   LYS  46          HD3       LYS  46   4.031  13.127  -0.880
  323   1HE   LYS  46          HE2       LYS  46   4.794  15.048  -2.201
  324   2HE   LYS  46          HE3       LYS  46   3.130  15.483  -2.618
  325   1HZ   LYS  46          HZ1       LYS  46   2.713  15.960  -0.309
  326   2HZ   LYS  46          HZ2       LYS  46   4.240  15.524   0.117
  327   3HZ   LYS  46          HZ3       LYS  46   3.995  16.843  -0.833
  328    H    ASP  47           H        ASP  47   2.047   9.198  -1.136
  329    HA   ASP  47           HA       ASP  47   2.962   9.229   1.674
  330   1HB   ASP  47          HB2       ASP  47   1.853  11.459   1.148
  331   2HB   ASP  47          HB3       ASP  47   0.334  10.571   0.907
  332    H    ALA  48           H        ALA  48   0.139   8.445  -0.431
  333    HA   ALA  48           HA       ALA  48  -1.041   6.481   1.148
  334   1HB   ALA  48          HB1       ALA  48  -1.924   5.541  -0.943
  335   2HB   ALA  48          HB2       ALA  48  -1.998   7.313  -0.954
  336   3HB   ALA  48          HB3       ALA  48  -0.736   6.468  -1.879
  337    H    CYS  49           HN       CYS  49  -0.480   4.536   1.850
  338    HA   CYS  49           HA       CYS  49   0.664   2.678   2.361
  339   1HB   CYS  49          HB2       CYS  49   1.895   2.734  -0.392
  340   2HB   CYS  49          HB3       CYS  49   1.811   1.372   0.714
  341    H    LYS  50           H        LYS  50   3.006   4.698   0.487
  342    HA   LYS  50           HA       LYS  50   5.316   4.120   1.865
  343   1HB   LYS  50          HB2       LYS  50   4.275   6.706   0.678
  344   2HB   LYS  50          HB3       LYS  50   5.828   6.602   1.507
  345   1HG   LYS  50          HG2       LYS  50   5.855   4.380  -0.250
  346   2HG   LYS  50          HG3       LYS  50   5.103   5.675  -1.159
  347   1HD   LYS  50          HD2       LYS  50   7.833   5.762   0.245
  348   2HD   LYS  50          HD3       LYS  50   7.518   5.642  -1.493
  349   1HE   LYS  50          HE2       LYS  50   6.076   7.869  -0.965
  350   2HE   LYS  50          HE3       LYS  50   7.211   8.040   0.358
  351   1HZ   LYS  50          HZ1       LYS  50   8.937   8.400  -1.106
  352   2HZ   LYS  50          HZ2       LYS  50   8.256   7.516  -2.320
  353   3HZ   LYS  50          HZ3       LYS  50   7.661   8.990  -2.007
  354    H    THR  51           H        THR  51   3.069   6.762   2.964
  355    HA   THR  51           HA       THR  51   4.809   7.377   5.161
  356    HB   THR  51           HB       THR  51   1.999   8.246   4.543
  357    HG1  THR  51           HG1      THR  51   3.167  10.061   3.996
  358   1HG2  THR  51          HG2       THR  51   3.863   9.169   6.789
  359   2HG2  THR  51          HG2       THR  51   2.418  10.037   6.226
  360   3HG2  THR  51          HG2       THR  51   2.244   8.454   6.991
  361    H    CYS  52           HN       CYS  52   2.274   4.953   5.017
  362    HA   CYS  52           HA       CYS  52   2.389   4.468   7.927
  363   1HB   CYS  52          HB2       CYS  52   0.502   3.708   6.629
  364   2HB   CYS  52          HB3       CYS  52   1.555   2.660   5.654
  365    H    HIS  53           HN       HIS  53   3.731   2.885   5.004
  366    HA   HIS  53           HA       HIS  53   5.555   1.127   6.154
  367   1HB   HIS  53          HB2       HIS  53   5.423   2.665   3.586
  368   2HB   HIS  53          HB3       HIS  53   6.866   1.761   3.957
  369    HD1  HIS  53           HND      HIS  53   6.171   0.149   1.849
  370    HD2  HIS  53           HD       HIS  53   3.515   0.238   5.092
  371    HE1  HIS  53           HE       HIS  53   4.540  -1.802   1.539
  372    H    LYS  54           H        LYS  54   6.134   4.613   5.651
  373    HA   LYS  54           HA       LYS  54   8.819   4.949   6.436
  374   1HB   LYS  54          HB2       LYS  54   6.504   6.748   6.972
  375   2HB   LYS  54          HB3       LYS  54   8.242   7.086   7.139
  376   1HG   LYS  54          HG2       LYS  54   8.469   6.253   4.702
  377   2HG   LYS  54          HG3       LYS  54   6.762   6.606   4.587
  378   1HD   LYS  54          HD2       LYS  54   7.557   8.878   5.848
  379   2HD   LYS  54          HD3       LYS  54   9.089   8.346   5.156
  380   1HE   LYS  54          HE2       LYS  54   8.362   9.698   3.402
  381   2HE   LYS  54          HE3       LYS  54   7.598   8.190   2.894
  382   1HZ   LYS  54          HZ1       LYS  54   5.492   9.064   3.962
  383   2HZ   LYS  54          HZ2       LYS  54   6.305  10.394   4.412
  384   3HZ   LYS  54          HZ3       LYS  54   6.056  10.076   2.830
  385    H    SER  55           H        SER  55   5.879   4.624   8.480
  386    HA   SER  55           HA       SER  55   7.227   5.137  10.992
  387   1HB   SER  55          HB2       SER  55   4.768   5.398  10.610
  388   2HB   SER  55          HB3       SER  55   4.620   3.641  10.460
  389    HG   SER  55           HG       SER  55   5.629   5.024  12.738
  390    H    ASN  56           H        ASN  56   6.334   2.218   9.164
  391    HA   ASN  56           HA       ASN  56   8.013   0.525  10.989
  392   1HB   ASN  56          HB2       ASN  56   7.174  -1.404   9.721
  393   2HB   ASN  56          HB3       ASN  56   5.970  -0.520  10.655
  394   1HD2  ASN  56          HD2       ASN  56   4.511   0.975   9.499
  395   2HD2  ASN  56          HD2       ASN  56   4.078   0.563   7.853
  396    H    ASN  57           H        ASN  57   9.723   2.022  10.185
  397    HA   ASN  57           HA       ASN  57  11.856   1.927   9.463
  398   1HB   ASN  57          HB2       ASN  57  11.279  -0.445   7.672
  399   2HB   ASN  57          HB3       ASN  57  12.813   0.100   8.333
  400   1HD2  ASN  57          HD2       ASN  57   9.825  -1.618   9.009
  401   2HD2  ASN  57          HD2       ASN  57  10.396  -2.351  10.514
  402    H    GLY  58           H        GLY  58   9.450   1.553   6.845
  403   1HA   GLY  58          HA2       GLY  58   9.195   2.830   4.918
  404   2HA   GLY  58          HA3       GLY  58  10.488   3.869   5.500
  405    HA   PRO  59           HA       PRO  59  12.751   0.593   2.813
  406   1HB   PRO  59          HB2       PRO  59  11.366  -1.343   1.492
  407   2HB   PRO  59          HB3       PRO  59  11.782  -1.476   3.215
  408   1HG   PRO  59          HG2       PRO  59   9.174  -0.450   2.046
  409   2HG   PRO  59          HG3       PRO  59   9.385  -1.777   3.229
  410   1HD   PRO  59          HD2       PRO  59   8.847   0.716   4.085
  411   2HD   PRO  59          HD3       PRO  59  10.069  -0.257   4.938
  412    H    THR  60           H        THR  60  12.141   3.044   2.060
  413    HA   THR  60           HA       THR  60  10.846   3.170  -0.582
  414    HB   THR  60           HB       THR  60  12.288   5.361   0.959
  415    HG1  THR  60           HG1      THR  60  10.504   4.462   2.083
  416   1HG2  THR  60          HG2       THR  60  10.794   6.847  -0.347
  417   2HG2  THR  60          HG2       THR  60  11.887   5.979  -1.428
  418   3HG2  THR  60          HG2       THR  60  10.197   5.451  -1.272
  419    H    LYS  61           H        LYS  61  12.631   1.380  -0.981
  420    HA   LYS  61           HA       LYS  61  14.684   2.750  -2.687
  421   1HB   LYS  61          HB2       LYS  61  15.469   1.553  -0.444
  422   2HB   LYS  61          HB3       LYS  61  15.266   0.097  -1.431
  423   1HG   LYS  61          HG2       LYS  61  16.669   1.725  -3.178
  424   2HG   LYS  61          HG3       LYS  61  17.257   2.361  -1.643
  425   1HD   LYS  61          HD2       LYS  61  17.367  -0.522  -2.649
  426   2HD   LYS  61          HD3       LYS  61  18.720   0.621  -2.586
  427   1HE   LYS  61          HE2       LYS  61  18.491   0.714  -0.077
  428   2HE   LYS  61          HE3       LYS  61  17.217  -0.511  -0.171
  429   1HZ   LYS  61          HZ1       LYS  61  18.828  -2.001  -1.196
  430   2HZ   LYS  61          HZ2       LYS  61  20.012  -0.871  -1.048
  431   3HZ   LYS  61          HZ3       LYS  61  19.330  -1.526   0.297
  432    H    CYS  62           HN       CYS  62  12.064   1.647  -3.109
  433    HA   CYS  62           HA       CYS  62  10.891   0.856  -4.890
  434   1HB   CYS  62          HB2       CYS  62  13.423   0.228  -6.375
  435   2HB   CYS  62          HB3       CYS  62  11.850   0.727  -6.993
  436    H    GLY  63           H        GLY  63  13.715  -1.309  -4.788
  437   1HA   GLY  63          HA2       GLY  63  12.376  -3.718  -5.462
  438   2HA   GLY  63          HA3       GLY  63  13.903  -3.592  -4.584
  439    H    GLY  64           H        GLY  64  12.467  -1.993  -2.420
  440   1HA   GLY  64          HA2       GLY  64  11.674  -4.187  -0.686
  441   2HA   GLY  64          HA3       GLY  64  11.647  -2.461  -0.332
  442    H    CYS  65           HN       CYS  65   9.921  -2.319  -3.014
  443    HA   CYS  65           HA       CYS  65   7.310  -3.369  -1.916
  444   1HB   CYS  65          HB2       CYS  65   7.941  -0.852  -3.450
  445   2HB   CYS  65          HB3       CYS  65   6.373  -1.652  -3.567
  446    H    HIS  66           HN       HIS  66   9.127  -2.559  -4.904
  447    HA   HIS  66           HA       HIS  66   7.389  -4.210  -6.576
  448   1HB   HIS  66          HB2       HIS  66   9.941  -2.648  -7.119
  449   2HB   HIS  66          HB3       HIS  66   8.999  -3.495  -8.290
  450    HD1  HIS  66           HND      HIS  66   6.865  -2.487  -9.186
  451    HD2  HIS  66           HD       HIS  66   8.711  -0.265  -6.166
  452    HE1  HIS  66           HE       HIS  66   5.749  -0.199  -9.210
  453    H    ILE  67           H        ILE  67   7.696  -6.305  -7.135
  454    HA   ILE  67           HA       ILE  67  10.015  -7.874  -6.364
  455    HB   ILE  67           HB       ILE  67   7.969  -8.465  -8.528
  456   1HG1  ILE  67          HG1       ILE  67   7.952  -8.945  -5.508
  457   2HG1  ILE  67          HG1       ILE  67   6.824  -7.988  -6.466
  458   1HG2  ILE  67          HG2       ILE  67   8.451 -10.901  -7.867
  459   2HG2  ILE  67          HG2       ILE  67   9.663 -10.111  -8.797
  460   3HG2  ILE  67          HG2       ILE  67   9.884 -10.290  -7.028
  461   1HD1  ILE  67          HD1       ILE  67   6.078 -10.109  -7.611
  462   2HD1  ILE  67          HD1       ILE  67   6.940 -10.984  -6.311
  463   3HD1  ILE  67          HD1       ILE  67   5.624  -9.881  -5.909
  464    H    LYS  68           H        LYS  68  11.219  -9.120  -8.260
  465    HA   LYS  68           HA       LYS  68  12.684  -7.447 -10.042
  466   1HB   LYS  68          HB2       LYS  68  11.876 -10.378 -10.260
  467   2HB   LYS  68          HB3       LYS  68  13.090  -9.568 -11.261
  468   1HG   LYS  68          HG2       LYS  68  14.516  -9.186  -9.277
  469   2HG   LYS  68          HG3       LYS  68  13.285  -9.877  -8.231
  470   1HD   LYS  68          HD2       LYS  68  15.034 -11.554  -8.684
  471   2HD   LYS  68          HD3       LYS  68  13.444 -12.061  -9.245
  472   1HE   LYS  68          HE2       LYS  68  15.243 -12.646 -10.848
  473   2HE   LYS  68          HE3       LYS  68  13.992 -11.633 -11.563
  474   1HZ   LYS  68          HZ1       LYS  68  15.423  -9.733 -11.271
  475   2HZ   LYS  68          HZ2       LYS  68  16.596 -10.653 -10.568
  476   3HZ   LYS  68          HZ3       LYS  68  16.204 -10.880 -12.152
  477    HHA  HEC 130           HCM      HEC  30 -10.792  -0.124  -2.897
  478    HHB  HEC 130           HDM      HEC  30 -13.682  -2.536   2.138
  479    HHC  HEC 130           HAM      HEC  30  -8.058  -3.584   4.665
  480    HHD  HEC 130           HBM      HEC  30  -5.681   0.336   0.534
  481   1HMA  HEC 130          HM8       HEC  30 -15.512  -1.003  -0.763
  482   2HMA  HEC 130          HM8       HEC  30 -15.219  -2.687  -0.287
  483   3HMA  HEC 130          HM8       HEC  30 -15.262  -1.391   0.931
  484   1HAA  HEC 130          HP7       HEC  30 -12.902   0.069  -3.301
  485   2HAA  HEC 130          HP7       HEC  30 -14.238   0.362  -2.209
  486   1HBA  HEC 130          HP7       HEC  30 -14.920  -2.121  -2.711
  487   2HBA  HEC 130          HP7       HEC  30 -13.798  -1.976  -4.060
  488   1HMB  HEC 130          HM1       HEC  30 -13.836  -4.401   3.791
  489   2HMB  HEC 130          HM1       HEC  30 -13.244  -4.256   5.449
  490   3HMB  HEC 130          HM1       HEC  30 -13.928  -2.844   4.655
  491    HAB  HEC 130           HT2      HEC  30  -9.405  -4.360   6.032
  492   1HBB  HEC 130          HT2       HEC  30 -11.834  -6.044   5.359
  493   2HBB  HEC 130          HT2       HEC  30 -10.163  -6.346   4.850
  494   3HBB  HEC 130          HT2       HEC  30 -10.606  -6.427   6.568
  495   1HMC  HEC 130          HM3       HEC  30  -5.528  -4.038   4.322
  496   2HMC  HEC 130          HM3       HEC  30  -4.446  -2.659   4.550
  497   3HMC  HEC 130          HM3       HEC  30  -5.929  -2.751   5.497
  498    HAC  HEC 130           HT4      HEC  30  -4.404   0.383   2.128
  499   1HBC  HEC 130          HT4       HEC  30  -2.316  -0.780   2.563
  500   2HBC  HEC 130          HT4       HEC  30  -3.196  -2.307   2.756
  501   3HBC  HEC 130          HT4       HEC  30  -3.284  -1.418   1.215
  502   1HMD  HEC 130          HM5       HEC  30  -5.769   1.438  -2.907
  503   2HMD  HEC 130          HM5       HEC  30  -5.565   2.060  -1.266
  504   3HMD  HEC 130          HM5       HEC  30  -5.059   0.401  -1.651
  505   1HAD  HEC 130          HP6       HEC  30  -7.473   1.198  -4.200
  506   2HAD  HEC 130          HP6       HEC  30  -9.182   0.971  -4.219
  507   1HBD  HEC 130          HP6       HEC  30  -8.831  -1.516  -3.955
  508   2HBD  HEC 130          HP6       HEC  30  -7.092  -1.230  -4.020
  509    HHA  HEC 153           HCM      HEC  53   5.329  -5.290   4.963
  510    HHB  HEC 153           HDM      HEC  53   2.508  -4.108  -0.460
  511    HHC  HEC 153           HAM      HEC  53  -0.419   0.692   2.144
  512    HHD  HEC 153           HBM      HEC  53   1.547  -1.197   7.760
  513   1HMA  HEC 153          HM8       HEC  53   3.322  -6.376  -0.458
  514   2HMA  HEC 153          HM8       HEC  53   4.740  -5.377  -0.849
  515   3HMA  HEC 153          HM8       HEC  53   4.932  -6.915   0.015
  516   1HAA  HEC 153          HP7       HEC  53   6.419  -6.478   3.444
  517   2HAA  HEC 153          HP7       HEC  53   6.247  -6.991   1.786
  518   1HBA  HEC 153          HP7       HEC  53   4.141  -8.180   2.355
  519   2HBA  HEC 153          HP7       HEC  53   4.326  -7.673   4.036
  520   1HMB  HEC 153          HM1       HEC  53   0.555  -2.593  -2.287
  521   2HMB  HEC 153          HM1       HEC  53   1.506  -1.076  -2.330
  522   3HMB  HEC 153          HM1       HEC  53   2.296  -2.598  -1.997
  523    HAB  HEC 153           HT2      HEC  53  -1.517  -0.084   0.182
  524   1HBB  HEC 153          HT2       HEC  53  -0.267   0.153  -2.543
  525   2HBB  HEC 153          HT2       HEC  53  -1.246  -1.237  -1.988
  526   3HBB  HEC 153          HT2       HEC  53  -1.940   0.377  -2.074
  527   1HMC  HEC 153          HM3       HEC  53  -0.747   2.760   4.719
  528   2HMC  HEC 153          HM3       HEC  53  -1.581   1.826   3.474
  529   3HMC  HEC 153          HM3       HEC  53  -2.123   1.713   5.110
  530    HAC  HEC 153           HT4      HEC  53  -0.227   0.049   8.110
  531   1HBC  HEC 153          HT4       HEC  53  -2.259   1.121   7.240
  532   2HBC  HEC 153          HT4       HEC  53  -1.520   1.936   8.626
  533   3HBC  HEC 153          HT4       HEC  53  -1.367   2.635   7.026
  534   1HMD  HEC 153          HM5       HEC  53   3.193  -1.734   9.252
  535   2HMD  HEC 153          HM5       HEC  53   2.427  -3.327   9.458
  536   3HMD  HEC 153          HM5       HEC  53   4.192  -3.153   9.548
  537   1HAD  HEC 153          HP6       HEC  53   5.186  -5.886   7.111
  538   2HAD  HEC 153          HP6       HEC  53   4.677  -5.196   8.632
  539   1HBD  HEC 153          HP6       HEC  53   6.441  -3.431   8.396
  540   2HBD  HEC 153          HP6       HEC  53   7.012  -4.256   6.939
  541    HHA  HEC 166           HCM      HEC  66   3.472   1.908 -10.440
  542    HHB  HEC 166           HDM      HEC  66   9.498   3.260 -10.356
  543    HHC  HEC 166           HAM      HEC  66   9.537   2.766  -4.146
  544    HHD  HEC 166           HBM      HEC  66   3.670   0.752  -4.281
  545   1HMA  HEC 166          HM8       HEC  66   7.704   4.280 -12.884
  546   2HMA  HEC 166          HM8       HEC  66   8.983   3.123 -12.444
  547   3HMA  HEC 166          HM8       HEC  66   7.628   2.599 -13.414
  548   1HAA  HEC 166          HP7       HEC  66   5.289   3.177 -13.398
  549   2HAA  HEC 166          HP7       HEC  66   3.894   3.057 -12.350
  550   1HBA  HEC 166          HP7       HEC  66   3.484   1.046 -13.138
  551   2HBA  HEC 166          HP7       HEC  66   4.936   0.466 -12.335
  552   1HMB  HEC 166          HM1       HEC  66  11.319   4.572  -9.505
  553   2HMB  HEC 166          HM1       HEC  66  12.518   3.981  -8.358
  554   3HMB  HEC 166          HM1       HEC  66  11.847   2.871  -9.547
  555    HAB  HEC 166           HT2      HEC  66  11.493   3.268  -4.662
  556   1HBB  HEC 166          HT2       HEC  66  12.922   5.173  -4.966
  557   2HBB  HEC 166          HT2       HEC  66  12.369   5.392  -6.631
  558   3HBB  HEC 166          HT2       HEC  66  11.235   5.621  -5.291
  559   1HMC  HEC 166          HM3       HEC  66   8.992   1.323  -2.013
  560   2HMC  HEC 166          HM3       HEC  66   8.591   3.063  -2.005
  561   3HMC  HEC 166          HM3       HEC  66   7.608   1.917  -1.097
  562    HAC  HEC 166           HT4      HEC  66   4.664  -0.216  -2.594
  563   1HBC  HEC 166          HT4       HEC  66   5.431   1.873  -0.523
  564   2HBC  HEC 166          HT4       HEC  66   3.981   1.929  -1.541
  565   3HBC  HEC 166          HT4       HEC  66   4.204   0.604  -0.382
  566   1HMD  HEC 166          HM5       HEC  66   0.465   0.928  -6.250
  567   2HMD  HEC 166          HM5       HEC  66   1.371  -0.345  -5.449
  568   3HMD  HEC 166          HM5       HEC  66   1.449   1.317  -4.848
  569   1HAD  HEC 166          HP6       HEC  66   0.537   1.886  -8.550
  570   2HAD  HEC 166          HP6       HEC  66   0.692   0.152  -8.434
  571   1HBD  HEC 166          HP6       HEC  66   0.310   0.341 -10.612
  572   2HBD  HEC 166          HP6       HEC  66   2.044   0.273 -10.636
  Start of MODEL   20
    1   1H    ALA   1          H1        ALA   1 -11.166  -5.969  -2.610
    2   2H    ALA   1          H2        ALA   1 -12.549  -6.684  -2.700
    3   3H    ALA   1          H3        ALA   1 -11.685  -6.860  -1.333
    4    HA   ALA   1           HA       ALA   1 -11.666  -8.905  -2.737
    5   1HB   ALA   1          HB1       ALA   1 -11.631  -7.755  -4.907
    6   2HB   ALA   1          HB2       ALA   1 -10.012  -7.110  -4.561
    7   3HB   ALA   1          HB3       ALA   1 -10.250  -8.859  -4.756
    8    H    ASP   2           H        ASP   2 -10.354 -10.283  -1.593
    9    HA   ASP   2           HA       ASP   2  -8.270  -9.216   0.063
   10   1HB   ASP   2          HB2       ASP   2  -8.196 -11.679   0.734
   11   2HB   ASP   2          HB3       ASP   2  -9.506 -10.592   1.231
   12    H    VAL   3           H        VAL   3  -6.241  -9.046  -0.300
   13    HA   VAL   3           HA       VAL   3  -4.200  -9.042  -1.192
   14    HB   VAL   3           HB       VAL   3  -4.783 -11.986  -1.367
   15   1HG1  VAL   3          HG1       VAL   3  -2.277 -12.256  -1.451
   16   2HG1  VAL   3          HG1       VAL   3  -2.916 -11.562  -2.939
   17   3HG1  VAL   3          HG1       VAL   3  -2.127 -10.512  -1.740
   18   1HG2  VAL   3          HG2       VAL   3  -3.120 -10.296   0.556
   19   2HG2  VAL   3          HG2       VAL   3  -4.743 -10.941   0.901
   20   3HG2  VAL   3          HG2       VAL   3  -3.379 -12.044   0.660
   21    H    VAL   4           H        VAL   4  -4.214  -7.700  -2.868
   22    HA   VAL   4           HA       VAL   4  -4.939  -8.758  -5.584
   23    HB   VAL   4           HB       VAL   4  -5.043  -5.891  -4.570
   24   1HG1  VAL   4          HG1       VAL   4  -5.975  -7.163  -7.180
   25   2HG1  VAL   4          HG1       VAL   4  -6.297  -5.492  -6.680
   26   3HG1  VAL   4          HG1       VAL   4  -4.640  -6.004  -6.996
   27   1HG2  VAL   4          HG2       VAL   4  -7.285  -7.898  -5.013
   28   2HG2  VAL   4          HG2       VAL   4  -6.785  -7.160  -3.474
   29   3HG2  VAL   4          HG2       VAL   4  -7.510  -6.156  -4.734
   30    H    THR   5           H        THR   5  -3.487  -8.346  -7.276
   31    HA   THR   5           HA       THR   5  -0.860  -7.132  -6.519
   32    HB   THR   5           HB       THR   5  -1.476  -9.744  -7.715
   33    HG1  THR   5           HG1      THR   5   0.889  -8.485  -6.788
   34   1HG2  THR   5          HG2       THR   5   0.398  -9.780  -9.304
   35   2HG2  THR   5          HG2       THR   5  -0.941  -8.772  -9.858
   36   3HG2  THR   5          HG2       THR   5   0.543  -8.017  -9.202
   37    H    TYR   6           H        TYR   6   0.037  -5.651  -7.750
   38    HA   TYR   6           HA       TYR   6  -1.555  -4.684 -10.120
   39   1HB   TYR   6          HB2       TYR   6  -0.121  -3.039  -8.002
   40   2HB   TYR   6          HB3       TYR   6  -0.185  -2.585  -9.632
   41    HD1  TYR   6           HD1      TYR   6  -1.766  -0.923 -10.025
   42    HD2  TYR   6           HD2      TYR   6  -2.750  -4.108  -7.294
   43    HE1  TYR   6           HE1      TYR   6  -3.776   0.322  -9.280
   44    HE2  TYR   6           HE2      TYR   6  -4.862  -2.950  -6.721
   45    HH   TYR   6           HH       TYR   6  -6.320  -1.032  -7.358
   46    H    GLU   7           H        GLU   7  -0.602  -5.181 -11.921
   47    HA   GLU   7           HA       GLU   7   2.285  -5.814 -12.028
   48   1HB   GLU   7          HB2       GLU   7  -0.021  -6.566 -13.853
   49   2HB   GLU   7          HB3       GLU   7   1.639  -7.164 -13.958
   50   1HG   GLU   7          HG2       GLU   7   1.348  -8.127 -11.691
   51   2HG   GLU   7          HG3       GLU   7  -0.337  -7.567 -11.659
   52    H    ASN   8           H        ASN   8   3.382  -3.926 -12.526
   53    HA   ASN   8           HA       ASN   8   2.306  -2.141 -14.644
   54   1HB   ASN   8          HB2       ASN   8   4.130  -0.633 -13.837
   55   2HB   ASN   8          HB3       ASN   8   2.815  -0.945 -12.709
   56   1HD2  ASN   8          HD2       ASN   8   3.211  -2.240 -10.858
   57   2HD2  ASN   8          HD2       ASN   8   4.819  -2.615 -10.271
   58    H    ALA   9           H        ALA   9   5.696  -2.712 -13.942
   59    HA   ALA   9           HA       ALA   9   6.528  -3.952 -16.392
   60   1HB   ALA   9          HB1       ALA   9   5.723  -1.879 -17.424
   61   2HB   ALA   9          HB2       ALA   9   6.547  -0.914 -16.183
   62   3HB   ALA   9          HB3       ALA   9   7.491  -1.835 -17.383
   63    H    ALA  10           H        ALA  10   7.281  -1.565 -13.801
   64    HA   ALA  10           HA       ALA  10  10.146  -2.330 -13.786
   65   1HB   ALA  10          HB1       ALA  10   8.601  -0.185 -12.284
   66   2HB   ALA  10          HB2       ALA  10  10.370  -0.358 -12.355
   67   3HB   ALA  10          HB3       ALA  10   9.460   0.047 -13.823
   68    H    GLY  11           H        GLY  11   7.912  -4.131 -12.777
   69   1HA   GLY  11          HA2       GLY  11   8.439  -5.872 -11.076
   70   2HA   GLY  11          HA3       GLY  11   8.914  -4.594  -9.979
   71    H    ASN  12           H        ASN  12   6.390  -6.657 -10.746
   72    HA   ASN  12           HA       ASN  12   4.160  -4.879 -10.251
   73   1HB   ASN  12          HB2       ASN  12   2.774  -6.748 -10.097
   74   2HB   ASN  12          HB3       ASN  12   3.952  -7.180 -11.335
   75   1HD2  ASN  12          HD2       ASN  12   2.685  -7.832  -8.094
   76   2HD2  ASN  12          HD2       ASN  12   3.594  -9.324  -7.915
   77    H    VAL  13           H        VAL  13   2.758  -5.186  -8.354
   78    HA   VAL  13           HA       VAL  13   4.251  -5.633  -5.794
   79    HB   VAL  13           HB       VAL  13   4.148  -3.272  -6.295
   80   1HG1  VAL  13          HG1       VAL  13   1.154  -3.644  -6.411
   81   2HG1  VAL  13          HG1       VAL  13   2.016  -2.090  -6.485
   82   3HG1  VAL  13          HG1       VAL  13   2.207  -3.226  -7.797
   83   1HG2  VAL  13          HG2       VAL  13   2.049  -3.693  -4.149
   84   2HG2  VAL  13          HG2       VAL  13   3.792  -3.988  -3.875
   85   3HG2  VAL  13          HG2       VAL  13   3.210  -2.377  -4.329
   86    H    THR  14           H        THR  14   2.530  -5.642  -3.971
   87    HA   THR  14           HA       THR  14   0.266  -7.423  -4.493
   88    HB   THR  14           HB       THR  14   2.465  -7.905  -2.432
   89    HG1  THR  14           HG1      THR  14   2.136 -10.037  -3.616
   90   1HG2  THR  14          HG2       THR  14  -0.231  -9.278  -2.870
   91   2HG2  THR  14          HG2       THR  14   1.048  -9.855  -1.780
   92   3HG2  THR  14          HG2       THR  14   0.233  -8.332  -1.435
   93    H    PHE  15           H        PHE  15  -1.050  -5.847  -4.089
   94    HA   PHE  15           HA       PHE  15  -1.146  -4.095  -1.701
   95   1HB   PHE  15          HB2       PHE  15  -3.160  -4.892  -3.832
   96   2HB   PHE  15          HB3       PHE  15  -3.591  -3.957  -2.409
   97    HD1  PHE  15           HD1      PHE  15  -4.445  -2.108  -3.579
   98    HD2  PHE  15           HD2      PHE  15  -0.446  -3.468  -4.470
   99    HE1  PHE  15           HE1      PHE  15  -4.146  -0.254  -5.180
  100    HE2  PHE  15           HE2      PHE  15  -0.179  -1.605  -6.045
  101    HZ   PHE  15           HZ       PHE  15  -2.039  -0.054  -6.466
  102    H    ASP  16           H        ASP  16  -1.014  -5.328   0.158
  103    HA   ASP  16           HA       ASP  16  -2.033  -8.030   0.236
  104   1HB   ASP  16          HB2       ASP  16  -0.974  -6.930   2.750
  105   2HB   ASP  16          HB3       ASP  16  -0.407  -8.283   1.783
  106    H    HIS  17           HN       HIS  17  -4.215  -6.866  -0.223
  107    HA   HIS  17           HA       HIS  17  -5.499  -5.197   1.401
  108   1HB   HIS  17          HB2       HIS  17  -6.185  -6.645  -0.822
  109   2HB   HIS  17          HB3       HIS  17  -7.237  -7.412   0.356
  110    HD1  HIS  17           HND      HIS  17  -8.368  -5.680  -2.004
  111    HD2  HIS  17           HD       HIS  17  -7.676  -4.486   1.932
  112    HE1  HIS  17           HE       HIS  17  -9.675  -3.511  -1.687
  113    H    LYS  18           H        LYS  18  -5.505  -8.659   1.758
  114    HA   LYS  18           HA       LYS  18  -7.162  -8.640   4.201
  115   1HB   LYS  18          HB2       LYS  18  -7.189 -10.299   2.187
  116   2HB   LYS  18          HB3       LYS  18  -5.881 -11.108   3.030
  117   1HG   LYS  18          HG2       LYS  18  -7.479 -11.037   5.128
  118   2HG   LYS  18          HG3       LYS  18  -8.727 -10.579   3.961
  119   1HD   LYS  18          HD2       LYS  18  -7.826 -12.773   2.659
  120   2HD   LYS  18          HD3       LYS  18  -7.152 -13.155   4.238
  121   1HE   LYS  18          HE2       LYS  18  -9.225 -14.267   4.215
  122   2HE   LYS  18          HE3       LYS  18  -9.535 -12.821   5.188
  123   1HZ   LYS  18          HZ1       LYS  18 -10.485 -11.822   3.152
  124   2HZ   LYS  18          HZ2       LYS  18 -10.185 -13.168   2.296
  125   3HZ   LYS  18          HZ3       LYS  18 -11.271 -13.220   3.516
  126    H    ALA  19           H        ALA  19  -3.842  -9.784   3.293
  127    HA   ALA  19           HA       ALA  19  -3.055 -10.583   5.875
  128   1HB   ALA  19          HB1       ALA  19  -1.881 -11.186   3.775
  129   2HB   ALA  19          HB2       ALA  19  -1.339  -9.500   3.598
  130   3HB   ALA  19          HB3       ALA  19  -0.763 -10.480   4.961
  131    H    HIS  20           HN       HIS  20  -2.663  -7.328   4.370
  132    HA   HIS  20           HA       HIS  20  -1.437  -6.175   6.729
  133   1HB   HIS  20          HB2       HIS  20  -2.850  -4.993   4.314
  134   2HB   HIS  20          HB3       HIS  20  -2.477  -4.039   5.737
  135    HD1  HIS  20           HND      HIS  20   0.116  -6.568   4.739
  136    HD2  HIS  20           HD       HIS  20  -0.725  -2.465   4.408
  137    HE1  HIS  20           HE       HIS  20   2.260  -5.468   4.073
  138    H    ALA  21           H        ALA  21  -4.876  -6.353   5.612
  139    HA   ALA  21           HA       ALA  21  -6.070  -4.955   7.726
  140   1HB   ALA  21          HB1       ALA  21  -7.213  -7.339   6.240
  141   2HB   ALA  21          HB2       ALA  21  -8.084  -6.175   7.237
  142   3HB   ALA  21          HB3       ALA  21  -7.288  -5.633   5.742
  143    H    GLU  22           H        GLU  22  -5.242  -8.441   7.645
  144    HA   GLU  22           HA       GLU  22  -6.293  -9.325  10.036
  145   1HB   GLU  22          HB2       GLU  22  -3.653  -9.970   8.679
  146   2HB   GLU  22          HB3       GLU  22  -4.282 -10.902  10.030
  147   1HG   GLU  22          HG2       GLU  22  -5.809 -10.552   7.416
  148   2HG   GLU  22          HG3       GLU  22  -4.770 -11.924   7.807
  149    H    LYS  23           H        LYS  23  -3.517  -7.160   9.679
  150    HA   LYS  23           HA       LYS  23  -3.218  -7.022  12.663
  151   1HB   LYS  23          HB2       LYS  23  -1.341  -6.785  10.406
  152   2HB   LYS  23          HB3       LYS  23  -1.287  -5.370  11.462
  153   1HG   LYS  23          HG2       LYS  23  -1.013  -6.798  13.431
  154   2HG   LYS  23          HG3       LYS  23  -1.061  -8.253  12.408
  155   1HD   LYS  23          HD2       LYS  23   0.934  -7.549  11.192
  156   2HD   LYS  23          HD3       LYS  23   0.996  -6.006  12.042
  157   1HE   LYS  23          HE2       LYS  23   1.296  -8.756  13.361
  158   2HE   LYS  23          HE3       LYS  23   2.643  -7.716  12.879
  159   1HZ   LYS  23          HZ1       LYS  23   1.810  -6.029  14.388
  160   2HZ   LYS  23          HZ2       LYS  23   0.587  -7.014  14.873
  161   3HZ   LYS  23          HZ3       LYS  23   2.144  -7.422  15.196
  162    H    LEU  24           H        LEU  24  -3.771  -5.012   9.793
  163    HA   LEU  24           HA       LEU  24  -3.802  -2.516  11.211
  164   1HB   LEU  24          HB2       LEU  24  -4.699  -3.331   8.422
  165   2HB   LEU  24          HB3       LEU  24  -4.619  -1.696   9.025
  166    HG   LEU  24           HG       LEU  24  -2.266  -3.523   8.501
  167   1HD1  LEU  24          HD1       LEU  24  -3.443  -2.391   6.608
  168   2HD1  LEU  24          HD1       LEU  24  -3.206  -0.845   7.367
  169   3HD1  LEU  24          HD1       LEU  24  -1.787  -1.774   6.815
  170   1HD2  LEU  24          HD2       LEU  24  -1.659  -2.281  10.498
  171   2HD2  LEU  24          HD2       LEU  24  -0.868  -1.531   9.109
  172   3HD2  LEU  24          HD2       LEU  24  -2.312  -0.773   9.817
  173    H    GLY  25           H        GLY  25  -6.488  -4.643  10.247
  174   1HA   GLY  25          HA2       GLY  25  -8.692  -4.553  10.824
  175   2HA   GLY  25          HA3       GLY  25  -8.324  -3.250  11.946
  176    H    CYS  26           HN       CYS  26  -7.966  -3.238   8.443
  177    HA   CYS  26           HA       CYS  26  -8.833  -2.105   6.702
  178   1HB   CYS  26          HB2       CYS  26 -11.353  -1.808   8.273
  179   2HB   CYS  26          HB3       CYS  26 -11.167  -1.762   6.516
  180    H    ASP  27           H        ASP  27 -10.027  -0.419   9.596
  181    HA   ASP  27           HA       ASP  27 -10.512   2.138   8.779
  182   1HB   ASP  27          HB2       ASP  27 -10.938   1.236  11.005
  183   2HB   ASP  27          HB3       ASP  27  -9.203   1.049  11.315
  184    H    ALA  28           H        ALA  28  -7.400   0.790   9.752
  185    HA   ALA  28           HA       ALA  28  -5.588   2.840   9.547
  186   1HB   ALA  28          HB1       ALA  28  -5.174   0.433  10.106
  187   2HB   ALA  28          HB2       ALA  28  -5.372   0.087   8.365
  188   3HB   ALA  28          HB3       ALA  28  -3.986   1.063   8.932
  189    H    CYS  29           HN       CYS  29  -7.226   1.354   6.738
  190    HA   CYS  29           HA       CYS  29  -5.636   3.078   4.843
  191   1HB   CYS  29          HB2       CYS  29  -6.969   0.392   4.466
  192   2HB   CYS  29          HB3       CYS  29  -6.329   1.416   3.172
  193    H    HIS  30           HN       HIS  30  -8.549   2.826   6.455
  194    HA   HIS  30           HA       HIS  30 -10.158   4.124   4.359
  195   1HB   HIS  30          HB2       HIS  30 -10.777   1.402   5.627
  196   2HB   HIS  30          HB3       HIS  30 -11.903   2.409   4.752
  197    HD1  HIS  30           HND      HIS  30 -10.707   2.956   2.079
  198    HD2  HIS  30           HD       HIS  30 -10.005  -0.563   4.193
  199    HE1  HIS  30           HE       HIS  30 -10.225   1.111   0.310
  200    H    GLU  31           H        GLU  31  -9.542   5.700   6.020
  201    HA   GLU  31           HA       GLU  31 -10.805   5.623   8.489
  202   1HB   GLU  31          HB2       GLU  31  -9.750   7.842   6.731
  203   2HB   GLU  31          HB3       GLU  31 -10.307   8.148   8.392
  204   1HG   GLU  31          HG2       GLU  31  -8.640   6.527   9.266
  205   2HG   GLU  31          HG3       GLU  31  -8.017   6.272   7.630
  206    H    GLY  32           H        GLY  32 -12.949   4.854   7.725
  207   1HA   GLY  32          HA2       GLY  32 -15.085   6.200   8.441
  208   2HA   GLY  32          HA3       GLY  32 -14.863   7.024   6.893
  209    H    THR  33           H        THR  33 -14.465   5.375   4.979
  210    HA   THR  33           HA       THR  33 -16.285   3.051   5.237
  211    HB   THR  33           HB       THR  33 -17.361   3.636   3.094
  212    HG1  THR  33           HG1      THR  33 -17.097   5.868   2.443
  213   1HG2  THR  33          HG2       THR  33 -18.415   4.290   5.278
  214   2HG2  THR  33          HG2       THR  33 -17.647   5.885   5.133
  215   3HG2  THR  33          HG2       THR  33 -18.841   5.365   3.933
  216    HA   PRO  34           HA       PRO  34 -13.110   1.281   2.575
  217   1HB   PRO  34          HB2       PRO  34 -14.209  -1.137   2.119
  218   2HB   PRO  34          HB3       PRO  34 -13.536  -0.679   3.714
  219   1HG   PRO  34          HG2       PRO  34 -16.419  -0.740   2.799
  220   2HG   PRO  34          HG3       PRO  34 -15.730  -1.293   4.358
  221   1HD   PRO  34          HD2       PRO  34 -16.947   1.166   3.978
  222   2HD   PRO  34          HD3       PRO  34 -15.674   0.849   5.199
  223    H    ALA  35           H        ALA  35 -12.898   2.048   0.524
  224    HA   ALA  35           HA       ALA  35 -14.812   1.286  -1.574
  225   1HB   ALA  35          HB1       ALA  35 -15.773   3.378  -0.653
  226   2HB   ALA  35          HB2       ALA  35 -14.222   4.205  -0.903
  227   3HB   ALA  35          HB3       ALA  35 -15.161   3.627  -2.297
  228    H    LYS  36           H        LYS  36 -13.968   2.204  -3.783
  229    HA   LYS  36           HA       LYS  36 -11.238   1.298  -3.909
  230   1HB   LYS  36          HB2       LYS  36 -13.022   2.265  -6.148
  231   2HB   LYS  36          HB3       LYS  36 -11.324   1.707  -6.242
  232   1HG   LYS  36          HG2       LYS  36 -11.899  -0.444  -5.301
  233   2HG   LYS  36          HG3       LYS  36 -13.608   0.016  -5.193
  234   1HD   LYS  36          HD2       LYS  36 -12.349  -1.432  -7.198
  235   2HD   LYS  36          HD3       LYS  36 -13.972  -0.772  -7.241
  236   1HE   LYS  36          HE2       LYS  36 -12.844  -0.267  -9.278
  237   2HE   LYS  36          HE3       LYS  36 -13.133   1.257  -8.431
  238   1HZ   LYS  36          HZ1       LYS  36 -10.582  -0.057  -7.929
  239   2HZ   LYS  36          HZ2       LYS  36 -10.759   0.578  -9.447
  240   3HZ   LYS  36          HZ3       LYS  36 -10.887   1.508  -8.097
  241    H    ILE  37           H        ILE  37  -9.993   2.736  -2.807
  242    HA   ILE  37           HA       ILE  37  -9.612   5.512  -3.500
  243    HB   ILE  37           HB       ILE  37  -7.733   3.492  -2.218
  244   1HG1  ILE  37          HG1       ILE  37  -9.350   5.650  -0.805
  245   2HG1  ILE  37          HG1       ILE  37 -10.008   4.034  -1.051
  246   1HG2  ILE  37          HG2       ILE  37  -7.603   6.544  -2.313
  247   2HG2  ILE  37          HG2       ILE  37  -6.552   5.522  -1.318
  248   3HG2  ILE  37          HG2       ILE  37  -6.453   5.423  -3.066
  249   1HD1  ILE  37          HD1       ILE  37  -9.037   4.169   1.144
  250   2HD1  ILE  37          HD1       ILE  37  -8.125   3.014   0.152
  251   3HD1  ILE  37          HD1       ILE  37  -7.461   4.627   0.494
  252    H    ALA  38           H        ALA  38  -8.209   6.482  -5.004
  253    HA   ALA  38           HA       ALA  38  -7.279   4.788  -7.207
  254   1HB   ALA  38          HB1       ALA  38  -8.434   6.858  -7.699
  255   2HB   ALA  38          HB2       ALA  38  -7.158   7.791  -6.873
  256   3HB   ALA  38          HB3       ALA  38  -6.771   6.838  -8.328
  257    H    ILE  39           H        ILE  39  -5.480   3.749  -7.022
  258    HA   ILE  39           HA       ILE  39  -3.117   4.877  -5.612
  259    HB   ILE  39           HB       ILE  39  -3.801   2.043  -6.370
  260   1HG1  ILE  39          HG1       ILE  39  -5.361   2.847  -4.668
  261   2HG1  ILE  39          HG1       ILE  39  -4.177   1.762  -3.997
  262   1HG2  ILE  39          HG2       ILE  39  -1.505   3.323  -4.859
  263   2HG2  ILE  39          HG2       ILE  39  -1.913   1.623  -4.668
  264   3HG2  ILE  39          HG2       ILE  39  -1.422   2.225  -6.261
  265   1HD1  ILE  39          HD1       ILE  39  -4.141   4.788  -3.663
  266   2HD1  ILE  39          HD1       ILE  39  -4.570   3.588  -2.446
  267   3HD1  ILE  39          HD1       ILE  39  -2.905   3.676  -3.032
  268    H    ASP  40           H        ASP  40  -1.716   5.879  -6.804
  269    HA   ASP  40           HA       ASP  40  -0.528   4.587  -9.172
  270   1HB   ASP  40          HB2       ASP  40  -2.400   5.945 -10.094
  271   2HB   ASP  40          HB3       ASP  40  -1.754   7.378  -9.262
  272    H    LYS  41           H        LYS  41   1.244   6.093  -9.952
  273    HA   LYS  41           HA       LYS  41   3.234   6.595  -7.899
  274   1HB   LYS  41          HB2       LYS  41   4.680   7.156  -9.778
  275   2HB   LYS  41          HB3       LYS  41   3.732   5.707 -10.107
  276   1HG   LYS  41          HG2       LYS  41   2.082   7.450 -11.317
  277   2HG   LYS  41          HG3       LYS  41   3.519   8.462 -11.362
  278   1HD   LYS  41          HD2       LYS  41   4.760   6.703 -12.557
  279   2HD   LYS  41          HD3       LYS  41   3.378   5.595 -12.368
  280   1HE   LYS  41          HE2       LYS  41   1.941   6.998 -13.719
  281   2HE   LYS  41          HE3       LYS  41   3.239   8.187 -13.948
  282   1HZ   LYS  41          HZ1       LYS  41   4.505   6.481 -15.112
  283   2HZ   LYS  41          HZ2       LYS  41   3.421   5.342 -14.813
  284   3HZ   LYS  41          HZ3       LYS  41   3.019   6.574 -15.814
  285    H    LYS  42           H        LYS  42   1.357   8.088  -7.001
  286    HA   LYS  42           HA       LYS  42   2.033  10.910  -7.192
  287   1HB   LYS  42          HB2       LYS  42   0.597  10.152  -9.292
  288   2HB   LYS  42          HB3       LYS  42  -0.754  10.154  -8.163
  289   1HG   LYS  42          HG2       LYS  42  -0.319  12.555  -7.671
  290   2HG   LYS  42          HG3       LYS  42   1.138  12.493  -8.691
  291   1HD   LYS  42          HD2       LYS  42  -0.294  11.801 -10.639
  292   2HD   LYS  42          HD3       LYS  42  -1.732  12.040  -9.631
  293   1HE   LYS  42          HE2       LYS  42  -1.132  14.441  -9.340
  294   2HE   LYS  42          HE3       LYS  42   0.356  14.194 -10.269
  295   1HZ   LYS  42          HZ1       LYS  42  -1.375  15.124 -11.643
  296   2HZ   LYS  42          HZ2       LYS  42  -0.993  13.618 -12.177
  297   3HZ   LYS  42          HZ3       LYS  42  -2.378  13.859 -11.329
  298    H    SER  43           H        SER  43  -0.473   8.471  -6.315
  299    HA   SER  43           HA       SER  43  -0.845   9.650  -3.622
  300   1HB   SER  43          HB2       SER  43  -2.476   7.702  -3.468
  301   2HB   SER  43          HB3       SER  43  -2.852   8.957  -4.658
  302    HG   SER  43           HG       SER  43  -3.126   6.985  -5.629
  303    H    ALA  44           H        ALA  44  -0.039   6.490  -5.072
  304    HA   ALA  44           HA       ALA  44   0.784   5.064  -2.844
  305   1HB   ALA  44          HB1       ALA  44   2.043   4.861  -5.614
  306   2HB   ALA  44          HB2       ALA  44   1.941   3.602  -4.374
  307   3HB   ALA  44          HB3       ALA  44   0.469   4.184  -5.180
  308    H    HIS  45           HN       HIS  45   2.824   7.054  -4.965
  309    HA   HIS  45           HA       HIS  45   5.238   6.534  -3.410
  310   1HB   HIS  45          HB2       HIS  45   4.634   8.331  -5.782
  311   2HB   HIS  45          HB3       HIS  45   6.225   8.189  -5.036
  312    HD1  HIS  45           HND      HIS  45   6.419   7.504  -7.822
  313    HD2  HIS  45           HD       HIS  45   5.268   4.685  -4.910
  314    HE1  HIS  45           HE       HIS  45   7.084   5.224  -8.709
  315    H    LYS  46           H        LYS  46   2.685   8.816  -2.988
  316    HA   LYS  46           HA       LYS  46   4.466  10.813  -1.658
  317   1HB   LYS  46          HB2       LYS  46   1.528  10.716  -2.380
  318   2HB   LYS  46          HB3       LYS  46   2.086  11.704  -1.039
  319   1HG   LYS  46          HG2       LYS  46   3.775  12.784  -2.654
  320   2HG   LYS  46          HG3       LYS  46   2.915  11.925  -3.941
  321   1HD   LYS  46          HD2       LYS  46   1.865  14.049  -3.882
  322   2HD   LYS  46          HD3       LYS  46   0.760  12.990  -2.994
  323   1HE   LYS  46          HE2       LYS  46   1.975  13.829  -0.826
  324   2HE   LYS  46          HE3       LYS  46   2.784  15.001  -1.861
  325   1HZ   LYS  46          HZ1       LYS  46   0.825  15.903  -0.809
  326   2HZ   LYS  46          HZ2       LYS  46   0.587  15.859  -2.436
  327   3HZ   LYS  46          HZ3       LYS  46  -0.132  14.742  -1.464
  328    H    ASP  47           H        ASP  47   1.552   8.944  -0.805
  329    HA   ASP  47           HA       ASP  47   2.354   9.088   2.075
  330   1HB   ASP  47          HB2       ASP  47   1.326  11.202   1.536
  331   2HB   ASP  47          HB3       ASP  47  -0.021  10.409   0.694
  332    H    ALA  48           H        ALA  48  -0.540   8.232   0.102
  333    HA   ALA  48           HA       ALA  48  -1.434   6.090   1.684
  334   1HB   ALA  48          HB1       ALA  48  -1.475   6.344  -1.360
  335   2HB   ALA  48          HB2       ALA  48  -2.482   5.237  -0.402
  336   3HB   ALA  48          HB3       ALA  48  -2.696   6.993  -0.238
  337    H    CYS  49           HN       CYS  49  -0.551   4.205   2.223
  338    HA   CYS  49           HA       CYS  49   0.886   2.478   2.437
  339   1HB   CYS  49          HB2       CYS  49   1.918   2.852  -0.362
  340   2HB   CYS  49          HB3       CYS  49   1.956   1.400   0.611
  341    H    LYS  50           H        LYS  50   2.604   4.968   0.484
  342    HA   LYS  50           HA       LYS  50   5.049   4.481   1.500
  343   1HB   LYS  50          HB2       LYS  50   3.786   6.780   0.225
  344   2HB   LYS  50          HB3       LYS  50   5.153   7.263   1.217
  345   1HG   LYS  50          HG2       LYS  50   5.388   4.967  -0.777
  346   2HG   LYS  50          HG3       LYS  50   5.528   6.651  -1.239
  347   1HD   LYS  50          HD2       LYS  50   7.746   5.778  -0.957
  348   2HD   LYS  50          HD3       LYS  50   7.407   7.053   0.220
  349   1HE   LYS  50          HE2       LYS  50   6.946   5.325   1.936
  350   2HE   LYS  50          HE3       LYS  50   7.303   4.031   0.777
  351   1HZ   LYS  50          HZ1       LYS  50   9.596   4.813   0.836
  352   2HZ   LYS  50          HZ2       LYS  50   9.173   6.114   1.734
  353   3HZ   LYS  50          HZ3       LYS  50   9.009   4.610   2.375
  354    H    THR  51           H        THR  51   2.789   6.794   3.137
  355    HA   THR  51           HA       THR  51   4.674   7.677   5.045
  356    HB   THR  51           HB       THR  51   1.650   7.643   5.074
  357    HG1  THR  51           HG1      THR  51   2.014   9.698   4.400
  358   1HG2  THR  51          HG2       THR  51   1.838   9.350   6.886
  359   2HG2  THR  51          HG2       THR  51   2.319   7.743   7.456
  360   3HG2  THR  51          HG2       THR  51   3.561   8.961   7.066
  361    H    CYS  52           HN       CYS  52   2.557   4.791   5.283
  362    HA   CYS  52           HA       CYS  52   3.498   4.019   7.932
  363   1HB   CYS  52          HB2       CYS  52   2.597   2.316   5.595
  364   2HB   CYS  52          HB3       CYS  52   2.921   1.759   7.251
  365    H    HIS  53           HN       HIS  53   4.483   3.200   4.631
  366    HA   HIS  53           HA       HIS  53   6.863   1.720   5.314
  367   1HB   HIS  53          HB2       HIS  53   5.588   2.874   2.831
  368   2HB   HIS  53          HB3       HIS  53   7.133   2.054   2.753
  369    HD1  HIS  53           HND      HIS  53   7.172  -0.433   2.578
  370    HD2  HIS  53           HD       HIS  53   3.467   1.047   3.860
  371    HE1  HIS  53           HE       HIS  53   5.621  -2.382   2.629
  372    H    LYS  54           H        LYS  54   7.090   4.070   6.669
  373    HA   LYS  54           HA       LYS  54   9.629   5.345   5.865
  374   1HB   LYS  54          HB2       LYS  54   7.012   6.816   6.163
  375   2HB   LYS  54          HB3       LYS  54   8.632   7.448   6.451
  376   1HG   LYS  54          HG2       LYS  54   9.227   6.571   4.105
  377   2HG   LYS  54          HG3       LYS  54   7.466   6.494   3.854
  378   1HD   LYS  54          HD2       LYS  54   7.507   8.893   4.916
  379   2HD   LYS  54          HD3       LYS  54   9.264   8.779   4.660
  380   1HE   LYS  54          HE2       LYS  54   8.890   8.645   2.198
  381   2HE   LYS  54          HE3       LYS  54   7.135   8.516   2.449
  382   1HZ   LYS  54          HZ1       LYS  54   8.757  10.891   3.096
  383   2HZ   LYS  54          HZ2       LYS  54   7.739  10.735   1.810
  384   3HZ   LYS  54          HZ3       LYS  54   7.137  10.738   3.333
  385    H    SER  55           H        SER  55   6.779   5.661   8.021
  386    HA   SER  55           HA       SER  55   8.226   6.012  10.490
  387   1HB   SER  55          HB2       SER  55   5.947   6.754  10.381
  388   2HB   SER  55          HB3       SER  55   5.380   5.192   9.773
  389    HG   SER  55           HG       SER  55   6.448   5.668  12.370
  390    H    ASN  56           H        ASN  56   6.455   3.145   9.191
  391    HA   ASN  56           HA       ASN  56   7.518   1.447  11.382
  392   1HB   ASN  56          HB2       ASN  56   5.594   0.974   9.069
  393   2HB   ASN  56          HB3       ASN  56   6.166  -0.300  10.152
  394   1HD2  ASN  56          HD2       ASN  56   5.553   2.946  11.512
  395   2HD2  ASN  56          HD2       ASN  56   4.108   2.417  12.354
  396    H    ASN  57           H        ASN  57   9.711   1.983  10.651
  397    HA   ASN  57           HA       ASN  57  11.709   1.403   9.862
  398   1HB   ASN  57          HB2       ASN  57  10.958  -1.129   8.502
  399   2HB   ASN  57          HB3       ASN  57  12.283  -0.756   9.584
  400   1HD2  ASN  57          HD2       ASN  57   9.034  -1.877   9.268
  401   2HD2  ASN  57          HD2       ASN  57   8.729  -2.241  10.989
  402    H    GLY  58           H        GLY  58   9.533   0.169   7.282
  403   1HA   GLY  58          HA2       GLY  58   9.086   1.094   5.207
  404   2HA   GLY  58          HA3       GLY  58  10.088   2.469   5.640
  405    HA   PRO  59           HA       PRO  59  13.041  -0.682   3.440
  406   1HB   PRO  59          HB2       PRO  59  11.960  -2.740   2.013
  407   2HB   PRO  59          HB3       PRO  59  12.238  -2.834   3.771
  408   1HG   PRO  59          HG2       PRO  59   9.645  -2.074   2.390
  409   2HG   PRO  59          HG3       PRO  59   9.887  -3.348   3.622
  410   1HD   PRO  59          HD2       PRO  59   9.026  -0.917   4.344
  411   2HD   PRO  59          HD3       PRO  59  10.245  -1.746   5.339
  412    H    THR  60           H        THR  60  12.478   1.627   2.642
  413    HA   THR  60           HA       THR  60  10.796   1.952   0.350
  414    HB   THR  60           HB       THR  60  11.072   3.560   2.185
  415    HG1  THR  60           HG1      THR  60  11.803   4.494  -0.394
  416   1HG2  THR  60          HG2       THR  60  13.787   4.246   0.972
  417   2HG2  THR  60          HG2       THR  60  12.933   5.133   2.241
  418   3HG2  THR  60          HG2       THR  60  13.508   3.491   2.555
  419    H    LYS  61           H        LYS  61  12.965   0.180  -0.284
  420    HA   LYS  61           HA       LYS  61  14.843   1.729  -2.001
  421   1HB   LYS  61          HB2       LYS  61  15.415   0.149  -0.092
  422   2HB   LYS  61          HB3       LYS  61  14.905  -1.169  -1.137
  423   1HG   LYS  61          HG2       LYS  61  16.732  -0.945  -2.553
  424   2HG   LYS  61          HG3       LYS  61  16.947   0.774  -2.249
  425   1HD   LYS  61          HD2       LYS  61  17.466  -1.387  -0.151
  426   2HD   LYS  61          HD3       LYS  61  18.724  -0.845  -1.252
  427   1HE   LYS  61          HE2       LYS  61  17.252   0.988   0.728
  428   2HE   LYS  61          HE3       LYS  61  18.809   0.224   1.022
  429   1HZ   LYS  61          HZ1       LYS  61  18.256   2.130  -1.160
  430   2HZ   LYS  61          HZ2       LYS  61  19.061   2.469   0.230
  431   3HZ   LYS  61          HZ3       LYS  61  19.705   1.417  -0.855
  432    H    CYS  62           HN       CYS  62  12.137   1.171  -2.708
  433    HA   CYS  62           HA       CYS  62  10.773   0.680  -4.467
  434   1HB   CYS  62          HB2       CYS  62  13.090  -0.300  -6.104
  435   2HB   CYS  62          HB3       CYS  62  11.552   0.378  -6.638
  436    H    GLY  63           H        GLY  63  13.281  -1.839  -4.362
  437   1HA   GLY  63          HA2       GLY  63  12.002  -4.131  -5.102
  438   2HA   GLY  63          HA3       GLY  63  13.202  -4.055  -3.820
  439    H    GLY  64           H        GLY  64  11.823  -2.658  -1.844
  440   1HA   GLY  64          HA2       GLY  64  10.409  -4.607  -0.427
  441   2HA   GLY  64          HA3       GLY  64  10.325  -2.869  -0.125
  442    H    CYS  65           HN       CYS  65   9.150  -2.463  -2.926
  443    HA   CYS  65           HA       CYS  65   6.360  -3.491  -2.415
  444   1HB   CYS  65          HB2       CYS  65   7.241  -0.952  -3.790
  445   2HB   CYS  65          HB3       CYS  65   5.582  -1.566  -3.658
  446    H    HIS  66           HN       HIS  66   8.736  -2.625  -4.936
  447    HA   HIS  66           HA       HIS  66   7.162  -3.991  -7.034
  448   1HB   HIS  66          HB2       HIS  66   9.671  -2.282  -7.039
  449   2HB   HIS  66          HB3       HIS  66   8.885  -2.911  -8.472
  450    HD1  HIS  66           HND      HIS  66   6.402  -2.138  -8.941
  451    HD2  HIS  66           HD       HIS  66   8.685   0.095  -6.246
  452    HE1  HIS  66           HE       HIS  66   5.325   0.202  -8.837
  453    H    ILE  67           H        ILE  67   7.474  -6.205  -7.130
  454    HA   ILE  67           HA       ILE  67   9.687  -7.680  -6.241
  455    HB   ILE  67           HB       ILE  67   7.951  -8.294  -8.662
  456   1HG1  ILE  67          HG1       ILE  67   6.481  -7.973  -6.779
  457   2HG1  ILE  67          HG1       ILE  67   6.592  -9.678  -7.159
  458   1HG2  ILE  67          HG2       ILE  67   8.501 -10.683  -8.100
  459   2HG2  ILE  67          HG2       ILE  67   9.877  -9.746  -8.683
  460   3HG2  ILE  67          HG2       ILE  67   9.719 -10.089  -6.952
  461   1HD1  ILE  67          HD1       ILE  67   7.982  -8.251  -4.842
  462   2HD1  ILE  67          HD1       ILE  67   6.599  -9.347  -4.749
  463   3HD1  ILE  67          HD1       ILE  67   8.181  -9.978  -5.232
  464    H    LYS  68           H        LYS  68  11.844  -7.718  -6.788
  465    HA   LYS  68           HA       LYS  68  12.805  -7.376  -9.484
  466   1HB   LYS  68          HB2       LYS  68  12.230  -5.084  -8.730
  467   2HB   LYS  68          HB3       LYS  68  13.149  -5.333  -7.228
  468   1HG   LYS  68          HG2       LYS  68  15.195  -5.721  -8.603
  469   2HG   LYS  68          HG3       LYS  68  14.263  -5.338 -10.056
  470   1HD   LYS  68          HD2       LYS  68  14.919  -3.522  -7.680
  471   2HD   LYS  68          HD3       LYS  68  15.543  -3.378  -9.335
  472   1HE   LYS  68          HE2       LYS  68  13.122  -2.993 -10.100
  473   2HE   LYS  68          HE3       LYS  68  12.659  -2.924  -8.390
  474   1HZ   LYS  68          HZ1       LYS  68  13.032  -0.746  -9.255
  475   2HZ   LYS  68          HZ2       LYS  68  14.168  -1.077  -8.109
  476   3HZ   LYS  68          HZ3       LYS  68  14.572  -1.115  -9.704
  477    HHA  HEC 130           HCM      HEC  30 -10.766  -0.873  -2.956
  478    HHB  HEC 130           HDM      HEC  30 -13.499  -3.401   2.104
  479    HHC  HEC 130           HAM      HEC  30  -7.949  -3.464   4.954
  480    HHD  HEC 130           HBM      HEC  30  -5.610  -0.098   0.352
  481   1HMA  HEC 130          HM8       HEC  30 -15.223  -3.001  -1.177
  482   2HMA  HEC 130          HM8       HEC  30 -14.951  -3.637   0.435
  483   3HMA  HEC 130          HM8       HEC  30 -15.371  -1.920   0.218
  484   1HAA  HEC 130          HP7       HEC  30 -12.798  -1.114  -3.421
  485   2HAA  HEC 130          HP7       HEC  30 -14.362  -1.231  -2.684
  486   1HBA  HEC 130          HP7       HEC  30 -13.398  -2.899  -4.622
  487   2HBA  HEC 130          HP7       HEC  30 -14.729  -3.264  -3.538
  488   1HMB  HEC 130          HM1       HEC  30 -13.469  -5.185   3.962
  489   2HMB  HEC 130          HM1       HEC  30 -13.071  -4.630   5.594
  490   3HMB  HEC 130          HM1       HEC  30 -13.878  -3.531   4.488
  491    HAB  HEC 130           HT2      HEC  30  -9.229  -4.489   6.229
  492   1HBB  HEC 130          HT2       HEC  30  -9.854  -6.572   5.110
  493   2HBB  HEC 130          HT2       HEC  30 -10.309  -6.614   6.828
  494   3HBB  HEC 130          HT2       HEC  30 -11.543  -6.351   5.599
  495   1HMC  HEC 130          HM3       HEC  30  -5.558  -3.945   4.631
  496   2HMC  HEC 130          HM3       HEC  30  -4.323  -2.700   4.511
  497   3HMC  HEC 130          HM3       HEC  30  -5.669  -2.472   5.645
  498    HAC  HEC 130           HT4      HEC  30  -4.568   0.437   2.090
  499   1HBC  HEC 130          HT4       HEC  30  -3.188  -1.340   1.349
  500   2HBC  HEC 130          HT4       HEC  30  -2.361  -0.386   2.599
  501   3HBC  HEC 130          HT4       HEC  30  -2.988  -1.990   2.989
  502   1HMD  HEC 130          HM5       HEC  30  -5.648   1.483  -2.007
  503   2HMD  HEC 130          HM5       HEC  30  -4.975  -0.143  -1.731
  504   3HMD  HEC 130          HM5       HEC  30  -5.702   0.244  -3.285
  505   1HAD  HEC 130          HP6       HEC  30  -7.591   0.715  -4.330
  506   2HAD  HEC 130          HP6       HEC  30  -9.286   0.637  -4.178
  507   1HBD  HEC 130          HP6       HEC  30  -9.151  -1.899  -4.377
  508   2HBD  HEC 130          HP6       HEC  30  -7.419  -1.703  -4.662
  509    HHA  HEC 153           HCM      HEC  53   5.644  -5.074   5.072
  510    HHB  HEC 153           HDM      HEC  53   2.864  -3.994  -0.386
  511    HHC  HEC 153           HAM      HEC  53  -0.371   0.633   2.131
  512    HHD  HEC 153           HBM      HEC  53   2.092  -0.679   7.719
  513   1HMA  HEC 153          HM8       HEC  53   3.587  -6.257  -0.361
  514   2HMA  HEC 153          HM8       HEC  53   5.149  -5.427  -0.648
  515   3HMA  HEC 153          HM8       HEC  53   5.081  -6.959   0.250
  516   1HAA  HEC 153          HP7       HEC  53   6.739  -6.254   3.579
  517   2HAA  HEC 153          HP7       HEC  53   6.616  -6.762   1.910
  518   1HBA  HEC 153          HP7       HEC  53   4.732  -8.233   2.437
  519   2HBA  HEC 153          HP7       HEC  53   4.711  -7.653   4.103
  520   1HMB  HEC 153          HM1       HEC  53   1.577  -1.100  -2.339
  521   2HMB  HEC 153          HM1       HEC  53   2.642  -2.423  -1.941
  522   3HMB  HEC 153          HM1       HEC  53   0.909  -2.751  -2.169
  523    HAB  HEC 153           HT2      HEC  53  -1.356  -0.146   0.237
  524   1HBB  HEC 153          HT2       HEC  53  -1.897   0.137  -1.997
  525   2HBB  HEC 153          HT2       HEC  53  -0.241   0.022  -2.545
  526   3HBB  HEC 153          HT2       HEC  53  -1.068  -1.419  -1.883
  527   1HMC  HEC 153          HM3       HEC  53  -0.837   2.834   4.940
  528   2HMC  HEC 153          HM3       HEC  53  -1.250   2.093   3.401
  529   3HMC  HEC 153          HM3       HEC  53  -2.055   1.552   4.863
  530    HAC  HEC 153           HT4      HEC  53   0.746   0.900   8.107
  531   1HBC  HEC 153          HT4       HEC  53  -1.246   2.028   8.677
  532   2HBC  HEC 153          HT4       HEC  53  -1.786   2.149   7.008
  533   3HBC  HEC 153          HT4       HEC  53  -1.673   0.562   7.797
  534   1HMD  HEC 153          HM5       HEC  53   4.484  -2.773   9.620
  535   2HMD  HEC 153          HM5       HEC  53   4.044  -1.125   9.150
  536   3HMD  HEC 153          HM5       HEC  53   2.785  -2.358   9.380
  537   1HAD  HEC 153          HP6       HEC  53   6.287  -4.969   7.094
  538   2HAD  HEC 153          HP6       HEC  53   5.379  -4.702   8.568
  539   1HBD  HEC 153          HP6       HEC  53   7.600  -3.941   8.877
  540   2HBD  HEC 153          HP6       HEC  53   6.568  -2.519   8.871
  541    HHA  HEC 166           HCM      HEC  66   3.404   2.832 -10.150
  542    HHB  HEC 166           HDM      HEC  66   9.655   2.834 -10.181
  543    HHC  HEC 166           HAM      HEC  66   9.526   3.133  -3.942
  544    HHD  HEC 166           HBM      HEC  66   3.742   0.857  -4.277
  545   1HMA  HEC 166          HM8       HEC  66   8.717   2.304 -12.560
  546   2HMA  HEC 166          HM8       HEC  66   7.587   3.479 -13.236
  547   3HMA  HEC 166          HM8       HEC  66   8.841   4.027 -12.126
  548   1HAA  HEC 166          HP7       HEC  66   5.403   4.255 -12.815
  549   2HAA  HEC 166          HP7       HEC  66   3.979   3.470 -12.136
  550   1HBA  HEC 166          HP7       HEC  66   4.396   1.440 -13.174
  551   2HBA  HEC 166          HP7       HEC  66   6.079   1.800 -13.519
  552   1HMB  HEC 166          HM1       HEC  66  12.673   3.661  -8.127
  553   2HMB  HEC 166          HM1       HEC  66  12.023   2.438  -9.224
  554   3HMB  HEC 166          HM1       HEC  66  11.544   4.144  -9.386
  555    HAB  HEC 166           HT2      HEC  66  11.552   2.933  -4.451
  556   1HBB  HEC 166          HT2       HEC  66  11.654   5.331  -4.964
  557   2HBB  HEC 166          HT2       HEC  66  13.249   4.626  -4.642
  558   3HBB  HEC 166          HT2       HEC  66  12.765   4.999  -6.303
  559   1HMC  HEC 166          HM3       HEC  66   8.533   3.086  -1.625
  560   2HMC  HEC 166          HM3       HEC  66   7.824   1.575  -1.026
  561   3HMC  HEC 166          HM3       HEC  66   9.163   1.504  -2.153
  562    HAC  HEC 166           HT4      HEC  66   4.445   0.260  -2.412
  563   1HBC  HEC 166          HT4       HEC  66   4.271   2.322  -1.118
  564   2HBC  HEC 166          HT4       HEC  66   4.427   0.873  -0.105
  565   3HBC  HEC 166          HT4       HEC  66   5.804   1.960  -0.306
  566   1HMD  HEC 166          HM5       HEC  66   0.614   0.787  -6.244
  567   2HMD  HEC 166          HM5       HEC  66   1.869  -0.227  -5.516
  568   3HMD  HEC 166          HM5       HEC  66   1.417   1.320  -4.761
  569   1HAD  HEC 166          HP6       HEC  66   1.384   2.135  -9.659
  570   2HAD  HEC 166          HP6       HEC  66   0.412   2.107  -8.202
  571   1HBD  HEC 166          HP6       HEC  66   0.089   0.165  -9.555
  572   2HBD  HEC 166          HP6       HEC  66   0.891  -0.377  -8.080
  Start of MODEL   21
    1   1H    ALA   1          H1        ALA   1 -12.195  -6.482  -0.618
    2   2H    ALA   1          H2        ALA   1 -12.800  -6.118  -2.093
    3   3H    ALA   1          H3        ALA   1 -13.085  -7.609  -1.424
    4    HA   ALA   1           HA       ALA   1 -11.408  -7.968  -3.006
    5   1HB   ALA   1          HB1       ALA   1 -10.178  -5.452  -1.820
    6   2HB   ALA   1          HB2       ALA   1  -9.352  -6.503  -2.993
    7   3HB   ALA   1          HB3       ALA   1 -10.845  -5.663  -3.444
    8    H    ASP   2           H        ASP   2  -9.202  -8.912  -2.660
    9    HA   ASP   2           HA       ASP   2  -8.118  -9.298   0.016
   10   1HB   ASP   2          HB2       ASP   2  -9.913 -11.101  -0.332
   11   2HB   ASP   2          HB3       ASP   2  -8.873 -11.757  -1.609
   12    H    VAL   3           H        VAL   3  -5.991 -10.585  -0.494
   13    HA   VAL   3           HA       VAL   3  -4.076  -9.174  -1.391
   14    HB   VAL   3           HB       VAL   3  -4.184 -12.023  -2.405
   15   1HG1  VAL   3          HG1       VAL   3  -1.838 -10.189  -1.716
   16   2HG1  VAL   3          HG1       VAL   3  -1.712 -11.907  -2.133
   17   3HG1  VAL   3          HG1       VAL   3  -2.258 -10.754  -3.349
   18   1HG2  VAL   3          HG2       VAL   3  -4.631 -12.049  -0.016
   19   2HG2  VAL   3          HG2       VAL   3  -2.946 -12.483  -0.243
   20   3HG2  VAL   3          HG2       VAL   3  -3.360 -10.843   0.290
   21    H    VAL   4           H        VAL   4  -4.255  -7.510  -2.804
   22    HA   VAL   4           HA       VAL   4  -5.017  -8.063  -5.621
   23    HB   VAL   4           HB       VAL   4  -4.814  -5.409  -4.168
   24   1HG1  VAL   4          HG1       VAL   4  -6.197  -4.601  -6.022
   25   2HG1  VAL   4          HG1       VAL   4  -4.697  -5.294  -6.662
   26   3HG1  VAL   4          HG1       VAL   4  -6.208  -6.216  -6.756
   27   1HG2  VAL   4          HG2       VAL   4  -7.247  -7.164  -4.624
   28   2HG2  VAL   4          HG2       VAL   4  -6.534  -6.716  -3.052
   29   3HG2  VAL   4          HG2       VAL   4  -7.276  -5.479  -4.067
   30    H    THR   5           H        THR   5  -3.270  -8.567  -6.857
   31    HA   THR   5           HA       THR   5  -0.671  -7.189  -6.463
   32    HB   THR   5           HB       THR   5  -1.564  -9.725  -7.750
   33    HG1  THR   5           HG1      THR   5   0.815  -9.077  -6.344
   34   1HG2  THR   5          HG2       THR   5   0.973  -8.255  -8.560
   35   2HG2  THR   5          HG2       THR   5   0.681 -10.001  -8.771
   36   3HG2  THR   5          HG2       THR   5  -0.341  -8.841  -9.613
   37    H    TYR   6           H        TYR   6  -0.034  -5.512  -7.550
   38    HA   TYR   6           HA       TYR   6  -1.464  -4.585  -9.981
   39   1HB   TYR   6          HB2       TYR   6   0.125  -3.343  -7.781
   40   2HB   TYR   6          HB3       TYR   6   0.228  -2.589  -9.346
   41    HD1  TYR   6           HD1      TYR   6  -2.492  -4.150  -7.236
   42    HD2  TYR   6           HD2      TYR   6  -1.296  -0.821  -9.692
   43    HE1  TYR   6           HE1      TYR   6  -4.550  -2.916  -6.586
   44    HE2  TYR   6           HE2      TYR   6  -3.374   0.387  -9.067
   45    HH   TYR   6           HH       TYR   6  -5.782  -1.045  -6.856
   46    H    GLU   7           H        GLU   7  -0.659  -5.823 -11.613
   47    HA   GLU   7           HA       GLU   7   2.122  -6.399 -11.979
   48   1HB   GLU   7          HB2       GLU   7  -0.256  -6.806 -13.814
   49   2HB   GLU   7          HB3       GLU   7   1.328  -7.589 -13.943
   50   1HG   GLU   7          HG2       GLU   7   0.948  -8.522 -11.668
   51   2HG   GLU   7          HG3       GLU   7  -0.695  -7.842 -11.640
   52    H    ASN   8           H        ASN   8   2.885  -4.144 -11.889
   53    HA   ASN   8           HA       ASN   8   2.450  -2.503 -14.331
   54   1HB   ASN   8          HB2       ASN   8   3.300  -0.687 -13.029
   55   2HB   ASN   8          HB3       ASN   8   2.084  -1.521 -12.094
   56   1HD2  ASN   8          HD2       ASN   8   2.847  -2.950 -10.257
   57   2HD2  ASN   8          HD2       ASN   8   4.521  -2.791  -9.721
   58    H    ALA   9           H        ALA   9   4.400  -1.194 -15.047
   59    HA   ALA   9           HA       ALA   9   6.249  -3.151 -16.112
   60   1HB   ALA   9          HB1       ALA   9   6.326  -0.125 -16.292
   61   2HB   ALA   9          HB2       ALA   9   7.168  -1.282 -17.346
   62   3HB   ALA   9          HB3       ALA   9   5.391  -1.195 -17.365
   63    H    ALA  10           H        ALA  10   6.407  -1.246 -13.196
   64    HA   ALA  10           HA       ALA  10   9.391  -1.184 -13.224
   65   1HB   ALA  10          HB1       ALA  10   9.152   0.305 -11.312
   66   2HB   ALA  10          HB2       ALA  10   8.182   0.861 -12.689
   67   3HB   ALA  10          HB3       ALA  10   7.393   0.066 -11.315
   68    H    GLY  11           H        GLY  11   7.314  -3.562 -12.574
   69   1HA   GLY  11          HA2       GLY  11   8.110  -5.591 -11.364
   70   2HA   GLY  11          HA3       GLY  11   8.767  -4.567 -10.119
   71    H    ASN  12           H        ASN  12   6.417  -6.690 -10.260
   72    HA   ASN  12           HA       ASN  12   4.079  -5.054  -9.607
   73   1HB   ASN  12          HB2       ASN  12   2.900  -7.060  -9.214
   74   2HB   ASN  12          HB3       ASN  12   3.736  -7.147 -10.757
   75   1HD2  ASN  12          HD2       ASN  12   2.815  -9.437  -9.099
   76   2HD2  ASN  12          HD2       ASN  12   4.286 -10.348  -8.796
   77    H    VAL  13           H        VAL  13   2.935  -5.418  -7.562
   78    HA   VAL  13           HA       VAL  13   4.922  -4.917  -5.414
   79    HB   VAL  13           HB       VAL  13   4.487  -2.898  -6.455
   80   1HG1  VAL  13          HG1       VAL  13   2.212  -1.954  -6.716
   81   2HG1  VAL  13          HG1       VAL  13   2.435  -3.400  -7.692
   82   3HG1  VAL  13          HG1       VAL  13   1.535  -3.502  -6.149
   83   1HG2  VAL  13          HG2       VAL  13   2.640  -2.937  -4.047
   84   2HG2  VAL  13          HG2       VAL  13   4.411  -2.945  -3.931
   85   3HG2  VAL  13          HG2       VAL  13   3.577  -1.567  -4.680
   86    H    THR  14           H        THR  14   1.637  -6.117  -5.831
   87    HA   THR  14           HA       THR  14   0.232  -7.135  -4.384
   88    HB   THR  14           HB       THR  14   2.867  -7.809  -3.112
   89    HG1  THR  14           HG1      THR  14   0.876  -9.435  -4.253
   90   1HG2  THR  14          HG2       THR  14   1.367  -7.956  -1.200
   91   2HG2  THR  14          HG2       THR  14   0.097  -8.707  -2.191
   92   3HG2  THR  14          HG2       THR  14   1.608  -9.574  -1.847
   93    H    PHE  15           H        PHE  15  -1.131  -5.646  -3.853
   94    HA   PHE  15           HA       PHE  15  -0.905  -4.131  -1.281
   95   1HB   PHE  15          HB2       PHE  15  -3.078  -4.394  -3.389
   96   2HB   PHE  15          HB3       PHE  15  -3.247  -3.500  -1.886
   97    HD1  PHE  15           HD1      PHE  15  -0.193  -3.226  -4.089
   98    HD2  PHE  15           HD2      PHE  15  -4.112  -1.708  -3.124
   99    HE1  PHE  15           HE1      PHE  15  -0.031  -1.594  -5.913
  100    HE2  PHE  15           HE2      PHE  15  -3.895  -0.037  -4.912
  101    HZ   PHE  15           HZ       PHE  15  -1.846   0.034  -6.308
  102    H    ASP  16           H        ASP  16  -1.183  -5.714   0.461
  103    HA   ASP  16           HA       ASP  16  -2.975  -7.962  -0.015
  104   1HB   ASP  16          HB2       ASP  16  -1.824  -7.087   2.590
  105   2HB   ASP  16          HB3       ASP  16  -2.413  -8.698   2.104
  106    H    HIS  17           HN       HIS  17  -5.190  -7.580  -0.097
  107    HA   HIS  17           HA       HIS  17  -6.382  -5.523   1.622
  108   1HB   HIS  17          HB2       HIS  17  -7.305  -7.194  -0.583
  109   2HB   HIS  17          HB3       HIS  17  -8.437  -7.217   0.789
  110    HD1  HIS  17           HND      HIS  17  -6.962  -4.790  -1.785
  111    HD2  HIS  17           HD       HIS  17  -9.256  -4.840   1.725
  112    HE1  HIS  17           HE       HIS  17  -7.497  -2.420  -1.286
  113    H    LYS  18           H        LYS  18  -6.038  -9.074   1.764
  114    HA   LYS  18           HA       LYS  18  -7.195  -9.197   4.402
  115   1HB   LYS  18          HB2       LYS  18  -7.381 -11.036   2.970
  116   2HB   LYS  18          HB3       LYS  18  -5.624 -11.177   2.753
  117   1HG   LYS  18          HG2       LYS  18  -5.363 -11.914   5.066
  118   2HG   LYS  18          HG3       LYS  18  -7.086 -11.606   5.400
  119   1HD   LYS  18          HD2       LYS  18  -7.758 -13.347   3.800
  120   2HD   LYS  18          HD3       LYS  18  -6.121 -13.464   3.179
  121   1HE   LYS  18          HE2       LYS  18  -6.488 -15.389   4.573
  122   2HE   LYS  18          HE3       LYS  18  -5.295 -14.340   5.354
  123   1HZ   LYS  18          HZ1       LYS  18  -6.880 -15.107   6.949
  124   2HZ   LYS  18          HZ2       LYS  18  -7.049 -13.523   6.802
  125   3HZ   LYS  18          HZ3       LYS  18  -8.160 -14.498   6.093
  126    H    ALA  19           H        ALA  19  -3.787  -9.973   3.378
  127    HA   ALA  19           HA       ALA  19  -2.959 -10.485   5.957
  128   1HB   ALA  19          HB1       ALA  19  -1.113  -9.574   3.730
  129   2HB   ALA  19          HB2       ALA  19  -0.723 -10.592   5.120
  130   3HB   ALA  19          HB3       ALA  19  -1.817 -11.204   3.864
  131    H    HIS  20           HN       HIS  20  -2.538  -7.372   4.250
  132    HA   HIS  20           HA       HIS  20  -1.077  -6.088   6.342
  133   1HB   HIS  20          HB2       HIS  20  -2.691  -5.115   4.002
  134   2HB   HIS  20          HB3       HIS  20  -2.370  -3.986   5.277
  135    HD1  HIS  20           HND      HIS  20  -0.169  -6.145   2.804
  136    HD2  HIS  20           HD       HIS  20  -0.235  -2.571   5.063
  137    HE1  HIS  20           HE       HIS  20   1.714  -4.805   2.023
  138    H    ALA  21           H        ALA  21  -4.583  -6.459   5.689
  139    HA   ALA  21           HA       ALA  21  -5.499  -4.813   7.868
  140   1HB   ALA  21          HB1       ALA  21  -6.835  -5.385   5.853
  141   2HB   ALA  21          HB2       ALA  21  -6.992  -7.047   6.439
  142   3HB   ALA  21          HB3       ALA  21  -7.653  -5.726   7.404
  143    H    GLU  22           H        GLU  22  -4.742  -8.323   7.600
  144    HA   GLU  22           HA       GLU  22  -5.886  -9.080  10.059
  145   1HB   GLU  22          HB2       GLU  22  -3.406 -10.236   8.745
  146   2HB   GLU  22          HB3       GLU  22  -4.402 -10.997   9.993
  147   1HG   GLU  22          HG2       GLU  22  -6.309 -10.281   8.133
  148   2HG   GLU  22          HG3       GLU  22  -4.922 -10.541   7.084
  149    H    LYS  23           H        LYS  23  -2.942  -7.242   9.561
  150    HA   LYS  23           HA       LYS  23  -2.540  -6.989  12.500
  151   1HB   LYS  23          HB2       LYS  23  -1.056  -5.905  10.070
  152   2HB   LYS  23          HB3       LYS  23  -0.749  -5.432  11.741
  153   1HG   LYS  23          HG2       LYS  23  -0.376  -7.898  12.288
  154   2HG   LYS  23          HG3       LYS  23  -0.524  -8.227  10.561
  155   1HD   LYS  23          HD2       LYS  23   1.808  -8.138  11.102
  156   2HD   LYS  23          HD3       LYS  23   1.438  -6.710  10.124
  157   1HE   LYS  23          HE2       LYS  23   1.474  -5.268  12.093
  158   2HE   LYS  23          HE3       LYS  23   1.513  -6.662  13.185
  159   1HZ   LYS  23          HZ1       LYS  23   3.738  -7.173  12.273
  160   2HZ   LYS  23          HZ2       LYS  23   3.682  -5.860  11.324
  161   3HZ   LYS  23          HZ3       LYS  23   3.703  -5.662  12.919
  162    H    LEU  24           H        LEU  24  -3.309  -4.897   9.690
  163    HA   LEU  24           HA       LEU  24  -3.558  -2.554  11.391
  164   1HB   LEU  24          HB2       LEU  24  -3.885  -2.944   8.405
  165   2HB   LEU  24          HB3       LEU  24  -3.713  -1.400   9.232
  166    HG   LEU  24           HG       LEU  24  -1.546  -3.532   9.261
  167   1HD1  LEU  24          HD1       LEU  24  -0.417  -2.095   7.632
  168   2HD1  LEU  24          HD1       LEU  24  -1.974  -2.653   7.000
  169   3HD1  LEU  24          HD1       LEU  24  -1.817  -0.997   7.602
  170   1HD2  LEU  24          HD2       LEU  24  -0.130  -1.628  10.010
  171   2HD2  LEU  24          HD2       LEU  24  -1.576  -0.607  10.133
  172   3HD2  LEU  24          HD2       LEU  24  -1.380  -2.021  11.194
  173    H    GLY  25           H        GLY  25  -5.951  -4.770  10.464
  174   1HA   GLY  25          HA2       GLY  25  -8.187  -4.812  10.829
  175   2HA   GLY  25          HA3       GLY  25  -7.887  -3.497  11.962
  176    H    CYS  26           HN       CYS  26  -7.622  -3.403   8.450
  177    HA   CYS  26           HA       CYS  26  -8.585  -2.233   6.770
  178   1HB   CYS  26          HB2       CYS  26 -11.058  -2.097   8.453
  179   2HB   CYS  26          HB3       CYS  26 -10.931  -1.871   6.700
  180    H    ASP  27           H        ASP  27  -9.883  -0.707   9.726
  181    HA   ASP  27           HA       ASP  27 -10.428   1.788   8.868
  182   1HB   ASP  27          HB2       ASP  27  -9.391   0.837  11.574
  183   2HB   ASP  27          HB3       ASP  27 -10.160   2.406  11.286
  184    H    ALA  28           H        ALA  28  -7.307   0.607   9.998
  185    HA   ALA  28           HA       ALA  28  -5.626   2.792  10.033
  186   1HB   ALA  28          HB1       ALA  28  -3.924   1.103   9.166
  187   2HB   ALA  28          HB2       ALA  28  -4.914   0.547  10.533
  188   3HB   ALA  28          HB3       ALA  28  -5.319   0.016   8.880
  189    H    CYS  29           HN       CYS  29  -7.081   1.371   7.103
  190    HA   CYS  29           HA       CYS  29  -5.584   3.321   5.357
  191   1HB   CYS  29          HB2       CYS  29  -6.871   0.650   4.767
  192   2HB   CYS  29          HB3       CYS  29  -6.160   1.758   3.577
  193    H    HIS  30           HN       HIS  30  -8.484   3.013   6.934
  194    HA   HIS  30           HA       HIS  30 -10.161   4.218   4.815
  195   1HB   HIS  30          HB2       HIS  30 -10.503   1.454   6.066
  196   2HB   HIS  30          HB3       HIS  30 -11.798   2.313   5.258
  197    HD1  HIS  30           HND      HIS  30 -10.643   3.142   2.583
  198    HD2  HIS  30           HD       HIS  30  -9.728  -0.448   4.497
  199    HE1  HIS  30           HE       HIS  30 -10.168   1.395   0.716
  200    H    GLU  31           H        GLU  31 -10.066   6.003   6.204
  201    HA   GLU  31           HA       GLU  31 -11.199   5.896   8.773
  202   1HB   GLU  31          HB2       GLU  31 -10.796   8.124   6.750
  203   2HB   GLU  31          HB3       GLU  31 -11.455   8.443   8.358
  204   1HG   GLU  31          HG2       GLU  31  -8.764   7.046   7.953
  205   2HG   GLU  31          HG3       GLU  31  -8.946   8.795   8.132
  206    H    GLY  32           H        GLY  32 -13.003   4.479   8.278
  207   1HA   GLY  32          HA2       GLY  32 -15.375   4.299   8.402
  208   2HA   GLY  32          HA3       GLY  32 -15.558   5.912   7.697
  209    H    THR  33           H        THR  33 -17.102   4.846   6.284
  210    HA   THR  33           HA       THR  33 -17.510   2.988   4.697
  211    HB   THR  33           HB       THR  33 -17.186   5.764   3.552
  212    HG1  THR  33           HG1      THR  33 -19.603   5.203   4.429
  213   1HG2  THR  33          HG2       THR  33 -17.837   4.083   1.824
  214   2HG2  THR  33          HG2       THR  33 -19.123   3.480   2.893
  215   3HG2  THR  33          HG2       THR  33 -19.198   5.131   2.237
  216    HA   PRO  34           HA       PRO  34 -13.314   2.380   2.950
  217   1HB   PRO  34          HB2       PRO  34 -13.281  -0.328   2.759
  218   2HB   PRO  34          HB3       PRO  34 -13.044   0.527   4.301
  219   1HG   PRO  34          HG2       PRO  34 -15.639  -0.641   3.256
  220   2HG   PRO  34          HG3       PRO  34 -14.896  -0.890   4.869
  221   1HD   PRO  34          HD2       PRO  34 -16.819   0.938   4.484
  222   2HD   PRO  34          HD3       PRO  34 -15.421   1.340   5.528
  223    H    ALA  35           H        ALA  35 -12.818   2.564   0.834
  224    HA   ALA  35           HA       ALA  35 -14.394   1.317  -1.308
  225   1HB   ALA  35          HB1       ALA  35 -15.039   3.498  -2.277
  226   2HB   ALA  35          HB2       ALA  35 -15.724   3.307  -0.658
  227   3HB   ALA  35          HB3       ALA  35 -14.299   4.338  -0.895
  228    H    LYS  36           H        LYS  36 -13.491   2.532  -3.511
  229    HA   LYS  36           HA       LYS  36 -10.716   1.778  -3.485
  230   1HB   LYS  36          HB2       LYS  36 -12.521   2.795  -5.697
  231   2HB   LYS  36          HB3       LYS  36 -10.793   2.467  -5.926
  232   1HG   LYS  36          HG2       LYS  36 -11.108   0.172  -5.037
  233   2HG   LYS  36          HG3       LYS  36 -12.863   0.468  -4.958
  234   1HD   LYS  36          HD2       LYS  36 -13.012   0.548  -7.373
  235   2HD   LYS  36          HD3       LYS  36 -11.265   0.756  -7.538
  236   1HE   LYS  36          HE2       LYS  36 -11.909  -1.565  -8.133
  237   2HE   LYS  36          HE3       LYS  36 -10.801  -1.495  -6.764
  238   1HZ   LYS  36          HZ1       LYS  36 -12.835  -1.623  -5.342
  239   2HZ   LYS  36          HZ2       LYS  36 -13.692  -2.069  -6.661
  240   3HZ   LYS  36          HZ3       LYS  36 -12.486  -2.990  -6.022
  241    H    ILE  37           H        ILE  37  -9.107   2.950  -2.810
  242    HA   ILE  37           HA       ILE  37  -9.320   5.779  -2.397
  243    HB   ILE  37           HB       ILE  37  -6.930   3.919  -2.036
  244   1HG1  ILE  37          HG1       ILE  37  -9.256   4.563  -0.186
  245   2HG1  ILE  37          HG1       ILE  37  -8.795   2.982  -0.821
  246   1HG2  ILE  37          HG2       ILE  37  -6.239   6.277  -1.883
  247   2HG2  ILE  37          HG2       ILE  37  -7.554   6.605  -0.731
  248   3HG2  ILE  37          HG2       ILE  37  -6.187   5.555  -0.303
  249   1HD1  ILE  37          HD1       ILE  37  -6.595   3.207   0.450
  250   2HD1  ILE  37          HD1       ILE  37  -7.361   4.564   1.314
  251   3HD1  ILE  37          HD1       ILE  37  -8.065   2.951   1.400
  252    H    ALA  38           H        ALA  38  -8.394   4.127  -5.018
  253    HA   ALA  38           HA       ALA  38  -7.345   4.460  -6.973
  254   1HB   ALA  38          HB1       ALA  38  -8.904   6.265  -7.052
  255   2HB   ALA  38          HB2       ALA  38  -7.664   7.397  -6.429
  256   3HB   ALA  38          HB3       ALA  38  -7.401   6.548  -7.982
  257    H    ILE  39           H        ILE  39  -5.541   3.580  -6.773
  258    HA   ILE  39           HA       ILE  39  -3.091   5.021  -5.878
  259    HB   ILE  39           HB       ILE  39  -3.646   2.054  -6.128
  260   1HG1  ILE  39          HG1       ILE  39  -5.019   3.038  -4.334
  261   2HG1  ILE  39          HG1       ILE  39  -3.762   1.978  -3.753
  262   1HG2  ILE  39          HG2       ILE  39  -1.251   3.632  -5.134
  263   2HG2  ILE  39          HG2       ILE  39  -1.512   1.934  -4.711
  264   3HG2  ILE  39          HG2       ILE  39  -1.301   2.393  -6.408
  265   1HD1  ILE  39          HD1       ILE  39  -3.975   3.941  -2.315
  266   2HD1  ILE  39          HD1       ILE  39  -2.379   3.923  -3.083
  267   3HD1  ILE  39          HD1       ILE  39  -3.653   5.021  -3.676
  268    H    ASP  40           H        ASP  40  -1.661   5.600  -7.368
  269    HA   ASP  40           HA       ASP  40  -1.098   3.894  -9.674
  270   1HB   ASP  40          HB2       ASP  40  -1.370   5.636 -11.286
  271   2HB   ASP  40          HB3       ASP  40  -2.861   5.574 -10.376
  272    H    LYS  41           H        LYS  41   0.774   4.687 -10.788
  273    HA   LYS  41           HA       LYS  41   3.102   5.386  -9.914
  274   1HB   LYS  41          HB2       LYS  41   3.568   6.491 -12.030
  275   2HB   LYS  41          HB3       LYS  41   2.570   5.032 -12.139
  276   1HG   LYS  41          HG2       LYS  41   0.620   6.973 -12.004
  277   2HG   LYS  41          HG3       LYS  41   1.874   7.837 -12.873
  278   1HD   LYS  41          HD2       LYS  41   0.741   5.072 -13.634
  279   2HD   LYS  41          HD3       LYS  41   0.174   6.611 -14.270
  280   1HE   LYS  41          HE2       LYS  41   1.590   5.782 -15.958
  281   2HE   LYS  41          HE3       LYS  41   2.509   7.061 -15.154
  282   1HZ   LYS  41          HZ1       LYS  41   3.594   5.229 -13.878
  283   2HZ   LYS  41          HZ2       LYS  41   2.897   4.103 -14.834
  284   3HZ   LYS  41          HZ3       LYS  41   3.900   5.145 -15.487
  285    H    LYS  42           H        LYS  42   0.528   7.759  -9.386
  286    HA   LYS  42           HA       LYS  42   2.564   9.788  -8.560
  287   1HB   LYS  42          HB2       LYS  42   1.119  10.561 -10.274
  288   2HB   LYS  42          HB3       LYS  42  -0.323   9.995  -9.460
  289   1HG   LYS  42          HG2       LYS  42   1.453  11.965  -8.013
  290   2HG   LYS  42          HG3       LYS  42   0.584  12.562  -9.409
  291   1HD   LYS  42          HD2       LYS  42  -0.627  11.392  -6.860
  292   2HD   LYS  42          HD3       LYS  42  -0.724  13.047  -7.442
  293   1HE   LYS  42          HE2       LYS  42  -2.195  10.580  -8.428
  294   2HE   LYS  42          HE3       LYS  42  -2.846  12.116  -7.869
  295   1HZ   LYS  42          HZ1       LYS  42  -3.004  11.931 -10.245
  296   2HZ   LYS  42          HZ2       LYS  42  -1.931  13.133  -9.893
  297   3HZ   LYS  42          HZ3       LYS  42  -1.397  11.652 -10.395
  298    H    SER  43           H        SER  43  -0.659   8.470  -7.520
  299    HA   SER  43           HA       SER  43  -0.606   9.464  -4.848
  300   1HB   SER  43          HB2       SER  43  -1.731   6.832  -5.849
  301   2HB   SER  43          HB3       SER  43  -2.154   7.619  -4.324
  302    HG   SER  43           HG       SER  43  -3.674   7.991  -6.041
  303    H    ALA  44           H        ALA  44   0.653   6.343  -6.119
  304    HA   ALA  44           HA       ALA  44   1.415   5.283  -3.589
  305   1HB   ALA  44          HB1       ALA  44   2.490   4.614  -6.354
  306   2HB   ALA  44          HB2       ALA  44   2.578   3.613  -4.894
  307   3HB   ALA  44          HB3       ALA  44   1.005   3.951  -5.643
  308    H    HIS  45           HN       HIS  45   2.932   7.849  -5.306
  309    HA   HIS  45           HA       HIS  45   5.382   7.427  -3.658
  310   1HB   HIS  45          HB2       HIS  45   5.447   8.700  -6.384
  311   2HB   HIS  45          HB3       HIS  45   6.816   8.174  -5.410
  312    HD1  HIS  45           HND      HIS  45   4.211   7.011  -7.821
  313    HD2  HIS  45           HD       HIS  45   7.211   5.341  -5.394
  314    HE1  HIS  45           HE       HIS  45   4.391   4.587  -8.457
  315    H    LYS  46           H        LYS  46   2.728   9.195  -3.628
  316    HA   LYS  46           HA       LYS  46   4.213  11.638  -2.662
  317   1HB   LYS  46          HB2       LYS  46   1.298  11.168  -3.361
  318   2HB   LYS  46          HB3       LYS  46   1.813  12.435  -2.227
  319   1HG   LYS  46          HG2       LYS  46   3.352  13.346  -3.934
  320   2HG   LYS  46          HG3       LYS  46   2.729  12.171  -5.110
  321   1HD   LYS  46          HD2       LYS  46   0.506  13.081  -4.994
  322   2HD   LYS  46          HD3       LYS  46   0.860  14.058  -3.574
  323   1HE   LYS  46          HE2       LYS  46   2.178  14.498  -6.299
  324   2HE   LYS  46          HE3       LYS  46   0.717  15.338  -5.757
  325   1HZ   LYS  46          HZ1       LYS  46   1.962  16.220  -3.898
  326   2HZ   LYS  46          HZ2       LYS  46   3.335  15.478  -4.405
  327   3HZ   LYS  46          HZ3       LYS  46   2.656  16.662  -5.318
  328    H    ASP  47           H        ASP  47   1.241  10.341  -1.395
  329    HA   ASP  47           HA       ASP  47   2.560   9.907   1.239
  330   1HB   ASP  47          HB2       ASP  47   0.972  11.823   0.974
  331   2HB   ASP  47          HB3       ASP  47  -0.324  10.665   0.598
  332    H    ALA  48           H        ALA  48  -0.006   8.613  -0.937
  333    HA   ALA  48           HA       ALA  48  -0.865   6.530   0.697
  334   1HB   ALA  48          HB1       ALA  48  -2.007   7.299  -1.366
  335   2HB   ALA  48          HB2       ALA  48  -0.743   6.509  -2.340
  336   3HB   ALA  48          HB3       ALA  48  -1.808   5.537  -1.306
  337    H    CYS  49           HN       CYS  49  -0.294   4.460   1.047
  338    HA   CYS  49           HA       CYS  49   1.066   2.727   1.505
  339   1HB   CYS  49          HB2       CYS  49   2.746   3.352  -0.917
  340   2HB   CYS  49          HB3       CYS  49   2.663   1.844  -0.030
  341    H    LYS  50           H        LYS  50   3.190   5.233   0.206
  342    HA   LYS  50           HA       LYS  50   5.431   4.623   1.716
  343   1HB   LYS  50          HB2       LYS  50   4.549   7.305   0.604
  344   2HB   LYS  50          HB3       LYS  50   6.135   6.935   1.302
  345   1HG   LYS  50          HG2       LYS  50   6.131   4.916  -0.416
  346   2HG   LYS  50          HG3       LYS  50   4.926   5.896  -1.250
  347   1HD   LYS  50          HD2       LYS  50   7.806   6.657  -0.516
  348   2HD   LYS  50          HD3       LYS  50   7.132   6.380  -2.133
  349   1HE   LYS  50          HE2       LYS  50   5.498   8.307  -1.584
  350   2HE   LYS  50          HE3       LYS  50   6.516   8.707  -0.216
  351   1HZ   LYS  50          HZ1       LYS  50   7.666   8.469  -2.906
  352   2HZ   LYS  50          HZ2       LYS  50   6.918   9.833  -2.457
  353   3HZ   LYS  50          HZ3       LYS  50   8.263   9.312  -1.620
  354    H    THR  51           H        THR  51   3.109   7.282   2.623
  355    HA   THR  51           HA       THR  51   4.695   8.084   4.804
  356    HB   THR  51           HB       THR  51   1.771   8.530   4.209
  357    HG1  THR  51           HG1      THR  51   2.624  10.500   3.629
  358   1HG2  THR  51          HG2       THR  51   1.904  10.399   5.849
  359   2HG2  THR  51          HG2       THR  51   1.983   8.827   6.650
  360   3HG2  THR  51          HG2       THR  51   3.468   9.782   6.420
  361    H    CYS  52           HN       CYS  52   2.364   5.439   4.790
  362    HA   CYS  52           HA       CYS  52   2.600   4.985   7.686
  363   1HB   CYS  52          HB2       CYS  52   0.718   4.121   6.438
  364   2HB   CYS  52          HB3       CYS  52   1.808   3.105   5.466
  365    H    HIS  53           HN       HIS  53   4.009   3.397   4.785
  366    HA   HIS  53           HA       HIS  53   5.820   1.662   5.942
  367   1HB   HIS  53          HB2       HIS  53   5.658   3.139   3.363
  368   2HB   HIS  53          HB3       HIS  53   7.190   2.373   3.757
  369    HD1  HIS  53           HND      HIS  53   7.332  -0.060   3.041
  370    HD2  HIS  53           HD       HIS  53   3.429   1.257   3.930
  371    HE1  HIS  53           HE       HIS  53   5.743  -2.083   2.802
  372    H    LYS  54           H        LYS  54   6.396   5.096   5.344
  373    HA   LYS  54           HA       LYS  54   9.044   5.632   6.057
  374   1HB   LYS  54          HB2       LYS  54   6.589   7.220   6.622
  375   2HB   LYS  54          HB3       LYS  54   8.282   7.715   6.837
  376   1HG   LYS  54          HG2       LYS  54   8.685   7.041   4.403
  377   2HG   LYS  54          HG3       LYS  54   6.923   7.046   4.240
  378   1HD   LYS  54          HD2       LYS  54   7.095   9.309   5.542
  379   2HD   LYS  54          HD3       LYS  54   8.810   9.204   5.082
  380   1HE   LYS  54          HE2       LYS  54   8.202   9.332   2.694
  381   2HE   LYS  54          HE3       LYS  54   6.493   9.024   3.057
  382   1HZ   LYS  54          HZ1       LYS  54   6.848  11.339   2.588
  383   2HZ   LYS  54          HZ2       LYS  54   6.334  11.131   4.127
  384   3HZ   LYS  54          HZ3       LYS  54   7.918  11.477   3.834
  385    H    SER  55           H        SER  55   6.299   4.858   8.317
  386    HA   SER  55           HA       SER  55   7.744   6.009  10.571
  387   1HB   SER  55          HB2       SER  55   5.750   5.530  11.838
  388   2HB   SER  55          HB3       SER  55   5.317   6.293  10.300
  389    HG   SER  55           HG       SER  55   4.743   4.227   9.513
  390    H    ASN  56           H        ASN  56   8.888   3.629   9.225
  391    HA   ASN  56           HA       ASN  56  10.400   2.098   9.890
  392   1HB   ASN  56          HB2       ASN  56   9.284   2.160  12.704
  393   2HB   ASN  56          HB3       ASN  56  10.808   1.475  12.158
  394   1HD2  ASN  56          HD2       ASN  56   9.104   4.411  12.944
  395   2HD2  ASN  56          HD2       ASN  56  10.540   5.461  12.932
  396    H    ASN  57           H        ASN  57   8.858   0.996   8.377
  397    HA   ASN  57           HA       ASN  57   7.403  -1.300   9.656
  398   1HB   ASN  57          HB2       ASN  57   7.252  -0.152   6.847
  399   2HB   ASN  57          HB3       ASN  57   6.361  -1.560   7.441
  400   1HD2  ASN  57          HD2       ASN  57   6.917   1.924   8.234
  401   2HD2  ASN  57          HD2       ASN  57   5.255   2.217   8.687
  402    H    GLY  58           H        GLY  58   9.595  -0.690   6.879
  403   1HA   GLY  58          HA2       GLY  58  11.586  -2.450   7.346
  404   2HA   GLY  58          HA3       GLY  58  10.361  -3.545   6.705
  405    HA   PRO  59           HA       PRO  59  11.630  -2.334   2.617
  406   1HB   PRO  59          HB2       PRO  59   9.354  -2.402   1.115
  407   2HB   PRO  59          HB3       PRO  59  10.171  -3.862   1.745
  408   1HG   PRO  59          HG2       PRO  59   7.870  -2.362   2.980
  409   2HG   PRO  59          HG3       PRO  59   7.961  -4.120   2.671
  410   1HD   PRO  59          HD2       PRO  59   8.486  -3.075   5.116
  411   2HD   PRO  59          HD3       PRO  59   9.512  -4.392   4.477
  412    H    THR  60           H        THR  60  12.367  -0.379   2.609
  413    HA   THR  60           HA       THR  60  10.636   2.002   2.113
  414    HB   THR  60           HB       THR  60  11.425   1.978   4.432
  415    HG1  THR  60           HG1      THR  60  12.779   3.817   2.761
  416   1HG2  THR  60          HG2       THR  60  13.805   2.221   4.979
  417   2HG2  THR  60          HG2       THR  60  13.508   0.650   4.229
  418   3HG2  THR  60          HG2       THR  60  14.267   1.955   3.294
  419    H    LYS  61           H        LYS  61  11.876   0.322   0.107
  420    HA   LYS  61           HA       LYS  61  13.370   2.381  -1.361
  421   1HB   LYS  61          HB2       LYS  61  15.145   0.840  -2.046
  422   2HB   LYS  61          HB3       LYS  61  15.186   1.120  -0.300
  423   1HG   LYS  61          HG2       LYS  61  14.042  -1.036   0.096
  424   2HG   LYS  61          HG3       LYS  61  13.985  -1.357  -1.637
  425   1HD   LYS  61          HD2       LYS  61  16.559  -0.983  -0.047
  426   2HD   LYS  61          HD3       LYS  61  15.786  -2.543  -0.371
  427   1HE   LYS  61          HE2       LYS  61  15.951  -2.054  -2.856
  428   2HE   LYS  61          HE3       LYS  61  16.917  -0.621  -2.461
  429   1HZ   LYS  61          HZ1       LYS  61  17.609  -3.415  -1.787
  430   2HZ   LYS  61          HZ2       LYS  61  18.305  -2.512  -2.967
  431   3HZ   LYS  61          HZ3       LYS  61  18.511  -2.098  -1.390
  432    H    CYS  62           HN       CYS  62  13.343   1.921  -3.711
  433    HA   CYS  62           HA       CYS  62  10.889   1.192  -4.704
  434   1HB   CYS  62          HB2       CYS  62  13.403   0.621  -6.265
  435   2HB   CYS  62          HB3       CYS  62  11.824   1.122  -6.870
  436    H    GLY  63           H        GLY  63  13.721  -0.962  -4.804
  437   1HA   GLY  63          HA2       GLY  63  12.423  -3.321  -5.658
  438   2HA   GLY  63          HA3       GLY  63  13.987  -3.221  -4.867
  439    H    GLY  64           H        GLY  64  12.022  -1.843  -2.593
  440   1HA   GLY  64          HA2       GLY  64  11.640  -4.363  -1.063
  441   2HA   GLY  64          HA3       GLY  64  11.527  -2.698  -0.479
  442    H    CYS  65           HN       CYS  65   9.927  -1.980  -3.012
  443    HA   CYS  65           HA       CYS  65   7.281  -2.949  -1.988
  444   1HB   CYS  65          HB2       CYS  65   7.895  -0.516  -1.856
  445   2HB   CYS  65          HB3       CYS  65   7.769  -0.475  -3.627
  446    H    HIS  66           HN       HIS  66   9.001  -2.077  -5.007
  447    HA   HIS  66           HA       HIS  66   7.283  -3.825  -6.687
  448   1HB   HIS  66          HB2       HIS  66   9.815  -2.222  -7.267
  449   2HB   HIS  66          HB3       HIS  66   8.831  -3.064  -8.429
  450    HD1  HIS  66           HND      HIS  66   6.686  -2.015  -9.259
  451    HD2  HIS  66           HD       HIS  66   8.660   0.154  -6.269
  452    HE1  HIS  66           HE       HIS  66   5.622   0.279  -9.234
  453    H    ILE  67           H        ILE  67   7.893  -5.975  -7.195
  454    HA   ILE  67           HA       ILE  67  10.187  -7.233  -6.030
  455    HB   ILE  67           HB       ILE  67   8.762  -7.995  -8.606
  456   1HG1  ILE  67          HG1       ILE  67   7.089  -7.961  -6.912
  457   2HG1  ILE  67          HG1       ILE  67   7.520  -9.628  -7.223
  458   1HG2  ILE  67          HG2       ILE  67  10.592  -9.586  -6.762
  459   2HG2  ILE  67          HG2       ILE  67   9.601 -10.292  -8.054
  460   3HG2  ILE  67          HG2       ILE  67  10.885  -9.154  -8.455
  461   1HD1  ILE  67          HD1       ILE  67   8.938  -9.615  -5.137
  462   2HD1  ILE  67          HD1       ILE  67   8.383  -7.952  -4.819
  463   3HD1  ILE  67          HD1       ILE  67   7.224  -9.286  -4.839
  464    H    LYS  68           H        LYS  68  12.322  -6.829  -6.358
  465    HA   LYS  68           HA       LYS  68  13.529  -7.045  -8.876
  466   1HB   LYS  68          HB2       LYS  68  12.950  -4.306  -7.881
  467   2HB   LYS  68          HB3       LYS  68  14.684  -4.596  -8.089
  468   1HG   LYS  68          HG2       LYS  68  14.208  -5.524 -10.377
  469   2HG   LYS  68          HG3       LYS  68  12.542  -4.952 -10.208
  470   1HD   LYS  68          HD2       LYS  68  15.084  -3.249 -10.078
  471   2HD   LYS  68          HD3       LYS  68  14.006  -3.385 -11.479
  472   1HE   LYS  68          HE2       LYS  68  12.116  -2.479 -10.073
  473   2HE   LYS  68          HE3       LYS  68  13.257  -2.236  -8.738
  474   1HZ   LYS  68          HZ1       LYS  68  14.510  -0.753 -10.149
  475   2HZ   LYS  68          HZ2       LYS  68  13.448  -0.967 -11.387
  476   3HZ   LYS  68          HZ3       LYS  68  12.955  -0.230 -10.002
  477    HHA  HEC 130           HCM      HEC  30 -10.368  -0.555  -2.774
  478    HHB  HEC 130           HDM      HEC  30 -13.326  -2.873   2.266
  479    HHC  HEC 130           HAM      HEC  30  -7.670  -3.676   4.786
  480    HHD  HEC 130           HBM      HEC  30  -5.594   0.695   0.956
  481   1HMA  HEC 130          HM8       HEC  30 -14.857  -3.066  -0.210
  482   2HMA  HEC 130          HM8       HEC  30 -14.886  -1.774   1.018
  483   3HMA  HEC 130          HM8       HEC  30 -15.109  -1.359  -0.666
  484   1HAA  HEC 130          HP7       HEC  30 -12.255  -1.284  -3.430
  485   2HAA  HEC 130          HP7       HEC  30 -13.600  -0.396  -2.696
  486   1HBA  HEC 130          HP7       HEC  30 -14.468  -2.088  -4.097
  487   2HBA  HEC 130          HP7       HEC  30 -14.823  -2.607  -2.474
  488   1HMB  HEC 130          HM1       HEC  30 -13.309  -4.888   3.837
  489   2HMB  HEC 130          HM1       HEC  30 -12.804  -4.695   5.518
  490   3HMB  HEC 130          HM1       HEC  30 -13.617  -3.361   4.705
  491    HAB  HEC 130           HT2      HEC  30  -8.974  -4.509   6.142
  492   1HBB  HEC 130          HT2       HEC  30 -11.208  -6.425   5.425
  493   2HBB  HEC 130          HT2       HEC  30  -9.534  -6.516   4.841
  494   3HBB  HEC 130          HT2       HEC  30  -9.887  -6.714   6.567
  495   1HMC  HEC 130          HM3       HEC  30  -4.992  -3.715   4.630
  496   2HMC  HEC 130          HM3       HEC  30  -4.302  -2.156   5.113
  497   3HMC  HEC 130          HM3       HEC  30  -5.833  -2.657   5.807
  498    HAC  HEC 130           HT4      HEC  30  -4.304   0.742   2.544
  499   1HBC  HEC 130          HT4       HEC  30  -2.934  -1.795   3.446
  500   2HBC  HEC 130          HT4       HEC  30  -2.952  -1.031   1.843
  501   3HBC  HEC 130          HT4       HEC  30  -2.170  -0.215   3.213
  502   1HMD  HEC 130          HM5       HEC  30  -5.358   0.880  -2.678
  503   2HMD  HEC 130          HM5       HEC  30  -5.375   2.124  -1.404
  504   3HMD  HEC 130          HM5       HEC  30  -4.766   0.482  -1.073
  505   1HAD  HEC 130          HP6       HEC  30  -7.240   1.438  -3.803
  506   2HAD  HEC 130          HP6       HEC  30  -8.877   0.871  -3.979
  507   1HBD  HEC 130          HP6       HEC  30  -6.414  -0.880  -4.056
  508   2HBD  HEC 130          HP6       HEC  30  -7.345  -0.323  -5.445
  509    HHA  HEC 153           HCM      HEC  53   4.979  -5.470   4.663
  510    HHB  HEC 153           HDM      HEC  53   3.510  -2.969  -0.850
  511    HHC  HEC 153           HAM      HEC  53  -0.180   1.128   2.047
  512    HHD  HEC 153           HBM      HEC  53   2.015  -0.763   7.524
  513   1HMA  HEC 153          HM8       HEC  53   5.731  -5.987  -0.445
  514   2HMA  HEC 153          HM8       HEC  53   4.154  -5.455  -1.022
  515   3HMA  HEC 153          HM8       HEC  53   5.556  -4.370  -1.141
  516   1HAA  HEC 153          HP7       HEC  53   6.597  -6.060   3.234
  517   2HAA  HEC 153          HP7       HEC  53   6.872  -6.133   1.508
  518   1HBA  HEC 153          HP7       HEC  53   5.037  -7.769   1.270
  519   2HBA  HEC 153          HP7       HEC  53   4.738  -7.685   3.012
  520   1HMB  HEC 153          HM1       HEC  53   1.688  -0.212  -2.591
  521   2HMB  HEC 153          HM1       HEC  53   2.959  -1.380  -2.306
  522   3HMB  HEC 153          HM1       HEC  53   1.274  -1.939  -2.452
  523    HAB  HEC 153           HT2      HEC  53  -0.725   1.319   0.095
  524   1HBB  HEC 153          HT2       HEC  53  -1.820   0.876  -1.923
  525   2HBB  HEC 153          HT2       HEC  53  -0.552  -0.197  -2.500
  526   3HBB  HEC 153          HT2       HEC  53  -1.556  -0.686  -1.126
  527   1HMC  HEC 153          HM3       HEC  53  -1.885   1.940   4.993
  528   2HMC  HEC 153          HM3       HEC  53  -0.582   3.116   4.728
  529   3HMC  HEC 153          HM3       HEC  53  -1.308   2.251   3.386
  530    HAC  HEC 153           HT4      HEC  53   0.240   0.415   7.953
  531   1HBC  HEC 153          HT4       HEC  53  -1.140   2.910   6.956
  532   2HBC  HEC 153          HT4       HEC  53  -1.916   1.327   7.187
  533   3HBC  HEC 153          HT4       HEC  53  -1.181   2.174   8.546
  534   1HMD  HEC 153          HM5       HEC  53   3.021  -1.874   9.131
  535   2HMD  HEC 153          HM5       HEC  53   2.073  -3.368   8.998
  536   3HMD  HEC 153          HM5       HEC  53   3.807  -3.417   9.358
  537   1HAD  HEC 153          HP6       HEC  53   4.619  -6.144   6.722
  538   2HAD  HEC 153          HP6       HEC  53   3.659  -5.614   8.077
  539   1HBD  HEC 153          HP6       HEC  53   5.900  -4.030   8.391
  540   2HBD  HEC 153          HP6       HEC  53   6.592  -5.482   7.677
  541    HHA  HEC 166           HCM      HEC  66   3.357   2.383 -10.421
  542    HHB  HEC 166           HDM      HEC  66   9.442   3.748 -10.367
  543    HHC  HEC 166           HAM      HEC  66   9.514   3.190  -4.164
  544    HHD  HEC 166           HBM      HEC  66   3.734   0.980  -4.351
  545   1HMA  HEC 166          HM8       HEC  66   8.819   3.212 -12.587
  546   2HMA  HEC 166          HM8       HEC  66   7.376   3.668 -13.485
  547   3HMA  HEC 166          HM8       HEC  66   8.171   4.864 -12.446
  548   1HAA  HEC 166          HP7       HEC  66   5.135   3.865 -13.281
  549   2HAA  HEC 166          HP7       HEC  66   3.804   3.116 -12.399
  550   1HBA  HEC 166          HP7       HEC  66   4.861   0.904 -12.744
  551   2HBA  HEC 166          HP7       HEC  66   6.110   1.661 -13.731
  552   1HMB  HEC 166          HM1       HEC  66  12.552   4.160  -8.358
  553   2HMB  HEC 166          HM1       HEC  66  11.700   3.385  -9.687
  554   3HMB  HEC 166          HM1       HEC  66  11.398   5.099  -9.313
  555    HAB  HEC 166           HT2      HEC  66  11.439   3.729  -4.636
  556   1HBB  HEC 166          HT2       HEC  66  12.885   5.607  -5.001
  557   2HBB  HEC 166          HT2       HEC  66  12.410   5.719  -6.700
  558   3HBB  HEC 166          HT2       HEC  66  11.220   6.050  -5.431
  559   1HMC  HEC 166          HM3       HEC  66   7.462   2.910  -1.166
  560   2HMC  HEC 166          HM3       HEC  66   8.676   1.733  -1.722
  561   3HMC  HEC 166          HM3       HEC  66   8.774   3.449  -2.162
  562    HAC  HEC 166           HT4      HEC  66   4.264   1.060  -2.255
  563   1HBC  HEC 166          HT4       HEC  66   5.456   2.179  -0.453
  564   2HBC  HEC 166          HT4       HEC  66   5.045   0.501  -0.097
  565   3HBC  HEC 166          HT4       HEC  66   6.710   0.898  -0.488
  566   1HMD  HEC 166          HM5       HEC  66   1.710  -0.147  -5.335
  567   2HMD  HEC 166          HM5       HEC  66   1.435   1.546  -4.910
  568   3HMD  HEC 166          HM5       HEC  66   0.542   0.836  -6.243
  569   1HAD  HEC 166          HP6       HEC  66   0.579   2.070  -8.821
  570   2HAD  HEC 166          HP6       HEC  66   0.732   0.388  -8.365
  571   1HBD  HEC 166          HP6       HEC  66   0.735  -0.110 -10.450
  572   2HBD  HEC 166          HP6       HEC  66   2.420   0.332 -10.441
  Start of MODEL   22
    1   1H    ALA   1          H1        ALA   1 -11.205  -9.029  -1.252
    2   2H    ALA   1          H2        ALA   1 -12.045  -9.809  -2.434
    3   3H    ALA   1          H3        ALA   1 -10.917 -10.604  -1.511
    4    HA   ALA   1           HA       ALA   1 -10.269  -9.977  -3.853
    5   1HB   ALA   1          HB1       ALA   1  -9.919  -7.264  -2.505
    6   2HB   ALA   1          HB2       ALA   1  -9.431  -7.715  -4.151
    7   3HB   ALA   1          HB3       ALA   1 -11.146  -7.660  -3.725
    8    H    ASP   2           H        ASP   2  -8.953  -8.754  -0.736
    9    HA   ASP   2           HA       ASP   2  -7.519  -9.671   0.638
   10   1HB   ASP   2          HB2       ASP   2  -7.817 -12.094  -1.178
   11   2HB   ASP   2          HB3       ASP   2  -7.111 -12.098   0.433
   12    H    VAL   3           H        VAL   3  -6.236 -10.555  -2.585
   13    HA   VAL   3           HA       VAL   3  -3.638  -9.264  -1.854
   14    HB   VAL   3           HB       VAL   3  -3.895 -11.978  -3.245
   15   1HG1  VAL   3          HG1       VAL   3  -1.447 -10.437  -2.295
   16   2HG1  VAL   3          HG1       VAL   3  -1.435 -12.029  -3.073
   17   3HG1  VAL   3          HG1       VAL   3  -1.924 -10.607  -3.999
   18   1HG2  VAL   3          HG2       VAL   3  -2.913 -11.297  -0.436
   19   2HG2  VAL   3          HG2       VAL   3  -4.338 -12.279  -0.848
   20   3HG2  VAL   3          HG2       VAL   3  -2.720 -12.873  -1.229
   21    H    VAL   4           H        VAL   4  -4.324  -7.451  -2.962
   22    HA   VAL   4           HA       VAL   4  -5.142  -7.788  -5.783
   23    HB   VAL   4           HB       VAL   4  -4.744  -5.203  -4.308
   24   1HG1  VAL   4          HG1       VAL   4  -6.486  -6.015  -6.685
   25   2HG1  VAL   4          HG1       VAL   4  -6.315  -4.381  -6.024
   26   3HG1  VAL   4          HG1       VAL   4  -4.935  -5.175  -6.823
   27   1HG2  VAL   4          HG2       VAL   4  -7.115  -5.102  -3.887
   28   2HG2  VAL   4          HG2       VAL   4  -7.309  -6.777  -4.467
   29   3HG2  VAL   4          HG2       VAL   4  -6.377  -6.443  -2.989
   30    H    THR   5           H        THR   5  -3.250  -8.745  -6.591
   31    HA   THR   5           HA       THR   5  -0.694  -7.349  -6.592
   32    HB   THR   5           HB       THR   5  -1.741  -9.841  -7.890
   33    HG1  THR   5           HG1      THR   5   0.592  -9.241  -6.390
   34   1HG2  THR   5          HG2       THR   5   0.911  -8.477  -8.517
   35   2HG2  THR   5          HG2       THR   5   0.568 -10.199  -8.789
   36   3HG2  THR   5          HG2       THR   5  -0.347  -8.983  -9.679
   37    H    TYR   6           H        TYR   6  -0.590  -5.399  -7.380
   38    HA   TYR   6           HA       TYR   6  -1.682  -4.643 -10.022
   39   1HB   TYR   6          HB2       TYR   6  -0.150  -3.368  -7.805
   40   2HB   TYR   6          HB3       TYR   6   0.061  -2.673  -9.382
   41    HD1  TYR   6           HD1      TYR   6  -3.085  -4.233  -8.004
   42    HD2  TYR   6           HD2      TYR   6  -1.096  -0.538  -8.990
   43    HE1  TYR   6           HE1      TYR   6  -5.033  -2.930  -7.178
   44    HE2  TYR   6           HE2      TYR   6  -3.085   0.730  -8.223
   45    HH   TYR   6           HH       TYR   6  -5.355   0.571  -7.215
   46    H    GLU   7           H        GLU   7  -0.729  -5.637 -11.688
   47    HA   GLU   7           HA       GLU   7   2.110  -6.179 -11.765
   48   1HB   GLU   7          HB2       GLU   7   0.016  -6.630 -13.922
   49   2HB   GLU   7          HB3       GLU   7   1.623  -7.371 -13.791
   50   1HG   GLU   7          HG2       GLU   7   0.722  -8.161 -11.469
   51   2HG   GLU   7          HG3       GLU   7  -0.881  -7.847 -12.114
   52    H    ASN   8           H        ASN   8   3.674  -4.907 -12.555
   53    HA   ASN   8           HA       ASN   8   3.016  -2.705 -14.432
   54   1HB   ASN   8          HB2       ASN   8   4.664  -1.853 -12.116
   55   2HB   ASN   8          HB3       ASN   8   3.340  -1.024 -12.941
   56   1HD2  ASN   8          HD2       ASN   8   4.262  -3.083 -10.219
   57   2HD2  ASN   8          HD2       ASN   8   2.617  -3.355  -9.680
   58    H    ALA   9           H        ALA   9   4.863  -1.853 -15.510
   59    HA   ALA   9           HA       ALA   9   6.898  -3.644 -16.196
   60   1HB   ALA   9          HB1       ALA   9   6.212  -1.708 -17.543
   61   2HB   ALA   9          HB2       ALA   9   6.904  -0.601 -16.337
   62   3HB   ALA   9          HB3       ALA   9   7.964  -1.693 -17.258
   63    H    ALA  10           H        ALA  10   6.800  -1.469 -13.459
   64    HA   ALA  10           HA       ALA  10   9.641  -1.552 -12.838
   65   1HB   ALA  10          HB1       ALA  10   8.943  -0.392 -10.793
   66   2HB   ALA  10          HB2       ALA  10   8.151   0.310 -12.219
   67   3HB   ALA  10          HB3       ALA  10   7.240  -0.767 -11.139
   68    H    GLY  11           H        GLY  11   7.232  -3.943 -12.526
   69   1HA   GLY  11          HA2       GLY  11   7.873  -6.130 -11.450
   70   2HA   GLY  11          HA3       GLY  11   8.442  -5.185 -10.074
   71    H    ASN  12           H        ASN  12   6.140  -7.161 -10.285
   72    HA   ASN  12           HA       ASN  12   3.804  -5.448  -9.965
   73   1HB   ASN  12          HB2       ASN  12   3.806  -8.250  -8.913
   74   2HB   ASN  12          HB3       ASN  12   2.493  -7.176  -9.479
   75   1HD2  ASN  12          HD2       ASN  12   2.548  -9.780 -10.317
   76   2HD2  ASN  12          HD2       ASN  12   2.648  -9.666 -12.056
   77    H    VAL  13           H        VAL  13   2.654  -5.248  -7.901
   78    HA   VAL  13           HA       VAL  13   4.672  -4.936  -5.702
   79    HB   VAL  13           HB       VAL  13   4.278  -2.904  -6.806
   80   1HG1  VAL  13          HG1       VAL  13   1.343  -3.324  -6.150
   81   2HG1  VAL  13          HG1       VAL  13   2.039  -1.826  -6.820
   82   3HG1  VAL  13          HG1       VAL  13   2.071  -3.293  -7.773
   83   1HG2  VAL  13          HG2       VAL  13   3.751  -1.539  -4.929
   84   2HG2  VAL  13          HG2       VAL  13   2.690  -2.794  -4.248
   85   3HG2  VAL  13          HG2       VAL  13   4.453  -3.022  -4.249
   86    H    THR  14           H        THR  14   1.399  -6.143  -6.100
   87    HA   THR  14           HA       THR  14   0.124  -7.330  -4.622
   88    HB   THR  14           HB       THR  14   2.886  -7.870  -3.566
   89    HG1  THR  14           HG1      THR  14   1.086  -9.676  -4.698
   90   1HG2  THR  14          HG2       THR  14   1.788  -9.867  -2.453
   91   2HG2  THR  14          HG2       THR  14   1.547  -8.329  -1.630
   92   3HG2  THR  14          HG2       THR  14   0.236  -9.014  -2.611
   93    H    PHE  15           H        PHE  15  -1.279  -5.883  -3.945
   94    HA   PHE  15           HA       PHE  15  -0.868  -4.490  -1.333
   95   1HB   PHE  15          HB2       PHE  15  -3.045  -4.531  -3.405
   96   2HB   PHE  15          HB3       PHE  15  -3.229  -3.724  -1.864
   97    HD1  PHE  15           HD1      PHE  15  -3.021  -1.445  -1.969
   98    HD2  PHE  15           HD2      PHE  15  -0.842  -3.846  -4.809
   99    HE1  PHE  15           HE1      PHE  15  -2.854   0.467  -3.494
  100    HE2  PHE  15           HE2      PHE  15  -0.491  -1.844  -6.214
  101    HZ   PHE  15           HZ       PHE  15  -1.709   0.217  -5.703
  102    H    ASP  16           H        ASP  16  -0.901  -6.123   0.270
  103    HA   ASP  16           HA       ASP  16  -2.746  -8.307   0.119
  104   1HB   ASP  16          HB2       ASP  16  -1.304  -7.716   2.657
  105   2HB   ASP  16          HB3       ASP  16  -1.529  -9.237   1.770
  106    H    HIS  17           HN       HIS  17  -4.640  -6.947  -0.112
  107    HA   HIS  17           HA       HIS  17  -5.982  -5.440   1.813
  108   1HB   HIS  17          HB2       HIS  17  -6.755  -7.201  -0.452
  109   2HB   HIS  17          HB3       HIS  17  -7.981  -7.128   0.821
  110    HD1  HIS  17           HND      HIS  17  -6.062  -4.761  -1.511
  111    HD2  HIS  17           HD       HIS  17  -9.000  -4.796   1.463
  112    HE1  HIS  17           HE       HIS  17  -6.715  -2.355  -1.143
  113    H    LYS  18           H        LYS  18  -5.461  -8.933   1.851
  114    HA   LYS  18           HA       LYS  18  -6.822  -9.189   4.440
  115   1HB   LYS  18          HB2       LYS  18  -6.629 -10.918   2.437
  116   2HB   LYS  18          HB3       LYS  18  -5.140 -11.393   3.263
  117   1HG   LYS  18          HG2       LYS  18  -6.527 -11.552   5.398
  118   2HG   LYS  18          HG3       LYS  18  -7.971 -11.245   4.386
  119   1HD   LYS  18          HD2       LYS  18  -7.277 -13.236   2.958
  120   2HD   LYS  18          HD3       LYS  18  -6.057 -13.614   4.191
  121   1HE   LYS  18          HE2       LYS  18  -9.099 -13.552   4.483
  122   2HE   LYS  18          HE3       LYS  18  -8.036 -14.963   4.594
  123   1HZ   LYS  18          HZ1       LYS  18  -8.174 -12.715   6.505
  124   2HZ   LYS  18          HZ2       LYS  18  -8.563 -14.284   6.813
  125   3HZ   LYS  18          HZ3       LYS  18  -7.002 -13.798   6.570
  126    H    ALA  19           H        ALA  19  -3.387  -9.878   3.362
  127    HA   ALA  19           HA       ALA  19  -2.616 -10.453   5.989
  128   1HB   ALA  19          HB1       ALA  19  -0.674  -9.504   3.875
  129   2HB   ALA  19          HB2       ALA  19  -0.394 -10.612   5.214
  130   3HB   ALA  19          HB3       ALA  19  -1.419 -11.127   3.857
  131    H    HIS  20           HN       HIS  20  -2.347  -7.288   4.280
  132    HA   HIS  20           HA       HIS  20  -0.856  -6.019   6.426
  133   1HB   HIS  20          HB2       HIS  20  -2.539  -4.988   4.122
  134   2HB   HIS  20          HB3       HIS  20  -2.110  -3.950   5.459
  135    HD1  HIS  20           HND      HIS  20  -0.192  -5.847   2.598
  136    HD2  HIS  20           HD       HIS  20   0.112  -2.664   5.379
  137    HE1  HIS  20           HE       HIS  20   1.706  -4.468   1.889
  138    H    ALA  21           H        ALA  21  -4.339  -6.364   5.635
  139    HA   ALA  21           HA       ALA  21  -5.369  -4.847   7.810
  140   1HB   ALA  21          HB1       ALA  21  -7.467  -5.909   7.336
  141   2HB   ALA  21          HB2       ALA  21  -6.647  -5.501   5.807
  142   3HB   ALA  21          HB3       ALA  21  -6.692  -7.181   6.382
  143    H    GLU  22           H        GLU  22  -4.518  -8.343   7.642
  144    HA   GLU  22           HA       GLU  22  -5.638  -9.062  10.122
  145   1HB   GLU  22          HB2       GLU  22  -3.295 -10.184   8.566
  146   2HB   GLU  22          HB3       GLU  22  -3.865 -10.890  10.084
  147   1HG   GLU  22          HG2       GLU  22  -6.112 -11.087   9.080
  148   2HG   GLU  22          HG3       GLU  22  -5.504 -10.467   7.544
  149    H    LYS  23           H        LYS  23  -2.801  -7.053   9.606
  150    HA   LYS  23           HA       LYS  23  -2.480  -6.840  12.576
  151   1HB   LYS  23          HB2       LYS  23  -0.865  -5.857  10.195
  152   2HB   LYS  23          HB3       LYS  23  -0.777  -5.091  11.777
  153   1HG   LYS  23          HG2       LYS  23  -0.277  -7.407  12.756
  154   2HG   LYS  23          HG3       LYS  23  -0.044  -7.954  11.080
  155   1HD   LYS  23          HD2       LYS  23   1.717  -6.181  10.783
  156   2HD   LYS  23          HD3       LYS  23   1.376  -5.578  12.401
  157   1HE   LYS  23          HE2       LYS  23   3.302  -6.810  12.742
  158   2HE   LYS  23          HE3       LYS  23   2.031  -7.919  13.288
  159   1HZ   LYS  23          HZ1       LYS  23   3.493  -7.888  10.722
  160   2HZ   LYS  23          HZ2       LYS  23   3.603  -9.067  11.848
  161   3HZ   LYS  23          HZ3       LYS  23   2.240  -8.861  10.919
  162    H    LEU  24           H        LEU  24  -3.106  -4.799   9.707
  163    HA   LEU  24           HA       LEU  24  -3.454  -2.458  11.347
  164   1HB   LEU  24          HB2       LEU  24  -3.799  -2.885   8.361
  165   2HB   LEU  24          HB3       LEU  24  -3.636  -1.335   9.184
  166    HG   LEU  24           HG       LEU  24  -1.462  -3.451   9.026
  167   1HD1  LEU  24          HD1       LEU  24  -1.740  -0.681   7.791
  168   2HD1  LEU  24          HD1       LEU  24  -0.359  -1.785   7.604
  169   3HD1  LEU  24          HD1       LEU  24  -1.942  -2.210   6.922
  170   1HD2  LEU  24          HD2       LEU  24  -1.222  -2.268  11.150
  171   2HD2  LEU  24          HD2       LEU  24  -0.031  -1.643  10.005
  172   3HD2  LEU  24          HD2       LEU  24  -1.496  -0.702  10.349
  173    H    GLY  25           H        GLY  25  -5.855  -4.677  10.288
  174   1HA   GLY  25          HA2       GLY  25  -8.126  -4.673  10.513
  175   2HA   GLY  25          HA3       GLY  25  -7.846  -3.470  11.770
  176    H    CYS  26           HN       CYS  26  -7.534  -3.291   8.265
  177    HA   CYS  26           HA       CYS  26  -8.361  -2.027   6.599
  178   1HB   CYS  26          HB2       CYS  26 -10.915  -1.887   8.147
  179   2HB   CYS  26          HB3       CYS  26 -10.682  -1.760   6.397
  180    H    ASP  27           H        ASP  27  -9.817  -0.480   9.490
  181    HA   ASP  27           HA       ASP  27 -10.271   2.049   8.608
  182   1HB   ASP  27          HB2       ASP  27  -9.363   1.007  11.329
  183   2HB   ASP  27          HB3       ASP  27  -9.989   2.641  11.054
  184    H    ALA  28           H        ALA  28  -7.241   0.780   9.885
  185    HA   ALA  28           HA       ALA  28  -5.460   2.880   9.958
  186   1HB   ALA  28          HB1       ALA  28  -3.802   1.133   9.149
  187   2HB   ALA  28          HB2       ALA  28  -4.870   0.592  10.458
  188   3HB   ALA  28          HB3       ALA  28  -5.212   0.100   8.773
  189    H    CYS  29           HN       CYS  29  -6.926   1.567   7.025
  190    HA   CYS  29           HA       CYS  29  -5.283   3.358   5.272
  191   1HB   CYS  29          HB2       CYS  29  -5.137   0.671   5.381
  192   2HB   CYS  29          HB3       CYS  29  -6.538   0.820   4.323
  193    H    HIS  30           HN       HIS  30  -8.215   3.144   6.690
  194    HA   HIS  30           HA       HIS  30  -9.791   4.286   4.505
  195   1HB   HIS  30          HB2       HIS  30 -10.359   1.540   5.752
  196   2HB   HIS  30          HB3       HIS  30 -11.511   2.519   4.873
  197    HD1  HIS  30           HND      HIS  30 -10.352   3.163   2.240
  198    HD2  HIS  30           HD       HIS  30  -9.398  -0.355   4.272
  199    HE1  HIS  30           HE       HIS  30  -9.776   1.392   0.434
  200    H    GLU  31           H        GLU  31  -9.315   5.907   6.189
  201    HA   GLU  31           HA       GLU  31 -10.639   5.706   8.621
  202   1HB   GLU  31          HB2       GLU  31  -9.573   8.003   6.987
  203   2HB   GLU  31          HB3       GLU  31 -10.219   8.248   8.628
  204   1HG   GLU  31          HG2       GLU  31  -8.571   6.586   9.514
  205   2HG   GLU  31          HG3       GLU  31  -7.845   6.461   7.904
  206    H    GLY  32           H        GLY  32 -12.757   4.940   7.930
  207   1HA   GLY  32          HA2       GLY  32 -14.852   6.180   8.795
  208   2HA   GLY  32          HA3       GLY  32 -14.722   7.161   7.332
  209    H    THR  33           H        THR  33 -14.122   5.389   5.365
  210    HA   THR  33           HA       THR  33 -15.989   3.131   5.515
  211    HB   THR  33           HB       THR  33 -17.038   3.662   3.332
  212    HG1  THR  33           HG1      THR  33 -15.814   6.186   3.719
  213   1HG2  THR  33          HG2       THR  33 -18.622   5.324   4.091
  214   2HG2  THR  33          HG2       THR  33 -18.225   4.252   5.449
  215   3HG2  THR  33          HG2       THR  33 -17.525   5.884   5.361
  216    HA   PRO  34           HA       PRO  34 -12.694   1.537   2.877
  217   1HB   PRO  34          HB2       PRO  34 -13.723  -0.872   2.267
  218   2HB   PRO  34          HB3       PRO  34 -13.103  -0.492   3.905
  219   1HG   PRO  34          HG2       PRO  34 -15.959  -0.562   2.903
  220   2HG   PRO  34          HG3       PRO  34 -15.303  -1.186   4.449
  221   1HD   PRO  34          HD2       PRO  34 -16.561   1.262   4.169
  222   2HD   PRO  34          HD3       PRO  34 -15.312   0.912   5.405
  223    H    ALA  35           H        ALA  35 -12.411   2.297   0.828
  224    HA   ALA  35           HA       ALA  35 -14.329   1.728  -1.309
  225   1HB   ALA  35          HB1       ALA  35 -15.322   3.732  -0.228
  226   2HB   ALA  35          HB2       ALA  35 -13.778   4.591  -0.397
  227   3HB   ALA  35          HB3       ALA  35 -14.702   4.122  -1.841
  228    H    LYS  36           H        LYS  36 -13.513   2.783  -3.420
  229    HA   LYS  36           HA       LYS  36 -10.794   1.962  -3.645
  230   1HB   LYS  36          HB2       LYS  36 -10.986   1.992  -5.931
  231   2HB   LYS  36          HB3       LYS  36 -12.526   1.448  -5.282
  232   1HG   LYS  36          HG2       LYS  36 -13.375   2.900  -6.788
  233   2HG   LYS  36          HG3       LYS  36 -13.085   4.080  -5.495
  234   1HD   LYS  36          HD2       LYS  36 -10.664   4.265  -6.614
  235   2HD   LYS  36          HD3       LYS  36 -11.409   3.492  -7.996
  236   1HE   LYS  36          HE2       LYS  36 -12.257   6.121  -6.660
  237   2HE   LYS  36          HE3       LYS  36 -11.376   5.973  -8.186
  238   1HZ   LYS  36          HZ1       LYS  36 -14.114   4.993  -7.702
  239   2HZ   LYS  36          HZ2       LYS  36 -13.714   6.330  -8.571
  240   3HZ   LYS  36          HZ3       LYS  36 -13.287   4.836  -9.115
  241    H    ILE  37           H        ILE  37  -9.152   3.149  -3.017
  242    HA   ILE  37           HA       ILE  37  -9.266   5.997  -2.800
  243    HB   ILE  37           HB       ILE  37  -6.805   4.259  -2.366
  244   1HG1  ILE  37          HG1       ILE  37  -9.169   4.719  -0.506
  245   2HG1  ILE  37          HG1       ILE  37  -8.561   3.175  -1.113
  246   1HG2  ILE  37          HG2       ILE  37  -6.180   5.975  -0.701
  247   2HG2  ILE  37          HG2       ILE  37  -6.374   6.693  -2.279
  248   3HG2  ILE  37          HG2       ILE  37  -7.663   6.880  -1.071
  249   1HD1  ILE  37          HD1       ILE  37  -7.822   3.245   1.096
  250   2HD1  ILE  37          HD1       ILE  37  -6.388   3.643   0.151
  251   3HD1  ILE  37          HD1       ILE  37  -7.288   4.925   0.991
  252    H    ALA  38           H        ALA  38  -8.299   4.061  -5.297
  253    HA   ALA  38           HA       ALA  38  -7.404   4.310  -7.298
  254   1HB   ALA  38          HB1       ALA  38  -7.746   7.271  -6.988
  255   2HB   ALA  38          HB2       ALA  38  -7.528   6.286  -8.469
  256   3HB   ALA  38          HB3       ALA  38  -8.989   6.067  -7.453
  257    H    ILE  39           H        ILE  39  -5.566   3.457  -7.082
  258    HA   ILE  39           HA       ILE  39  -3.179   5.076  -6.334
  259    HB   ILE  39           HB       ILE  39  -3.596   2.092  -6.326
  260   1HG1  ILE  39          HG1       ILE  39  -5.006   3.231  -4.656
  261   2HG1  ILE  39          HG1       ILE  39  -3.732   2.287  -3.947
  262   1HG2  ILE  39          HG2       ILE  39  -1.256   3.871  -5.600
  263   2HG2  ILE  39          HG2       ILE  39  -1.455   2.276  -4.869
  264   3HG2  ILE  39          HG2       ILE  39  -1.279   2.416  -6.628
  265   1HD1  ILE  39          HD1       ILE  39  -3.855   5.304  -4.138
  266   2HD1  ILE  39          HD1       ILE  39  -3.932   4.302  -2.690
  267   3HD1  ILE  39          HD1       ILE  39  -2.407   4.415  -3.581
  268    H    ASP  40           H        ASP  40  -1.626   5.558  -7.613
  269    HA   ASP  40           HA       ASP  40  -0.819   4.085  -9.966
  270   1HB   ASP  40          HB2       ASP  40  -2.809   5.376 -10.757
  271   2HB   ASP  40          HB3       ASP  40  -2.087   6.877 -10.165
  272    H    LYS  41           H        LYS  41   0.801   6.242 -10.989
  273    HA   LYS  41           HA       LYS  41   2.898   6.047  -9.001
  274   1HB   LYS  41          HB2       LYS  41   4.137   7.567 -10.830
  275   2HB   LYS  41          HB3       LYS  41   4.008   5.826 -10.910
  276   1HG   LYS  41          HG2       LYS  41   1.898   7.475 -12.310
  277   2HG   LYS  41          HG3       LYS  41   3.507   7.335 -13.018
  278   1HD   LYS  41          HD2       LYS  41   3.482   4.966 -13.074
  279   2HD   LYS  41          HD3       LYS  41   2.052   4.873 -12.048
  280   1HE   LYS  41          HE2       LYS  41   0.713   5.882 -13.917
  281   2HE   LYS  41          HE3       LYS  41   2.148   5.758 -14.946
  282   1HZ   LYS  41          HZ1       LYS  41   2.178   3.415 -14.614
  283   2HZ   LYS  41          HZ2       LYS  41   1.042   3.450 -13.456
  284   3HZ   LYS  41          HZ3       LYS  41   0.607   3.779 -15.008
  285    H    LYS  42           H        LYS  42   0.413   8.115  -9.011
  286    HA   LYS  42           HA       LYS  42   1.882  10.373  -7.746
  287   1HB   LYS  42          HB2       LYS  42  -1.058   9.875  -8.397
  288   2HB   LYS  42          HB3       LYS  42  -0.462  11.247  -7.442
  289   1HG   LYS  42          HG2       LYS  42   0.884  12.026  -9.334
  290   2HG   LYS  42          HG3       LYS  42   0.401  10.616 -10.302
  291   1HD   LYS  42          HD2       LYS  42  -1.946  11.282 -10.223
  292   2HD   LYS  42          HD3       LYS  42  -1.572  12.635  -9.134
  293   1HE   LYS  42          HE2       LYS  42  -0.173  13.691 -10.885
  294   2HE   LYS  42          HE3       LYS  42  -0.469  12.327 -11.975
  295   1HZ   LYS  42          HZ1       LYS  42  -2.553  14.142 -10.929
  296   2HZ   LYS  42          HZ2       LYS  42  -1.920  14.196 -12.446
  297   3HZ   LYS  42          HZ3       LYS  42  -2.802  12.893 -11.968
  298    H    SER  43           H        SER  43  -1.096   8.509  -6.826
  299    HA   SER  43           HA       SER  43  -0.908   9.110  -4.223
  300   1HB   SER  43          HB2       SER  43  -2.096   6.478  -5.061
  301   2HB   SER  43          HB3       SER  43  -2.772   7.701  -3.974
  302    HG   SER  43           HG       SER  43  -3.786   7.640  -6.090
  303    H    ALA  44           H        ALA  44   0.270   6.133  -5.765
  304    HA   ALA  44           HA       ALA  44   1.177   4.659  -3.506
  305   1HB   ALA  44          HB1       ALA  44   1.041   3.740  -5.813
  306   2HB   ALA  44          HB2       ALA  44   2.337   4.833  -6.331
  307   3HB   ALA  44          HB3       ALA  44   2.676   3.572  -5.139
  308    H    HIS  45           HN       HIS  45   2.687   7.240  -5.404
  309    HA   HIS  45           HA       HIS  45   5.229   7.030  -3.915
  310   1HB   HIS  45          HB2       HIS  45   4.543   8.576  -6.390
  311   2HB   HIS  45          HB3       HIS  45   6.150   8.348  -5.702
  312    HD1  HIS  45           HND      HIS  45   4.997   7.334  -8.602
  313    HD2  HIS  45           HD       HIS  45   5.900   5.113  -5.159
  314    HE1  HIS  45           HE       HIS  45   5.730   5.017  -9.399
  315    H    LYS  46           H        LYS  46   2.405   8.601  -3.346
  316    HA   LYS  46           HA       LYS  46   3.778  10.972  -2.130
  317   1HB   LYS  46          HB2       LYS  46   2.319  11.401  -4.103
  318   2HB   LYS  46          HB3       LYS  46   0.944  10.785  -3.228
  319   1HG   LYS  46          HG2       LYS  46   1.446  12.619  -1.471
  320   2HG   LYS  46          HG3       LYS  46   2.689  13.223  -2.569
  321   1HD   LYS  46          HD2       LYS  46   1.064  13.610  -4.337
  322   2HD   LYS  46          HD3       LYS  46  -0.220  12.816  -3.421
  323   1HE   LYS  46          HE2       LYS  46   1.168  15.398  -2.532
  324   2HE   LYS  46          HE3       LYS  46  -0.358  15.310  -3.427
  325   1HZ   LYS  46          HZ1       LYS  46  -1.137  13.822  -1.558
  326   2HZ   LYS  46          HZ2       LYS  46   0.084  14.245  -0.683
  327   3HZ   LYS  46          HZ3       LYS  46  -0.971  15.427  -1.150
  328    H    ASP  47           H        ASP  47   0.449  10.485  -1.343
  329    HA   ASP  47           HA       ASP  47   1.213  10.384   1.420
  330   1HB   ASP  47          HB2       ASP  47  -1.611  10.229   0.356
  331   2HB   ASP  47          HB3       ASP  47  -1.004  10.989   1.833
  332    H    ALA  48           H        ALA  48  -0.321   8.039  -0.787
  333    HA   ALA  48           HA       ALA  48  -1.832   6.750   1.118
  334   1HB   ALA  48          HB1       ALA  48  -2.173   6.584  -1.315
  335   2HB   ALA  48          HB2       ALA  48  -0.734   5.559  -1.473
  336   3HB   ALA  48          HB3       ALA  48  -2.148   4.975  -0.567
  337    H    CYS  49           HN       CYS  49   1.158   5.294  -0.169
  338    HA   CYS  49           HA       CYS  49   1.014   3.278   2.045
  339   1HB   CYS  49          HB2       CYS  49   2.197   3.167  -0.739
  340   2HB   CYS  49          HB3       CYS  49   2.299   1.900   0.499
  341    H    LYS  50           H        LYS  50   3.638   4.733   0.115
  342    HA   LYS  50           HA       LYS  50   5.769   4.090   1.687
  343   1HB   LYS  50          HB2       LYS  50   6.937   5.902   0.685
  344   2HB   LYS  50          HB3       LYS  50   5.858   5.150  -0.497
  345   1HG   LYS  50          HG2       LYS  50   4.165   6.973  -0.004
  346   2HG   LYS  50          HG3       LYS  50   5.380   7.803   0.988
  347   1HD   LYS  50          HD2       LYS  50   5.837   7.016  -1.891
  348   2HD   LYS  50          HD3       LYS  50   5.072   8.536  -1.334
  349   1HE   LYS  50          HE2       LYS  50   7.030   9.131  -0.065
  350   2HE   LYS  50          HE3       LYS  50   7.910   7.702  -0.639
  351   1HZ   LYS  50          HZ1       LYS  50   8.291   9.825  -1.948
  352   2HZ   LYS  50          HZ2       LYS  50   7.817   8.531  -2.848
  353   3HZ   LYS  50          HZ3       LYS  50   6.734   9.687  -2.495
  354    H    THR  51           H        THR  51   3.562   6.883   2.206
  355    HA   THR  51           HA       THR  51   5.167   7.985   4.330
  356    HB   THR  51           HB       THR  51   2.363   8.716   3.487
  357    HG1  THR  51           HG1      THR  51   3.477   9.470   1.803
  358   1HG2  THR  51          HG2       THR  51   2.966  10.913   4.464
  359   2HG2  THR  51          HG2       THR  51   2.875   9.643   5.695
  360   3HG2  THR  51          HG2       THR  51   4.460  10.207   5.112
  361    H    CYS  52           HN       CYS  52   2.539   5.597   4.317
  362    HA   CYS  52           HA       CYS  52   2.393   5.531   7.266
  363   1HB   CYS  52          HB2       CYS  52   0.597   4.521   6.029
  364   2HB   CYS  52          HB3       CYS  52   1.731   3.442   5.185
  365    H    HIS  53           HN       HIS  53   4.053   3.643   4.710
  366    HA   HIS  53           HA       HIS  53   5.529   1.942   6.277
  367   1HB   HIS  53          HB2       HIS  53   5.992   3.249   3.621
  368   2HB   HIS  53          HB3       HIS  53   7.326   2.372   4.297
  369    HD1  HIS  53           HND      HIS  53   7.393   0.080   3.211
  370    HD2  HIS  53           HD       HIS  53   3.546   1.318   4.292
  371    HE1  HIS  53           HE       HIS  53   5.864  -1.863   2.727
  372    H    LYS  54           H        LYS  54   6.568   5.249   5.442
  373    HA   LYS  54           HA       LYS  54   9.048   5.561   6.663
  374   1HB   LYS  54          HB2       LYS  54   6.695   7.426   6.721
  375   2HB   LYS  54          HB3       LYS  54   8.362   7.777   7.226
  376   1HG   LYS  54          HG2       LYS  54   9.049   6.829   4.895
  377   2HG   LYS  54          HG3       LYS  54   7.392   7.237   4.459
  378   1HD   LYS  54          HD2       LYS  54   7.833   9.499   5.632
  379   2HD   LYS  54          HD3       LYS  54   9.534   8.974   5.696
  380   1HE   LYS  54          HE2       LYS  54   9.614   8.917   3.213
  381   2HE   LYS  54          HE3       LYS  54   7.883   9.301   3.128
  382   1HZ   LYS  54          HZ1       LYS  54   9.242  11.269   2.787
  383   2HZ   LYS  54          HZ2       LYS  54   8.349  11.420   4.157
  384   3HZ   LYS  54          HZ3       LYS  54   9.952  11.081   4.258
  385    H    SER  55           H        SER  55   5.879   5.404   8.355
  386    HA   SER  55           HA       SER  55   6.881   6.087  10.975
  387   1HB   SER  55          HB2       SER  55   4.494   6.226  10.230
  388   2HB   SER  55          HB3       SER  55   4.421   4.450  10.223
  389    HG   SER  55           HG       SER  55   3.720   5.353  12.237
  390    H    ASN  56           H        ASN  56   6.443   3.057   9.189
  391    HA   ASN  56           HA       ASN  56   8.505   1.691  10.146
  392   1HB   ASN  56          HB2       ASN  56   6.504   1.631  12.255
  393   2HB   ASN  56          HB3       ASN  56   6.560   0.027  11.538
  394   1HD2  ASN  56          HD2       ASN  56   8.791   2.638  12.549
  395   2HD2  ASN  56          HD2       ASN  56  10.035   1.546  13.163
  396    H    ASN  57           H        ASN  57   8.779  -0.238   9.103
  397    HA   ASN  57           HA       ASN  57   6.704  -1.845   8.052
  398   1HB   ASN  57          HB2       ASN  57   6.848  -1.533   5.693
  399   2HB   ASN  57          HB3       ASN  57   6.368  -0.015   6.404
  400   1HD2  ASN  57          HD2       ASN  57   8.585   1.463   6.935
  401   2HD2  ASN  57          HD2       ASN  57   9.780   1.373   5.629
  402    H    GLY  58           H        GLY  58  10.008  -0.759   7.310
  403   1HA   GLY  58          HA2       GLY  58  11.899  -2.339   7.641
  404   2HA   GLY  58          HA3       GLY  58  10.907  -3.626   6.971
  405    HA   PRO  59           HA       PRO  59  12.445  -2.688   2.998
  406   1HB   PRO  59          HB2       PRO  59  10.431  -3.195   1.223
  407   2HB   PRO  59          HB3       PRO  59  11.099  -4.434   2.311
  408   1HG   PRO  59          HG2       PRO  59   8.643  -2.715   2.755
  409   2HG   PRO  59          HG3       PRO  59   8.754  -4.502   2.818
  410   1HD   PRO  59          HD2       PRO  59   8.915  -3.015   5.049
  411   2HD   PRO  59          HD3       PRO  59   9.974  -4.438   4.856
  412    H    THR  60           H        THR  60  12.380  -0.290   4.050
  413    HA   THR  60           HA       THR  60  10.854   1.661   2.548
  414    HB   THR  60           HB       THR  60  13.317   2.049   4.284
  415    HG1  THR  60           HG1      THR  60  11.840   2.322   5.925
  416   1HG2  THR  60          HG2       THR  60  12.321   4.293   4.698
  417   2HG2  THR  60          HG2       THR  60  12.717   4.103   2.988
  418   3HG2  THR  60          HG2       THR  60  11.032   3.940   3.530
  419    H    LYS  61           H        LYS  61  11.545   0.554   0.420
  420    HA   LYS  61           HA       LYS  61  13.354   2.434  -0.886
  421   1HB   LYS  61          HB2       LYS  61  14.523   0.036   0.050
  422   2HB   LYS  61          HB3       LYS  61  14.183  -0.309  -1.643
  423   1HG   LYS  61          HG2       LYS  61  15.410   1.809  -2.264
  424   2HG   LYS  61          HG3       LYS  61  15.742   2.069  -0.537
  425   1HD   LYS  61          HD2       LYS  61  16.930  -0.123  -0.451
  426   2HD   LYS  61          HD3       LYS  61  16.628  -0.349  -2.186
  427   1HE   LYS  61          HE2       LYS  61  17.910   1.752  -2.667
  428   2HE   LYS  61          HE3       LYS  61  18.213   1.956  -0.935
  429   1HZ   LYS  61          HZ1       LYS  61  19.151  -0.313  -2.577
  430   2HZ   LYS  61          HZ2       LYS  61  20.079   0.928  -2.034
  431   3HZ   LYS  61          HZ3       LYS  61  19.422  -0.133  -0.965
  432    H    CYS  62           HN       CYS  62  13.219   2.264  -3.312
  433    HA   CYS  62           HA       CYS  62  10.675   1.807  -4.334
  434   1HB   CYS  62          HB2       CYS  62  13.177   1.252  -5.918
  435   2HB   CYS  62          HB3       CYS  62  11.635   1.821  -6.528
  436    H    GLY  63           H        GLY  63  13.456  -0.439  -4.655
  437   1HA   GLY  63          HA2       GLY  63  11.927  -2.680  -5.602
  438   2HA   GLY  63          HA3       GLY  63  13.585  -2.677  -4.987
  439    H    GLY  64           H        GLY  64  11.515  -1.354  -2.621
  440   1HA   GLY  64          HA2       GLY  64  11.305  -3.832  -1.039
  441   2HA   GLY  64          HA3       GLY  64  10.977  -2.147  -0.584
  442    H    CYS  65           HN       CYS  65   9.402  -1.723  -3.165
  443    HA   CYS  65           HA       CYS  65   6.835  -3.003  -2.235
  444   1HB   CYS  65          HB2       CYS  65   7.392  -0.551  -3.902
  445   2HB   CYS  65          HB3       CYS  65   5.789  -1.262  -3.646
  446    H    HIS  66           HN       HIS  66   8.134  -2.004  -5.371
  447    HA   HIS  66           HA       HIS  66   6.789  -4.106  -6.838
  448   1HB   HIS  66          HB2       HIS  66   9.101  -2.941  -8.199
  449   2HB   HIS  66          HB3       HIS  66   7.421  -2.971  -8.692
  450    HD1  HIS  66           HND      HIS  66   9.712  -1.075  -6.271
  451    HD2  HIS  66           HD       HIS  66   6.187  -0.527  -8.493
  452    HE1  HIS  66           HE       HIS  66   9.093   1.327  -6.044
  453    H    ILE  67           H        ILE  67   7.448  -6.176  -7.236
  454    HA   ILE  67           HA       ILE  67   9.528  -7.468  -5.934
  455    HB   ILE  67           HB       ILE  67   8.174  -8.093  -8.576
  456   1HG1  ILE  67          HG1       ILE  67   6.745  -8.066  -6.522
  457   2HG1  ILE  67          HG1       ILE  67   6.785  -9.592  -7.392
  458   1HG2  ILE  67          HG2       ILE  67  10.088  -9.876  -7.028
  459   2HG2  ILE  67          HG2       ILE  67   8.922 -10.476  -8.226
  460   3HG2  ILE  67          HG2       ILE  67  10.193  -9.363  -8.724
  461   1HD1  ILE  67          HD1       ILE  67   6.836  -9.908  -4.949
  462   2HD1  ILE  67          HD1       ILE  67   8.319 -10.536  -5.678
  463   3HD1  ILE  67          HD1       ILE  67   8.332  -8.976  -4.822
  464    H    LYS  68           H        LYS  68  11.640  -7.986  -6.230
  465    HA   LYS  68           HA       LYS  68  13.058  -7.758  -8.655
  466   1HB   LYS  68          HB2       LYS  68  14.626  -6.013  -8.116
  467   2HB   LYS  68          HB3       LYS  68  12.987  -5.373  -8.149
  468   1HG   LYS  68          HG2       LYS  68  13.709  -4.420  -6.295
  469   2HG   LYS  68          HG3       LYS  68  12.963  -5.850  -5.600
  470   1HD   LYS  68          HD2       LYS  68  15.909  -6.081  -6.230
  471   2HD   LYS  68          HD3       LYS  68  15.513  -4.819  -5.083
  472   1HE   LYS  68          HE2       LYS  68  15.566  -6.296  -3.427
  473   2HE   LYS  68          HE3       LYS  68  14.075  -6.990  -4.052
  474   1HZ   LYS  68          HZ1       LYS  68  15.462  -8.441  -5.443
  475   2HZ   LYS  68          HZ2       LYS  68  16.816  -7.886  -4.725
  476   3HZ   LYS  68          HZ3       LYS  68  15.662  -8.704  -3.853
  477    HHA  HEC 130           HCM      HEC  30  -9.921  -0.554  -2.958
  478    HHB  HEC 130           HDM      HEC  30 -12.871  -2.910   2.047
  479    HHC  HEC 130           HAM      HEC  30  -7.259  -3.637   4.669
  480    HHD  HEC 130           HBM      HEC  30  -5.227   0.814   0.894
  481   1HMA  HEC 130          HM8       HEC  30 -14.639  -1.393   0.236
  482   2HMA  HEC 130          HM8       HEC  30 -14.546  -2.322  -1.266
  483   3HMA  HEC 130          HM8       HEC  30 -14.268  -3.135   0.267
  484   1HAA  HEC 130          HP7       HEC  30 -12.055  -0.425  -3.407
  485   2HAA  HEC 130          HP7       HEC  30 -13.628  -0.750  -2.706
  486   1HBA  HEC 130          HP7       HEC  30 -13.097  -2.167  -4.682
  487   2HBA  HEC 130          HP7       HEC  30 -13.468  -3.101  -3.233
  488   1HMB  HEC 130          HM1       HEC  30 -13.197  -3.303   4.532
  489   2HMB  HEC 130          HM1       HEC  30 -12.918  -4.809   3.619
  490   3HMB  HEC 130          HM1       HEC  30 -12.418  -4.680   5.304
  491    HAB  HEC 130           HT2      HEC  30  -8.620  -4.377   6.076
  492   1HBB  HEC 130          HT2       HEC  30 -10.820  -6.332   5.311
  493   2HBB  HEC 130          HT2       HEC  30  -9.117  -6.450   4.839
  494   3HBB  HEC 130          HT2       HEC  30  -9.581  -6.586   6.545
  495   1HMC  HEC 130          HM3       HEC  30  -4.903  -2.220   5.620
  496   2HMC  HEC 130          HM3       HEC  30  -4.946  -3.754   4.690
  497   3HMC  HEC 130          HM3       HEC  30  -3.662  -2.592   4.396
  498    HAC  HEC 130           HT4      HEC  30  -3.431  -0.358   3.975
  499   1HBC  HEC 130          HT4       HEC  30  -3.346  -0.349   0.953
  500   2HBC  HEC 130          HT4       HEC  30  -2.324   0.758   1.868
  501   3HBC  HEC 130          HT4       HEC  30  -2.202  -0.996   2.127
  502   1HMD  HEC 130          HM5       HEC  30  -4.964   2.214  -0.845
  503   2HMD  HEC 130          HM5       HEC  30  -4.504   0.820  -1.839
  504   3HMD  HEC 130          HM5       HEC  30  -5.421   2.165  -2.541
  505   1HAD  HEC 130          HP6       HEC  30  -7.449   2.236  -3.428
  506   2HAD  HEC 130          HP6       HEC  30  -8.848   1.231  -3.762
  507   1HBD  HEC 130          HP6       HEC  30  -7.611  -0.267  -5.078
  508   2HBD  HEC 130          HP6       HEC  30  -6.069   0.411  -4.553
  509    HHA  HEC 153           HCM      HEC  53   5.153  -5.165   5.224
  510    HHB  HEC 153           HDM      HEC  53   3.932  -3.211  -0.540
  511    HHC  HEC 153           HAM      HEC  53  -0.083   0.935   1.826
  512    HHD  HEC 153           HBM      HEC  53   2.136  -0.197   7.504
  513   1HMA  HEC 153          HM8       HEC  53   4.578  -5.444  -0.662
  514   2HMA  HEC 153          HM8       HEC  53   6.227  -4.802  -0.426
  515   3HMA  HEC 153          HM8       HEC  53   5.761  -6.377   0.242
  516   1HAA  HEC 153          HP7       HEC  53   6.891  -5.778   3.837
  517   2HAA  HEC 153          HP7       HEC  53   7.047  -6.230   2.155
  518   1HBA  HEC 153          HP7       HEC  53   5.224  -7.878   2.412
  519   2HBA  HEC 153          HP7       HEC  53   5.078  -7.440   4.121
  520   1HMB  HEC 153          HM1       HEC  53   2.497  -0.622  -2.596
  521   2HMB  HEC 153          HM1       HEC  53   3.278  -2.107  -2.170
  522   3HMB  HEC 153          HM1       HEC  53   1.523  -2.113  -2.410
  523    HAB  HEC 153           HT2      HEC  53  -0.798   0.047  -0.650
  524   1HBB  HEC 153          HT2       HEC  53  -0.512   1.263  -2.710
  525   2HBB  HEC 153          HT2       HEC  53   1.241   1.154  -2.589
  526   3HBB  HEC 153          HT2       HEC  53   0.238  -0.320  -2.832
  527   1HMC  HEC 153          HM3       HEC  53  -1.887   2.003   4.493
  528   2HMC  HEC 153          HM3       HEC  53  -0.584   3.207   4.428
  529   3HMC  HEC 153          HM3       HEC  53  -1.067   2.369   2.989
  530    HAC  HEC 153           HT4      HEC  53   0.191   0.832   7.762
  531   1HBC  HEC 153          HT4       HEC  53  -1.965   1.553   6.774
  532   2HBC  HEC 153          HT4       HEC  53  -1.385   2.505   8.142
  533   3HBC  HEC 153          HT4       HEC  53  -1.267   3.170   6.527
  534   1HMD  HEC 153          HM5       HEC  53   3.695  -0.814   9.055
  535   2HMD  HEC 153          HM5       HEC  53   2.644  -2.209   9.404
  536   3HMD  HEC 153          HM5       HEC  53   4.406  -2.335   9.559
  537   1HAD  HEC 153          HP6       HEC  53   4.888  -4.345   8.896
  538   2HAD  HEC 153          HP6       HEC  53   5.711  -5.000   7.495
  539   1HBD  HEC 153          HP6       HEC  53   3.828  -6.342   6.892
  540   2HBD  HEC 153          HP6       HEC  53   2.726  -5.368   7.867
  541    HHA  HEC 166           HCM      HEC  66   3.756   1.966 -10.493
  542    HHB  HEC 166           HDM      HEC  66   9.793   3.489 -10.243
  543    HHC  HEC 166           HAM      HEC  66   9.231   4.168  -4.048
  544    HHD  HEC 166           HBM      HEC  66   3.962   0.915  -4.364
  545   1HMA  HEC 166          HM8       HEC  66   8.768   4.239 -12.417
  546   2HMA  HEC 166          HM8       HEC  66   9.210   2.517 -12.528
  547   3HMA  HEC 166          HM8       HEC  66   7.839   3.145 -13.448
  548   1HAA  HEC 166          HP7       HEC  66   5.575   3.773 -13.117
  549   2HAA  HEC 166          HP7       HEC  66   4.209   2.996 -12.340
  550   1HBA  HEC 166          HP7       HEC  66   4.782   0.856 -13.235
  551   2HBA  HEC 166          HP7       HEC  66   6.349   1.432 -13.802
  552   1HMB  HEC 166          HM1       HEC  66  12.611   4.685  -8.056
  553   2HMB  HEC 166          HM1       HEC  66  12.043   3.445  -9.167
  554   3HMB  HEC 166          HM1       HEC  66  11.537   5.138  -9.386
  555    HAB  HEC 166           HT2      HEC  66  11.208   4.521  -4.419
  556   1HBB  HEC 166          HT2       HEC  66  12.402   6.320  -6.543
  557   2HBB  HEC 166          HT2       HEC  66  11.137   6.779  -5.393
  558   3HBB  HEC 166          HT2       HEC  66  12.749   6.321  -4.809
  559   1HMC  HEC 166          HM3       HEC  66   8.108   1.999  -1.293
  560   2HMC  HEC 166          HM3       HEC  66   9.264   2.851  -2.269
  561   3HMC  HEC 166          HM3       HEC  66   7.958   3.762  -1.465
  562    HAC  HEC 166           HT4      HEC  66   4.604   0.658  -2.403
  563   1HBC  HEC 166          HT4       HEC  66   4.678   1.325  -0.138
  564   2HBC  HEC 166          HT4       HEC  66   6.113   2.318  -0.375
  565   3HBC  HEC 166          HT4       HEC  66   4.587   2.786  -1.147
  566   1HMD  HEC 166          HM5       HEC  66   1.609   1.473  -4.984
  567   2HMD  HEC 166          HM5       HEC  66   0.801   0.627  -6.295
  568   3HMD  HEC 166          HM5       HEC  66   1.954  -0.237  -5.280
  569   1HAD  HEC 166          HP6       HEC  66   0.710   1.760  -8.462
  570   2HAD  HEC 166          HP6       HEC  66   1.126   0.048  -8.443
  571   1HBD  HEC 166          HP6       HEC  66   0.456   0.454 -10.559
  572   2HBD  HEC 166          HP6       HEC  66   2.197   0.307 -10.659
  Start of MODEL   23
    1   1H    ALA   1          H1        ALA   1 -12.910  -7.625  -0.615
    2   2H    ALA   1          H2        ALA   1 -12.450  -6.216  -1.349
    3   3H    ALA   1          H3        ALA   1 -11.843  -7.626  -1.884
    4    HA   ALA   1           HA       ALA   1 -10.299  -6.282  -0.584
    5   1HB   ALA   1          HB1       ALA   1 -10.667  -6.060   1.838
    6   2HB   ALA   1          HB2       ALA   1 -11.956  -5.285   0.896
    7   3HB   ALA   1          HB3       ALA   1 -12.247  -6.853   1.680
    8    H    ASP   2           H        ASP   2  -9.161  -8.125  -1.480
    9    HA   ASP   2           HA       ASP   2  -8.098  -9.718   0.637
   10   1HB   ASP   2          HB2       ASP   2  -9.994 -11.165  -0.298
   11   2HB   ASP   2          HB3       ASP   2  -9.116 -11.202  -1.836
   12    H    VAL   3           H        VAL   3  -6.078 -10.889  -0.404
   13    HA   VAL   3           HA       VAL   3  -4.379  -8.798  -1.163
   14    HB   VAL   3           HB       VAL   3  -3.902 -11.769  -1.536
   15   1HG1  VAL   3          HG1       VAL   3  -2.256 -10.469  -2.844
   16   2HG1  VAL   3          HG1       VAL   3  -1.960  -9.410  -1.448
   17   3HG1  VAL   3          HG1       VAL   3  -1.490 -11.118  -1.394
   18   1HG2  VAL   3          HG2       VAL   3  -2.655 -11.527   0.613
   19   2HG2  VAL   3          HG2       VAL   3  -3.230  -9.857   0.751
   20   3HG2  VAL   3          HG2       VAL   3  -4.385 -11.213   0.807
   21    H    VAL   4           H        VAL   4  -3.839  -7.836  -2.954
   22    HA   VAL   4           HA       VAL   4  -4.523  -9.015  -5.640
   23    HB   VAL   4           HB       VAL   4  -4.647  -6.043  -5.057
   24   1HG1  VAL   4          HG1       VAL   4  -4.457  -6.571  -7.444
   25   2HG1  VAL   4          HG1       VAL   4  -5.775  -7.759  -7.304
   26   3HG1  VAL   4          HG1       VAL   4  -6.086  -6.026  -7.090
   27   1HG2  VAL   4          HG2       VAL   4  -7.142  -6.283  -5.075
   28   2HG2  VAL   4          HG2       VAL   4  -6.910  -8.027  -4.827
   29   3HG2  VAL   4          HG2       VAL   4  -6.318  -6.840  -3.629
   30    H    THR   5           H        THR   5  -3.126  -8.143  -7.438
   31    HA   THR   5           HA       THR   5  -0.524  -7.051  -6.575
   32    HB   THR   5           HB       THR   5  -1.056  -9.789  -7.625
   33    HG1  THR   5           HG1      THR   5   1.243  -8.587  -6.493
   34   1HG2  THR   5          HG2       THR   5   1.226  -8.199  -8.838
   35   2HG2  THR   5          HG2       THR   5   1.066  -9.963  -8.860
   36   3HG2  THR   5          HG2       THR   5  -0.139  -8.975  -9.694
   37    H    TYR   6           H        TYR   6   0.531  -5.784  -8.041
   38    HA   TYR   6           HA       TYR   6  -1.317  -4.767 -10.218
   39   1HB   TYR   6          HB2       TYR   6   0.455  -3.162  -8.342
   40   2HB   TYR   6          HB3       TYR   6  -0.174  -2.575  -9.828
   41    HD1  TYR   6           HD1      TYR   6  -1.830  -0.957  -9.254
   42    HD2  TYR   6           HD2      TYR   6  -1.819  -4.724  -7.159
   43    HE1  TYR   6           HE1      TYR   6  -4.015  -0.401  -8.188
   44    HE2  TYR   6           HE2      TYR   6  -4.091  -4.250  -6.321
   45    HH   TYR   6           HH       TYR   6  -5.842  -1.227  -6.870
   46    H    GLU   7           H        GLU   7  -0.422  -6.007 -11.890
   47    HA   GLU   7           HA       GLU   7   2.421  -5.876 -12.395
   48   1HB   GLU   7          HB2       GLU   7   0.338  -7.117 -14.187
   49   2HB   GLU   7          HB3       GLU   7   2.030  -7.566 -13.950
   50   1HG   GLU   7          HG2       GLU   7   1.140  -9.176 -12.552
   51   2HG   GLU   7          HG3       GLU   7   1.029  -7.869 -11.361
   52    H    ASN   8           H        ASN   8   3.263  -4.057 -13.105
   53    HA   ASN   8           HA       ASN   8   1.767  -2.385 -15.094
   54   1HB   ASN   8          HB2       ASN   8   3.161  -0.554 -14.178
   55   2HB   ASN   8          HB3       ASN   8   2.029  -1.260 -13.026
   56   1HD2  ASN   8          HD2       ASN   8   2.903  -2.786 -11.298
   57   2HD2  ASN   8          HD2       ASN   8   4.617  -2.656 -10.928
   58    H    ALA   9           H        ALA   9   5.222  -2.422 -14.365
   59    HA   ALA   9           HA       ALA   9   6.072  -3.755 -16.776
   60   1HB   ALA   9          HB1       ALA   9   6.223  -0.711 -16.585
   61   2HB   ALA   9          HB2       ALA   9   7.075  -1.700 -17.800
   62   3HB   ALA   9          HB3       ALA   9   5.300  -1.637 -17.778
   63    H    ALA  10           H        ALA  10   6.860  -1.270 -14.315
   64    HA   ALA  10           HA       ALA  10   9.654  -2.187 -14.083
   65   1HB   ALA  10          HB1       ALA  10   9.094   0.214 -14.158
   66   2HB   ALA  10          HB2       ALA  10   8.120   0.036 -12.682
   67   3HB   ALA  10          HB3       ALA  10   9.879  -0.229 -12.629
   68    H    GLY  11           H        GLY  11   7.825  -4.207 -13.361
   69   1HA   GLY  11          HA2       GLY  11   8.192  -5.876 -11.608
   70   2HA   GLY  11          HA3       GLY  11   8.679  -4.616 -10.518
   71    H    ASN  12           H        ASN  12   6.262  -6.759 -10.838
   72    HA   ASN  12           HA       ASN  12   4.012  -4.956 -10.417
   73   1HB   ASN  12          HB2       ASN  12   2.657  -6.817  -9.989
   74   2HB   ASN  12          HB3       ASN  12   3.665  -7.218 -11.385
   75   1HD2  ASN  12          HD2       ASN  12   4.971  -9.018 -11.379
   76   2HD2  ASN  12          HD2       ASN  12   5.105 -10.040  -9.955
   77    H    VAL  13           H        VAL  13   2.720  -4.980  -8.459
   78    HA   VAL  13           HA       VAL  13   4.359  -5.164  -5.961
   79    HB   VAL  13           HB       VAL  13   3.125  -2.974  -7.009
   80   1HG1  VAL  13          HG1       VAL  13   1.227  -3.736  -4.785
   81   2HG1  VAL  13          HG1       VAL  13   1.081  -2.455  -5.995
   82   3HG1  VAL  13          HG1       VAL  13   0.827  -4.143  -6.463
   83   1HG2  VAL  13          HG2       VAL  13   3.584  -3.554  -4.064
   84   2HG2  VAL  13          HG2       VAL  13   4.728  -2.940  -5.275
   85   3HG2  VAL  13          HG2       VAL  13   3.338  -1.953  -4.793
   86    H    THR  14           H        THR  14   2.692  -5.321  -4.051
   87    HA   THR  14           HA       THR  14   0.724  -7.457  -4.386
   88    HB   THR  14           HB       THR  14   2.777  -7.409  -2.140
   89    HG1  THR  14           HG1      THR  14   2.614  -9.719  -3.297
   90   1HG2  THR  14          HG2       THR  14   0.461  -8.077  -1.410
   91   2HG2  THR  14          HG2       THR  14   0.417  -9.277  -2.714
   92   3HG2  THR  14          HG2       THR  14   1.580  -9.434  -1.376
   93    H    PHE  15           H        PHE  15  -0.801  -6.095  -4.246
   94    HA   PHE  15           HA       PHE  15  -1.331  -4.106  -2.122
   95   1HB   PHE  15          HB2       PHE  15  -2.713  -5.159  -4.507
   96   2HB   PHE  15          HB3       PHE  15  -3.790  -4.913  -3.134
   97    HD1  PHE  15           HD1      PHE  15  -0.944  -3.166  -4.802
   98    HD2  PHE  15           HD2      PHE  15  -4.896  -2.866  -3.147
   99    HE1  PHE  15           HE1      PHE  15  -0.870  -0.692  -5.090
  100    HE2  PHE  15           HE2      PHE  15  -4.857  -0.429  -3.515
  101    HZ   PHE  15           HZ       PHE  15  -2.722   0.680  -4.168
  102    H    ASP  16           H        ASP  16  -0.677  -5.302  -0.264
  103    HA   ASP  16           HA       ASP  16  -2.082  -7.712   0.473
  104   1HB   ASP  16          HB2       ASP  16  -0.379  -5.661   1.994
  105   2HB   ASP  16          HB3       ASP  16  -1.016  -7.147   2.716
  106    H    HIS  17           HN       HIS  17  -4.244  -7.079   0.001
  107    HA   HIS  17           HA       HIS  17  -5.613  -5.214   1.760
  108   1HB   HIS  17          HB2       HIS  17  -6.298  -6.959  -0.396
  109   2HB   HIS  17          HB3       HIS  17  -7.342  -7.416   0.960
  110    HD1  HIS  17           HND      HIS  17  -7.533  -5.317  -1.895
  111    HD2  HIS  17           HD       HIS  17  -8.059  -4.736   2.207
  112    HE1  HIS  17           HE       HIS  17  -8.708  -3.092  -1.653
  113    H    LYS  18           H        LYS  18  -5.501  -8.798   1.763
  114    HA   LYS  18           HA       LYS  18  -6.741  -8.979   4.298
  115   1HB   LYS  18          HB2       LYS  18  -6.660 -10.547   2.242
  116   2HB   LYS  18          HB3       LYS  18  -5.236 -11.271   2.983
  117   1HG   LYS  18          HG2       LYS  18  -7.913 -10.935   4.413
  118   2HG   LYS  18          HG3       LYS  18  -7.561 -12.296   3.336
  119   1HD   LYS  18          HD2       LYS  18  -5.749 -13.088   4.736
  120   2HD   LYS  18          HD3       LYS  18  -5.756 -11.609   5.687
  121   1HE   LYS  18          HE2       LYS  18  -6.806 -13.369   6.978
  122   2HE   LYS  18          HE3       LYS  18  -7.971 -12.090   6.599
  123   1HZ   LYS  18          HZ1       LYS  18  -8.888 -14.270   6.290
  124   2HZ   LYS  18          HZ2       LYS  18  -8.834 -13.480   4.846
  125   3HZ   LYS  18          HZ3       LYS  18  -7.736 -14.663   5.178
  126    H    ALA  19           H        ALA  19  -3.338  -9.871   3.394
  127    HA   ALA  19           HA       ALA  19  -2.540 -10.599   5.990
  128   1HB   ALA  19          HB1       ALA  19  -0.238 -10.343   5.118
  129   2HB   ALA  19          HB2       ALA  19  -1.286 -11.147   3.933
  130   3HB   ALA  19          HB3       ALA  19  -0.854  -9.437   3.721
  131    H    HIS  20           HN       HIS  20  -2.265  -7.333   4.461
  132    HA   HIS  20           HA       HIS  20  -1.243  -6.140   6.897
  133   1HB   HIS  20          HB2       HIS  20  -2.569  -4.991   4.460
  134   2HB   HIS  20          HB3       HIS  20  -2.175  -4.020   5.850
  135    HD1  HIS  20           HND      HIS  20   0.647  -6.341   5.509
  136    HD2  HIS  20           HD       HIS  20  -0.626  -2.623   4.007
  137    HE1  HIS  20           HE       HIS  20   2.714  -5.135   4.726
  138    H    ALA  21           H        ALA  21  -4.670  -6.404   5.574
  139    HA   ALA  21           HA       ALA  21  -5.921  -4.961   7.611
  140   1HB   ALA  21          HB1       ALA  21  -6.918  -7.464   6.197
  141   2HB   ALA  21          HB2       ALA  21  -7.888  -6.376   7.197
  142   3HB   ALA  21          HB3       ALA  21  -7.163  -5.777   5.695
  143    H    GLU  22           H        GLU  22  -5.068  -8.443   7.673
  144    HA   GLU  22           HA       GLU  22  -6.003  -9.187  10.167
  145   1HB   GLU  22          HB2       GLU  22  -3.478  -9.920   8.648
  146   2HB   GLU  22          HB3       GLU  22  -3.989 -10.799  10.079
  147   1HG   GLU  22          HG2       GLU  22  -5.835 -10.466   7.676
  148   2HG   GLU  22          HG3       GLU  22  -4.663 -11.783   7.824
  149    H    LYS  23           H        LYS  23  -3.146  -7.199   9.463
  150    HA   LYS  23           HA       LYS  23  -2.465  -7.025  12.357
  151   1HB   LYS  23          HB2       LYS  23  -0.931  -7.234   9.875
  152   2HB   LYS  23          HB3       LYS  23  -0.506  -5.755  10.677
  153   1HG   LYS  23          HG2       LYS  23  -0.525  -7.811  12.733
  154   2HG   LYS  23          HG3       LYS  23   0.177  -8.505  11.286
  155   1HD   LYS  23          HD2       LYS  23   1.997  -7.635  12.428
  156   2HD   LYS  23          HD3       LYS  23   1.718  -6.445  11.163
  157   1HE   LYS  23          HE2       LYS  23   0.764  -6.243  14.090
  158   2HE   LYS  23          HE3       LYS  23   2.246  -5.515  13.462
  159   1HZ   LYS  23          HZ1       LYS  23  -0.511  -4.784  12.671
  160   2HZ   LYS  23          HZ2       LYS  23   0.551  -3.874  13.512
  161   3HZ   LYS  23          HZ3       LYS  23   0.845  -4.224  11.932
  162    H    LEU  24           H        LEU  24  -3.958  -5.160   9.925
  163    HA   LEU  24           HA       LEU  24  -3.347  -2.554  11.308
  164   1HB   LEU  24          HB2       LEU  24  -4.151  -3.149   8.444
  165   2HB   LEU  24          HB3       LEU  24  -3.830  -1.577   9.163
  166    HG   LEU  24           HG       LEU  24  -1.765  -3.709   8.626
  167   1HD1  LEU  24          HD1       LEU  24  -2.010  -0.826   7.687
  168   2HD1  LEU  24          HD1       LEU  24  -0.939  -2.086   7.042
  169   3HD1  LEU  24          HD1       LEU  24  -2.698  -2.159   6.778
  170   1HD2  LEU  24          HD2       LEU  24  -1.474  -1.037  10.072
  171   2HD2  LEU  24          HD2       LEU  24  -1.123  -2.647  10.739
  172   3HD2  LEU  24          HD2       LEU  24  -0.127  -2.001   9.431
  173    H    GLY  25           H        GLY  25  -6.057  -4.583  10.313
  174   1HA   GLY  25          HA2       GLY  25  -8.217  -4.505  11.008
  175   2HA   GLY  25          HA3       GLY  25  -7.798  -3.160  12.064
  176    H    CYS  26           HN       CYS  26  -7.663  -3.248   8.543
  177    HA   CYS  26           HA       CYS  26  -8.567  -2.054   6.856
  178   1HB   CYS  26          HB2       CYS  26 -11.017  -1.759   8.540
  179   2HB   CYS  26          HB3       CYS  26 -10.898  -1.643   6.778
  180    H    ASP  27           H        ASP  27  -9.651  -0.339   9.823
  181    HA   ASP  27           HA       ASP  27 -10.072   2.191   8.858
  182   1HB   ASP  27          HB2       ASP  27  -8.911   1.273  11.524
  183   2HB   ASP  27          HB3       ASP  27  -9.492   2.915  11.201
  184    H    ALA  28           H        ALA  28  -7.006   0.784   9.826
  185    HA   ALA  28           HA       ALA  28  -5.138   2.809   9.661
  186   1HB   ALA  28          HB1       ALA  28  -3.611   0.974   8.959
  187   2HB   ALA  28          HB2       ALA  28  -4.735   0.431  10.222
  188   3HB   ALA  28          HB3       ALA  28  -5.052   0.015   8.515
  189    H    CYS  29           HN       CYS  29  -6.897   1.410   6.904
  190    HA   CYS  29           HA       CYS  29  -5.352   3.134   4.975
  191   1HB   CYS  29          HB2       CYS  29  -6.726   0.461   4.624
  192   2HB   CYS  29          HB3       CYS  29  -6.067   1.474   3.333
  193    H    HIS  30           HN       HIS  30  -8.199   3.022   6.667
  194    HA   HIS  30           HA       HIS  30  -9.904   4.248   4.614
  195   1HB   HIS  30          HB2       HIS  30 -10.361   1.475   5.823
  196   2HB   HIS  30          HB3       HIS  30 -11.580   2.420   4.992
  197    HD1  HIS  30           HND      HIS  30 -10.476   3.039   2.276
  198    HD2  HIS  30           HD       HIS  30  -9.598  -0.456   4.371
  199    HE1  HIS  30           HE       HIS  30 -10.078   1.195   0.503
  200    H    GLU  31           H        GLU  31  -9.542   5.872   6.312
  201    HA   GLU  31           HA       GLU  31 -10.537   5.397   8.853
  202   1HB   GLU  31          HB2       GLU  31 -10.007   7.931   7.288
  203   2HB   GLU  31          HB3       GLU  31 -10.356   7.930   9.032
  204   1HG   GLU  31          HG2       GLU  31  -8.382   6.414   9.397
  205   2HG   GLU  31          HG3       GLU  31  -7.967   6.570   7.685
  206    H    GLY  32           H        GLY  32 -12.625   4.398   8.262
  207   1HA   GLY  32          HA2       GLY  32 -14.945   4.591   8.732
  208   2HA   GLY  32          HA3       GLY  32 -14.905   6.326   8.408
  209    H    THR  33           H        THR  33 -16.156   3.579   7.238
  210    HA   THR  33           HA       THR  33 -17.158   2.952   5.315
  211    HB   THR  33           HB       THR  33 -16.740   5.812   4.400
  212    HG1  THR  33           HG1      THR  33 -18.931   4.543   5.673
  213   1HG2  THR  33          HG2       THR  33 -18.806   5.346   3.089
  214   2HG2  THR  33          HG2       THR  33 -17.447   4.367   2.522
  215   3HG2  THR  33          HG2       THR  33 -18.706   3.631   3.536
  216    HA   PRO  34           HA       PRO  34 -13.205   2.200   3.056
  217   1HB   PRO  34          HB2       PRO  34 -13.466  -0.442   2.588
  218   2HB   PRO  34          HB3       PRO  34 -12.974   0.170   4.192
  219   1HG   PRO  34          HG2       PRO  34 -15.772  -0.611   3.292
  220   2HG   PRO  34          HG3       PRO  34 -14.918  -1.152   4.768
  221   1HD   PRO  34          HD2       PRO  34 -16.669   0.895   4.822
  222   2HD   PRO  34          HD3       PRO  34 -15.163   0.958   5.791
  223    H    ALA  35           H        ALA  35 -12.869   1.962   0.833
  224    HA   ALA  35           HA       ALA  35 -14.939   1.319  -1.080
  225   1HB   ALA  35          HB1       ALA  35 -14.159   4.243  -0.617
  226   2HB   ALA  35          HB2       ALA  35 -15.172   3.648  -1.948
  227   3HB   ALA  35          HB3       ALA  35 -15.753   3.547  -0.279
  228    H    LYS  36           H        LYS  36 -13.986   2.282  -3.363
  229    HA   LYS  36           HA       LYS  36 -11.172   1.490  -3.442
  230   1HB   LYS  36          HB2       LYS  36 -13.049   2.459  -5.624
  231   2HB   LYS  36          HB3       LYS  36 -11.296   2.266  -5.812
  232   1HG   LYS  36          HG2       LYS  36 -11.433  -0.079  -5.087
  233   2HG   LYS  36          HG3       LYS  36 -13.207   0.022  -5.163
  234   1HD   LYS  36          HD2       LYS  36 -11.540   0.904  -7.544
  235   2HD   LYS  36          HD3       LYS  36 -11.557  -0.800  -7.198
  236   1HE   LYS  36          HE2       LYS  36 -14.121   0.828  -7.530
  237   2HE   LYS  36          HE3       LYS  36 -13.295   0.020  -8.871
  238   1HZ   LYS  36          HZ1       LYS  36 -15.009  -1.394  -7.950
  239   2HZ   LYS  36          HZ2       LYS  36 -13.525  -2.067  -7.727
  240   3HZ   LYS  36          HZ3       LYS  36 -14.298  -1.364  -6.465
  241    H    ILE  37           H        ILE  37  -9.475   2.853  -4.287
  242    HA   ILE  37           HA       ILE  37  -9.677   5.759  -3.778
  243    HB   ILE  37           HB       ILE  37  -7.616   3.869  -2.544
  244   1HG1  ILE  37          HG1       ILE  37  -9.655   5.672  -1.160
  245   2HG1  ILE  37          HG1       ILE  37  -9.802   3.917  -1.323
  246   1HG2  ILE  37          HG2       ILE  37  -7.799   6.914  -2.433
  247   2HG2  ILE  37          HG2       ILE  37  -6.623   5.923  -1.547
  248   3HG2  ILE  37          HG2       ILE  37  -6.558   5.975  -3.292
  249   1HD1  ILE  37          HD1       ILE  37  -7.681   3.614  -0.055
  250   2HD1  ILE  37          HD1       ILE  37  -7.684   5.361   0.293
  251   3HD1  ILE  37          HD1       ILE  37  -9.007   4.346   0.866
  252    H    ALA  38           H        ALA  38  -8.211   6.896  -5.196
  253    HA   ALA  38           HA       ALA  38  -7.345   5.366  -7.516
  254   1HB   ALA  38          HB1       ALA  38  -6.891   8.286  -6.830
  255   2HB   ALA  38          HB2       ALA  38  -6.597   7.482  -8.391
  256   3HB   ALA  38          HB3       ALA  38  -8.255   7.614  -7.764
  257    H    ILE  39           H        ILE  39  -5.666   4.156  -7.520
  258    HA   ILE  39           HA       ILE  39  -3.118   4.878  -6.123
  259    HB   ILE  39           HB       ILE  39  -4.237   2.248  -7.073
  260   1HG1  ILE  39          HG1       ILE  39  -5.458   3.098  -5.140
  261   2HG1  ILE  39          HG1       ILE  39  -4.482   1.739  -4.755
  262   1HG2  ILE  39          HG2       ILE  39  -2.320   1.166  -6.245
  263   2HG2  ILE  39          HG2       ILE  39  -1.685   2.474  -7.192
  264   3HG2  ILE  39          HG2       ILE  39  -1.694   2.617  -5.434
  265   1HD1  ILE  39          HD1       ILE  39  -2.791   3.286  -3.639
  266   2HD1  ILE  39          HD1       ILE  39  -3.825   4.662  -4.070
  267   3HD1  ILE  39          HD1       ILE  39  -4.408   3.443  -2.955
  268    H    ASP  40           H        ASP  40  -1.848   5.865  -7.410
  269    HA   ASP  40           HA       ASP  40  -1.237   4.858 -10.151
  270   1HB   ASP  40          HB2       ASP  40  -1.699   7.776  -9.355
  271   2HB   ASP  40          HB3       ASP  40  -1.308   7.185 -10.971
  272    H    LYS  41           H        LYS  41   0.864   5.499 -10.838
  273    HA   LYS  41           HA       LYS  41   2.957   6.022  -9.148
  274   1HB   LYS  41          HB2       LYS  41   4.241   6.679 -11.113
  275   2HB   LYS  41          HB3       LYS  41   3.286   5.203 -11.293
  276   1HG   LYS  41          HG2       LYS  41   1.598   6.377 -12.631
  277   2HG   LYS  41          HG3       LYS  41   2.443   7.927 -12.428
  278   1HD   LYS  41          HD2       LYS  41   4.418   7.041 -13.608
  279   2HD   LYS  41          HD3       LYS  41   3.671   5.433 -13.629
  280   1HE   LYS  41          HE2       LYS  41   1.825   6.279 -15.045
  281   2HE   LYS  41          HE3       LYS  41   2.701   7.815 -15.220
  282   1HZ   LYS  41          HZ1       LYS  41   4.547   6.513 -16.166
  283   2HZ   LYS  41          HZ2       LYS  41   3.758   5.124 -15.921
  284   3HZ   LYS  41          HZ3       LYS  41   3.175   6.187 -17.024
  285    H    LYS  42           H        LYS  42   1.587   7.597  -7.829
  286    HA   LYS  42           HA       LYS  42   3.016  10.115  -7.719
  287   1HB   LYS  42          HB2       LYS  42   1.327  10.583  -9.453
  288   2HB   LYS  42          HB3       LYS  42   0.021  10.090  -8.388
  289   1HG   LYS  42          HG2       LYS  42   0.488  12.014  -6.909
  290   2HG   LYS  42          HG3       LYS  42   1.939  12.410  -7.867
  291   1HD   LYS  42          HD2       LYS  42   0.519  12.706  -9.890
  292   2HD   LYS  42          HD3       LYS  42  -0.927  12.345  -8.930
  293   1HE   LYS  42          HE2       LYS  42  -0.509  14.349  -7.525
  294   2HE   LYS  42          HE3       LYS  42   0.984  14.683  -8.421
  295   1HZ   LYS  42          HZ1       LYS  42  -0.852  16.015  -9.232
  296   2HZ   LYS  42          HZ2       LYS  42  -0.343  14.987 -10.408
  297   3HZ   LYS  42          HZ3       LYS  42  -1.730  14.672  -9.588
  298    H    SER  43           H        SER  43  -0.297   9.348  -6.560
  299    HA   SER  43           HA       SER  43   0.029   9.853  -3.884
  300   1HB   SER  43          HB2       SER  43  -1.739   7.742  -5.200
  301   2HB   SER  43          HB3       SER  43  -2.030   8.517  -3.634
  302    HG   SER  43           HG       SER  43  -2.491  10.396  -4.677
  303    H    ALA  44           H        ALA  44   0.590   6.734  -5.574
  304    HA   ALA  44           HA       ALA  44   1.012   5.162  -3.221
  305   1HB   ALA  44          HB1       ALA  44   0.363   4.260  -5.428
  306   2HB   ALA  44          HB2       ALA  44   1.962   4.695  -6.074
  307   3HB   ALA  44          HB3       ALA  44   1.823   3.475  -4.791
  308    H    HIS  45           HN       HIS  45   3.134   7.389  -4.846
  309    HA   HIS  45           HA       HIS  45   5.559   6.211  -3.557
  310   1HB   HIS  45          HB2       HIS  45   5.359   8.246  -5.773
  311   2HB   HIS  45          HB3       HIS  45   6.842   7.547  -5.103
  312    HD1  HIS  45           HND      HIS  45   3.818   6.608  -7.220
  313    HD2  HIS  45           HD       HIS  45   7.337   4.910  -5.705
  314    HE1  HIS  45           HE       HIS  45   4.020   4.312  -8.275
  315    H    LYS  46           H        LYS  46   3.332   8.891  -3.458
  316    HA   LYS  46           HA       LYS  46   5.120  10.695  -1.958
  317   1HB   LYS  46          HB2       LYS  46   2.174  10.771  -2.725
  318   2HB   LYS  46          HB3       LYS  46   2.908  11.917  -1.610
  319   1HG   LYS  46          HG2       LYS  46   4.594  12.514  -3.448
  320   2HG   LYS  46          HG3       LYS  46   3.690  11.429  -4.499
  321   1HD   LYS  46          HD2       LYS  46   2.725  13.438  -5.062
  322   2HD   LYS  46          HD3       LYS  46   1.585  12.877  -3.846
  323   1HE   LYS  46          HE2       LYS  46   3.856  14.917  -3.486
  324   2HE   LYS  46          HE3       LYS  46   2.135  15.289  -3.621
  325   1HZ   LYS  46          HZ1       LYS  46   3.416  13.827  -1.409
  326   2HZ   LYS  46          HZ2       LYS  46   2.792  15.341  -1.344
  327   3HZ   LYS  46          HZ3       LYS  46   1.794  14.052  -1.549
  328    H    ASP  47           H        ASP  47   2.019   9.030  -1.228
  329    HA   ASP  47           HA       ASP  47   2.684   9.208   1.673
  330   1HB   ASP  47          HB2       ASP  47   1.629  11.328   1.005
  331   2HB   ASP  47          HB3       ASP  47   0.234  10.444   0.345
  332    H    ALA  48           H        ALA  48  -0.027   8.250  -0.522
  333    HA   ALA  48           HA       ALA  48  -1.169   6.300   1.116
  334   1HB   ALA  48          HB1       ALA  48  -2.006   5.305  -0.978
  335   2HB   ALA  48          HB2       ALA  48  -2.155   7.074  -0.998
  336   3HB   ALA  48          HB3       ALA  48  -0.855   6.280  -1.915
  337    H    CYS  49           HN       CYS  49  -0.324   4.550   1.996
  338    HA   CYS  49           HA       CYS  49   0.896   2.708   2.432
  339   1HB   CYS  49          HB2       CYS  49   1.926   2.735  -0.421
  340   2HB   CYS  49          HB3       CYS  49   1.932   1.407   0.716
  341    H    LYS  50           H        LYS  50   2.957   4.884   0.400
  342    HA   LYS  50           HA       LYS  50   5.310   4.125   1.682
  343   1HB   LYS  50          HB2       LYS  50   4.430   6.571   0.187
  344   2HB   LYS  50          HB3       LYS  50   5.990   6.614   0.990
  345   1HG   LYS  50          HG2       LYS  50   5.278   4.288  -0.835
  346   2HG   LYS  50          HG3       LYS  50   5.810   5.836  -1.457
  347   1HD   LYS  50          HD2       LYS  50   7.706   4.460  -1.397
  348   2HD   LYS  50          HD3       LYS  50   7.914   5.752  -0.220
  349   1HE   LYS  50          HE2       LYS  50   7.498   4.232   1.637
  350   2HE   LYS  50          HE3       LYS  50   6.994   2.933   0.541
  351   1HZ   LYS  50          HZ1       LYS  50   9.279   2.670   1.373
  352   2HZ   LYS  50          HZ2       LYS  50   9.252   2.810  -0.253
  353   3HZ   LYS  50          HZ3       LYS  50   9.711   4.085   0.675
  354    H    THR  51           H        THR  51   3.195   6.901   2.675
  355    HA   THR  51           HA       THR  51   4.881   7.807   4.757
  356    HB   THR  51           HB       THR  51   1.898   8.024   4.337
  357    HG1  THR  51           HG1      THR  51   2.551  10.090   3.872
  358   1HG2  THR  51          HG2       THR  51   3.527   9.188   6.642
  359   2HG2  THR  51          HG2       THR  51   1.907   9.720   6.152
  360   3HG2  THR  51          HG2       THR  51   2.132   8.087   6.789
  361    H    CYS  52           HN       CYS  52   2.360   5.256   4.953
  362    HA   CYS  52           HA       CYS  52   2.814   4.652   7.734
  363   1HB   CYS  52          HB2       CYS  52   0.876   3.897   6.456
  364   2HB   CYS  52          HB3       CYS  52   1.920   2.786   5.539
  365    H    HIS  53           HN       HIS  53   4.227   3.237   4.720
  366    HA   HIS  53           HA       HIS  53   5.983   1.463   6.040
  367   1HB   HIS  53          HB2       HIS  53   6.344   2.938   3.424
  368   2HB   HIS  53          HB3       HIS  53   7.340   1.602   3.957
  369    HD1  HIS  53           HND      HIS  53   6.350   0.513   1.546
  370    HD2  HIS  53           HD       HIS  53   4.002   0.520   5.011
  371    HE1  HIS  53           HE       HIS  53   4.659  -1.390   1.310
  372    H    LYS  54           H        LYS  54   6.351   4.999   5.935
  373    HA   LYS  54           HA       LYS  54   9.105   4.686   6.953
  374   1HB   LYS  54          HB2       LYS  54   7.673   7.238   6.370
  375   2HB   LYS  54          HB3       LYS  54   9.262   6.997   7.034
  376   1HG   LYS  54          HG2       LYS  54   9.911   7.073   4.936
  377   2HG   LYS  54          HG3       LYS  54   9.437   5.342   4.890
  378   1HD   LYS  54          HD2       LYS  54   7.963   5.670   3.402
  379   2HD   LYS  54          HD3       LYS  54   7.101   6.820   4.406
  380   1HE   LYS  54          HE2       LYS  54   9.451   7.683   2.658
  381   2HE   LYS  54          HE3       LYS  54   7.796   7.641   2.044
  382   1HZ   LYS  54          HZ1       LYS  54   7.117   9.167   3.726
  383   2HZ   LYS  54          HZ2       LYS  54   8.617   9.202   4.399
  384   3HZ   LYS  54          HZ3       LYS  54   8.370   9.817   2.891
  385    H    SER  55           H        SER  55   5.862   5.795   7.976
  386    HA   SER  55           HA       SER  55   6.637   6.648  10.621
  387   1HB   SER  55          HB2       SER  55   4.641   7.493   9.386
  388   2HB   SER  55          HB3       SER  55   3.879   5.901   9.577
  389    HG   SER  55           HG       SER  55   4.417   6.295  11.951
  390    H    ASN  56           H        ASN  56   5.973   3.514   9.288
  391    HA   ASN  56           HA       ASN  56   6.562   2.313  11.935
  392   1HB   ASN  56          HB2       ASN  56   4.520   1.467   9.831
  393   2HB   ASN  56          HB3       ASN  56   5.350   0.253  10.803
  394   1HD2  ASN  56          HD2       ASN  56   4.663   3.293  12.500
  395   2HD2  ASN  56          HD2       ASN  56   3.324   2.588  13.397
  396    H    ASN  57           H        ASN  57   7.525   0.149  11.438
  397    HA   ASN  57           HA       ASN  57   9.960   0.637   9.954
  398   1HB   ASN  57          HB2       ASN  57  10.559  -1.691  10.772
  399   2HB   ASN  57          HB3       ASN  57  10.197  -0.476  11.993
  400   1HD2  ASN  57          HD2       ASN  57   8.421  -0.739  13.396
  401   2HD2  ASN  57          HD2       ASN  57   7.432  -2.193  13.332
  402    H    GLY  58           H        GLY  58   8.550   0.959   7.875
  403   1HA   GLY  58          HA2       GLY  58   8.452  -1.599   6.313
  404   2HA   GLY  58          HA3       GLY  58   7.693  -0.071   5.883
  405    HA   PRO  59           HA       PRO  59  11.896  -0.676   3.939
  406   1HB   PRO  59          HB2       PRO  59  11.294  -1.203   1.344
  407   2HB   PRO  59          HB3       PRO  59  11.101  -2.419   2.640
  408   1HG   PRO  59          HG2       PRO  59   8.955  -0.559   1.542
  409   2HG   PRO  59          HG3       PRO  59   8.906  -2.336   1.628
  410   1HD   PRO  59          HD2       PRO  59   7.807  -0.866   3.616
  411   2HD   PRO  59          HD3       PRO  59   8.794  -2.293   4.029
  412    H    THR  60           H        THR  60  13.170   0.838   3.071
  413    HA   THR  60           HA       THR  60  12.014   3.230   1.698
  414    HB   THR  60           HB       THR  60  13.094   3.663   3.845
  415    HG1  THR  60           HG1      THR  60  13.154   5.275   2.306
  416   1HG2  THR  60          HG2       THR  60  15.701   2.737   2.568
  417   2HG2  THR  60          HG2       THR  60  15.501   3.554   4.118
  418   3HG2  THR  60          HG2       THR  60  14.847   1.925   3.899
  419    H    LYS  61           H        LYS  61  12.143   0.970   0.180
  420    HA   LYS  61           HA       LYS  61  14.140   1.694  -1.860
  421   1HB   LYS  61          HB2       LYS  61  15.179  -0.455  -1.952
  422   2HB   LYS  61          HB3       LYS  61  15.200   0.033  -0.257
  423   1HG   LYS  61          HG2       LYS  61  12.861  -1.324  -0.252
  424   2HG   LYS  61          HG3       LYS  61  13.620  -2.121  -1.639
  425   1HD   LYS  61          HD2       LYS  61  15.544  -2.748  -0.187
  426   2HD   LYS  61          HD3       LYS  61  14.766  -1.913   1.177
  427   1HE   LYS  61          HE2       LYS  61  12.718  -3.421   0.832
  428   2HE   LYS  61          HE3       LYS  61  13.645  -4.316  -0.374
  429   1HZ   LYS  61          HZ1       LYS  61  15.196  -4.910   1.376
  430   2HZ   LYS  61          HZ2       LYS  61  14.344  -4.033   2.482
  431   3HZ   LYS  61          HZ3       LYS  61  13.658  -5.346   1.785
  432    H    CYS  62           HN       CYS  62  13.522   1.046  -3.980
  433    HA   CYS  62           HA       CYS  62  10.765   0.744  -4.519
  434   1HB   CYS  62          HB2       CYS  62  12.956  -0.205  -6.359
  435   2HB   CYS  62          HB3       CYS  62  11.373   0.448  -6.786
  436    H    GLY  63           H        GLY  63  13.326  -1.694  -4.554
  437   1HA   GLY  63          HA2       GLY  63  12.044  -3.975  -5.351
  438   2HA   GLY  63          HA3       GLY  63  13.374  -3.939  -4.200
  439    H    GLY  64           H        GLY  64  11.599  -2.426  -2.201
  440   1HA   GLY  64          HA2       GLY  64  10.614  -4.743  -0.750
  441   2HA   GLY  64          HA3       GLY  64  10.369  -3.037  -0.340
  442    H    CYS  65           HN       CYS  65   9.254  -2.440  -3.043
  443    HA   CYS  65           HA       CYS  65   6.483  -3.551  -2.675
  444   1HB   CYS  65          HB2       CYS  65   7.565  -0.995  -3.850
  445   2HB   CYS  65          HB3       CYS  65   5.935  -1.577  -4.158
  446    H    HIS  66           HN       HIS  66   8.755  -2.508  -5.286
  447    HA   HIS  66           HA       HIS  66   7.186  -4.015  -7.253
  448   1HB   HIS  66          HB2       HIS  66   9.760  -2.423  -7.499
  449   2HB   HIS  66          HB3       HIS  66   8.931  -3.186  -8.813
  450    HD1  HIS  66           HND      HIS  66   6.825  -2.189  -9.772
  451    HD2  HIS  66           HD       HIS  66   8.480  -0.125  -6.533
  452    HE1  HIS  66           HE       HIS  66   5.655   0.086  -9.695
  453    H    ILE  67           H        ILE  67   7.467  -6.201  -7.527
  454    HA   ILE  67           HA       ILE  67   9.689  -7.736  -6.664
  455    HB   ILE  67           HB       ILE  67   7.968  -8.219  -9.124
  456   1HG1  ILE  67          HG1       ILE  67   6.525  -8.043  -7.186
  457   2HG1  ILE  67          HG1       ILE  67   6.635  -9.712  -7.713
  458   1HG2  ILE  67          HG2       ILE  67   9.798 -10.078  -7.554
  459   2HG2  ILE  67          HG2       ILE  67   8.576 -10.634  -8.716
  460   3HG2  ILE  67          HG2       ILE  67   9.919  -9.627  -9.263
  461   1HD1  ILE  67          HD1       ILE  67   8.250 -10.174  -5.845
  462   2HD1  ILE  67          HD1       ILE  67   8.059  -8.488  -5.303
  463   3HD1  ILE  67          HD1       ILE  67   6.677  -9.587  -5.286
  464    H    LYS  68           H        LYS  68  11.785  -7.973  -7.291
  465    HA   LYS  68           HA       LYS  68  12.798  -7.154  -9.877
  466   1HB   LYS  68          HB2       LYS  68  12.859  -5.456  -7.401
  467   2HB   LYS  68          HB3       LYS  68  14.419  -5.654  -8.170
  468   1HG   LYS  68          HG2       LYS  68  12.120  -4.884  -9.963
  469   2HG   LYS  68          HG3       LYS  68  12.699  -3.693  -8.803
  470   1HD   LYS  68          HD2       LYS  68  13.881  -3.384 -10.908
  471   2HD   LYS  68          HD3       LYS  68  14.996  -3.890  -9.627
  472   1HE   LYS  68          HE2       LYS  68  14.822  -6.264 -10.498
  473   2HE   LYS  68          HE3       LYS  68  13.822  -5.672 -11.829
  474   1HZ   LYS  68          HZ1       LYS  68  16.135  -5.929 -12.412
  475   2HZ   LYS  68          HZ2       LYS  68  15.753  -4.326 -12.479
  476   3HZ   LYS  68          HZ3       LYS  68  16.612  -4.926 -11.204
  477    HHA  HEC 130           HCM      HEC  30 -10.482  -0.742  -2.795
  478    HHB  HEC 130           HDM      HEC  30 -13.299  -2.991   2.338
  479    HHC  HEC 130           HAM      HEC  30  -7.669  -3.540   5.025
  480    HHD  HEC 130           HBM      HEC  30  -5.504   0.272   0.668
  481   1HMA  HEC 130          HM8       HEC  30 -14.674  -3.461   0.248
  482   2HMA  HEC 130          HM8       HEC  30 -14.968  -1.830   0.918
  483   3HMA  HEC 130          HM8       HEC  30 -15.139  -2.142  -0.817
  484   1HAA  HEC 130          HP7       HEC  30 -12.610  -0.743  -3.175
  485   2HAA  HEC 130          HP7       HEC  30 -14.141  -1.280  -2.585
  486   1HBA  HEC 130          HP7       HEC  30 -11.881  -2.938  -3.739
  487   2HBA  HEC 130          HP7       HEC  30 -13.529  -2.786  -4.345
  488   1HMB  HEC 130          HM1       HEC  30 -13.348  -4.812   4.111
  489   2HMB  HEC 130          HM1       HEC  30 -12.846  -4.444   5.767
  490   3HMB  HEC 130          HM1       HEC  30 -13.600  -3.188   4.797
  491    HAB  HEC 130           HT2      HEC  30  -8.993  -4.441   6.363
  492   1HBB  HEC 130          HT2       HEC  30 -10.158  -6.532   6.931
  493   2HBB  HEC 130          HT2       HEC  30 -11.384  -6.199   5.710
  494   3HBB  HEC 130          HT2       HEC  30  -9.709  -6.480   5.213
  495   1HMC  HEC 130          HM3       HEC  30  -5.476  -3.911   4.936
  496   2HMC  HEC 130          HM3       HEC  30  -4.092  -3.292   4.067
  497   3HMC  HEC 130          HM3       HEC  30  -4.749  -2.362   5.447
  498    HAC  HEC 130           HT4      HEC  30  -4.323   0.537   2.296
  499   1HBC  HEC 130          HT4       HEC  30  -2.756  -1.912   3.059
  500   2HBC  HEC 130          HT4       HEC  30  -3.047  -1.224   1.432
  501   3HBC  HEC 130          HT4       HEC  30  -2.157  -0.296   2.658
  502   1HMD  HEC 130          HM5       HEC  30  -5.693   1.518  -2.717
  503   2HMD  HEC 130          HM5       HEC  30  -5.706   2.145  -1.065
  504   3HMD  HEC 130          HM5       HEC  30  -4.859   0.628  -1.413
  505   1HAD  HEC 130          HP6       HEC  30  -7.544   1.407  -3.911
  506   2HAD  HEC 130          HP6       HEC  30  -9.197   0.881  -3.876
  507   1HBD  HEC 130          HP6       HEC  30  -8.533  -1.433  -4.358
  508   2HBD  HEC 130          HP6       HEC  30  -6.848  -0.923  -4.439
  509    HHA  HEC 153           HCM      HEC  53   6.139  -4.477   4.770
  510    HHB  HEC 153           HDM      HEC  53   2.647  -4.091  -0.351
  511    HHC  HEC 153           HAM      HEC  53  -0.258   0.771   2.189
  512    HHD  HEC 153           HBM      HEC  53   2.006  -0.850   7.742
  513   1HMA  HEC 153          HM8       HEC  53   3.867  -6.373  -0.205
  514   2HMA  HEC 153          HM8       HEC  53   4.811  -5.033  -0.911
  515   3HMA  HEC 153          HM8       HEC  53   5.633  -6.342  -0.071
  516   1HAA  HEC 153          HP7       HEC  53   6.818  -6.497   1.702
  517   2HAA  HEC 153          HP7       HEC  53   6.800  -6.195   3.418
  518   1HBA  HEC 153          HP7       HEC  53   7.905  -4.058   3.104
  519   2HBA  HEC 153          HP7       HEC  53   7.746  -4.188   1.355
  520   1HMB  HEC 153          HM1       HEC  53   0.423  -2.631  -2.145
  521   2HMB  HEC 153          HM1       HEC  53   1.440  -1.193  -2.358
  522   3HMB  HEC 153          HM1       HEC  53   2.179  -2.739  -2.017
  523    HAB  HEC 153           HT2      HEC  53  -1.430  -0.108   0.190
  524   1HBB  HEC 153          HT2       HEC  53  -1.716   0.642  -2.016
  525   2HBB  HEC 153          HT2       HEC  53  -0.042   0.358  -2.444
  526   3HBB  HEC 153          HT2       HEC  53  -1.127  -1.022  -2.036
  527   1HMC  HEC 153          HM3       HEC  53  -1.906   1.786   5.156
  528   2HMC  HEC 153          HM3       HEC  53  -0.597   2.907   4.734
  529   3HMC  HEC 153          HM3       HEC  53  -1.401   1.932   3.506
  530    HAC  HEC 153           HT4      HEC  53   0.136   0.317   8.131
  531   1HBC  HEC 153          HT4       HEC  53  -1.113   2.257   8.642
  532   2HBC  HEC 153          HT4       HEC  53  -1.023   2.885   7.008
  533   3HBC  HEC 153          HT4       HEC  53  -1.936   1.404   7.339
  534   1HMD  HEC 153          HM5       HEC  53   3.197  -2.591   9.385
  535   2HMD  HEC 153          HM5       HEC  53   4.959  -2.429   9.432
  536   3HMD  HEC 153          HM5       HEC  53   3.961  -1.009   9.084
  537   1HAD  HEC 153          HP6       HEC  53   6.516  -3.644   8.305
  538   2HAD  HEC 153          HP6       HEC  53   6.697  -4.554   6.825
  539   1HBD  HEC 153          HP6       HEC  53   4.703  -4.997   9.039
  540   2HBD  HEC 153          HP6       HEC  53   5.896  -6.121   8.391
  541    HHA  HEC 166           HCM      HEC  66   3.375   2.360 -10.823
  542    HHB  HEC 166           HDM      HEC  66   9.501   3.317 -10.551
  543    HHC  HEC 166           HAM      HEC  66   9.358   2.621  -4.378
  544    HHD  HEC 166           HBM      HEC  66   3.481   0.685  -4.799
  545   1HMA  HEC 166          HM8       HEC  66   8.855   2.725 -12.809
  546   2HMA  HEC 166          HM8       HEC  66   7.527   3.446 -13.712
  547   3HMA  HEC 166          HM8       HEC  66   8.495   4.463 -12.635
  548   1HAA  HEC 166          HP7       HEC  66   5.369   4.130 -13.370
  549   2HAA  HEC 166          HP7       HEC  66   3.904   3.413 -12.691
  550   1HBA  HEC 166          HP7       HEC  66   4.308   1.338 -13.647
  551   2HBA  HEC 166          HP7       HEC  66   6.029   1.633 -13.876
  552   1HMB  HEC 166          HM1       HEC  66  11.714   2.741  -9.786
  553   2HMB  HEC 166          HM1       HEC  66  11.497   4.486  -9.502
  554   3HMB  HEC 166          HM1       HEC  66  12.567   3.530  -8.471
  555    HAB  HEC 166           HT2      HEC  66  11.338   3.091  -4.781
  556   1HBB  HEC 166          HT2       HEC  66  12.520   5.018  -6.796
  557   2HBB  HEC 166          HT2       HEC  66  11.371   5.431  -5.515
  558   3HBB  HEC 166          HT2       HEC  66  12.984   4.814  -5.104
  559   1HMC  HEC 166          HM3       HEC  66   7.396   1.552  -1.457
  560   2HMC  HEC 166          HM3       HEC  66   8.652   0.798  -2.450
  561   3HMC  HEC 166          HM3       HEC  66   8.577   2.569  -2.310
  562    HAC  HEC 166           HT4      HEC  66   4.256  -0.170  -3.041
  563   1HBC  HEC 166          HT4       HEC  66   5.201   1.769  -0.909
  564   2HBC  HEC 166          HT4       HEC  66   3.766   1.988  -1.925
  565   3HBC  HEC 166          HT4       HEC  66   3.868   0.608  -0.811
  566   1HMD  HEC 166          HM5       HEC  66   0.604   1.180  -6.173
  567   2HMD  HEC 166          HM5       HEC  66   0.800  -0.368  -7.017
  568   3HMD  HEC 166          HM5       HEC  66   1.630  -0.106  -5.498
  569   1HAD  HEC 166          HP6       HEC  66   0.545   2.344  -9.079
  570   2HAD  HEC 166          HP6       HEC  66   0.436   0.630  -8.900
  571   1HBD  HEC 166          HP6       HEC  66   0.159   0.605 -11.026
  572   2HBD  HEC 166          HP6       HEC  66   1.884   0.455 -11.035
  Start of MODEL   24
    1   1H    ALA   1          H1        ALA   1 -11.613  -9.847  -3.430
    2   2H    ALA   1          H2        ALA   1 -11.779  -8.396  -4.259
    3   3H    ALA   1          H3        ALA   1 -10.306  -9.076  -3.843
    4    HA   ALA   1           HA       ALA   1 -10.897  -7.171  -2.383
    5   1HB   ALA   1          HB1       ALA   1 -13.343  -7.470  -2.609
    6   2HB   ALA   1          HB2       ALA   1 -13.254  -8.957  -1.643
    7   3HB   ALA   1          HB3       ALA   1 -12.839  -7.388  -0.914
    8    H    ASP   2           H        ASP   2  -8.871  -8.753  -2.314
    9    HA   ASP   2           HA       ASP   2  -8.630 -10.416   0.098
   10   1HB   ASP   2          HB2       ASP   2  -8.385 -12.344  -1.785
   11   2HB   ASP   2          HB3       ASP   2  -9.939 -11.920  -1.063
   12    H    VAL   3           H        VAL   3  -7.383 -10.414  -3.219
   13    HA   VAL   3           HA       VAL   3  -4.658  -9.562  -2.354
   14    HB   VAL   3           HB       VAL   3  -5.163 -12.154  -3.880
   15   1HG1  VAL   3          HG1       VAL   3  -3.097 -10.945  -4.629
   16   2HG1  VAL   3          HG1       VAL   3  -2.575 -10.852  -2.931
   17   3HG1  VAL   3          HG1       VAL   3  -2.708 -12.422  -3.744
   18   1HG2  VAL   3          HG2       VAL   3  -4.021 -13.229  -1.939
   19   2HG2  VAL   3          HG2       VAL   3  -4.069 -11.683  -1.072
   20   3HG2  VAL   3          HG2       VAL   3  -5.580 -12.530  -1.493
   21    H    VAL   4           H        VAL   4  -4.751  -7.676  -3.527
   22    HA   VAL   4           HA       VAL   4  -5.605  -7.848  -6.401
   23    HB   VAL   4           HB       VAL   4  -5.519  -5.408  -4.629
   24   1HG1  VAL   4          HG1       VAL   4  -6.751  -4.367  -6.468
   25   2HG1  VAL   4          HG1       VAL   4  -5.209  -4.974  -7.091
   26   3HG1  VAL   4          HG1       VAL   4  -6.704  -5.875  -7.403
   27   1HG2  VAL   4          HG2       VAL   4  -7.825  -7.178  -5.527
   28   2HG2  VAL   4          HG2       VAL   4  -7.270  -6.930  -3.858
   29   3HG2  VAL   4          HG2       VAL   4  -7.996  -5.590  -4.756
   30    H    THR   5           H        THR   5  -3.854  -8.498  -7.439
   31    HA   THR   5           HA       THR   5  -1.215  -7.183  -7.078
   32    HB   THR   5           HB       THR   5  -2.170  -9.787  -8.300
   33    HG1  THR   5           HG1      THR   5  -0.140  -9.351  -6.390
   34   1HG2  THR   5          HG2       THR   5  -0.335  -9.046  -9.729
   35   2HG2  THR   5          HG2       THR   5   0.660  -8.690  -8.281
   36   3HG2  THR   5          HG2       THR   5   0.196 -10.354  -8.678
   37    H    TYR   6           H        TYR   6  -0.720  -5.550  -8.265
   38    HA   TYR   6           HA       TYR   6  -2.411  -4.638 -10.342
   39   1HB   TYR   6          HB2       TYR   6   0.025  -3.585  -8.912
   40   2HB   TYR   6          HB3       TYR   6  -0.378  -2.868 -10.423
   41    HD1  TYR   6           HD1      TYR   6  -2.528  -4.242  -7.621
   42    HD2  TYR   6           HD2      TYR   6  -1.574  -0.847 -10.094
   43    HE1  TYR   6           HE1      TYR   6  -4.265  -2.904  -6.464
   44    HE2  TYR   6           HE2      TYR   6  -3.295   0.493  -8.904
   45    HH   TYR   6           HH       TYR   6  -5.278  -0.897  -6.284
   46    H    GLU   7           H        GLU   7   0.955  -5.741 -10.630
   47    HA   GLU   7           HA       GLU   7   2.173  -6.444 -12.409
   48   1HB   GLU   7          HB2       GLU   7  -0.455  -6.907 -13.832
   49   2HB   GLU   7          HB3       GLU   7   1.092  -7.731 -14.064
   50   1HG   GLU   7          HG2       GLU   7   0.668  -8.016 -11.348
   51   2HG   GLU   7          HG3       GLU   7  -0.986  -8.080 -11.938
   52    H    ASN   8           H        ASN   8   2.924  -4.305 -12.378
   53    HA   ASN   8           HA       ASN   8   2.460  -2.684 -14.862
   54   1HB   ASN   8          HB2       ASN   8   3.216  -0.809 -13.532
   55   2HB   ASN   8          HB3       ASN   8   1.913  -1.594 -12.669
   56   1HD2  ASN   8          HD2       ASN   8   2.404  -2.779 -10.687
   57   2HD2  ASN   8          HD2       ASN   8   4.075  -2.912 -10.100
   58    H    ALA   9           H        ALA   9   4.583  -1.285 -15.278
   59    HA   ALA   9           HA       ALA   9   6.367  -3.285 -16.297
   60   1HB   ALA   9          HB1       ALA   9   5.863  -1.138 -17.365
   61   2HB   ALA   9          HB2       ALA   9   6.752  -0.293 -16.073
   62   3HB   ALA   9          HB3       ALA   9   7.618  -1.400 -17.169
   63    H    ALA  10           H        ALA  10   6.471  -1.592 -13.216
   64    HA   ALA  10           HA       ALA  10   9.383  -2.071 -12.882
   65   1HB   ALA  10          HB1       ALA  10   9.136  -0.684 -10.904
   66   2HB   ALA  10          HB2       ALA  10   8.382   0.100 -12.305
   67   3HB   ALA  10          HB3       ALA  10   7.369  -0.687 -11.077
   68    H    GLY  11           H        GLY  11   6.918  -4.160 -12.673
   69   1HA   GLY  11          HA2       GLY  11   7.240  -6.344 -11.500
   70   2HA   GLY  11          HA3       GLY  11   7.940  -5.491 -10.144
   71    H    ASN  12           H        ASN  12   5.553  -7.302 -10.340
   72    HA   ASN  12           HA       ASN  12   3.234  -5.564  -9.867
   73   1HB   ASN  12          HB2       ASN  12   1.938  -7.411  -9.463
   74   2HB   ASN  12          HB3       ASN  12   2.893  -7.755 -10.891
   75   1HD2  ASN  12          HD2       ASN  12   2.266 -10.061 -10.570
   76   2HD2  ASN  12          HD2       ASN  12   3.261 -10.952  -9.424
   77    H    VAL  13           H        VAL  13   2.116  -5.491  -7.877
   78    HA   VAL  13           HA       VAL  13   4.100  -5.015  -5.712
   79    HB   VAL  13           HB       VAL  13   2.959  -3.173  -7.066
   80   1HG1  VAL  13          HG1       VAL  13   0.625  -3.651  -5.171
   81   2HG1  VAL  13          HG1       VAL  13   0.735  -2.526  -6.538
   82   3HG1  VAL  13          HG1       VAL  13   0.622  -4.258  -6.836
   83   1HG2  VAL  13          HG2       VAL  13   2.783  -1.769  -5.002
   84   2HG2  VAL  13          HG2       VAL  13   2.874  -3.269  -4.051
   85   3HG2  VAL  13          HG2       VAL  13   4.233  -2.780  -5.076
   86    H    THR  14           H        THR  14   0.975  -6.506  -6.255
   87    HA   THR  14           HA       THR  14  -0.523  -7.560  -4.957
   88    HB   THR  14           HB       THR  14   2.008  -8.337  -3.517
   89    HG1  THR  14           HG1      THR  14   1.484 -10.205  -4.930
   90   1HG2  THR  14          HG2       THR  14   0.702 -10.383  -2.893
   91   2HG2  THR  14          HG2       THR  14   0.000  -8.952  -2.145
   92   3HG2  THR  14          HG2       THR  14  -0.754  -9.647  -3.597
   93    H    PHE  15           H        PHE  15  -1.771  -5.922  -4.286
   94    HA   PHE  15           HA       PHE  15  -1.524  -4.886  -1.510
   95   1HB   PHE  15          HB2       PHE  15  -3.756  -4.924  -3.551
   96   2HB   PHE  15          HB3       PHE  15  -3.975  -4.361  -1.906
   97    HD1  PHE  15           HD1      PHE  15  -3.490  -2.158  -1.301
   98    HD2  PHE  15           HD2      PHE  15  -1.979  -3.745  -5.010
   99    HE1  PHE  15           HE1      PHE  15  -2.876   0.130  -2.046
  100    HE2  PHE  15           HE2      PHE  15  -1.390  -1.448  -5.754
  101    HZ   PHE  15           HZ       PHE  15  -1.907   0.485  -4.274
  102    H    ASP  16           H        ASP  16  -1.374  -6.629  -0.056
  103    HA   ASP  16           HA       ASP  16  -3.027  -8.985  -0.384
  104   1HB   ASP  16          HB2       ASP  16  -1.682  -8.415   2.227
  105   2HB   ASP  16          HB3       ASP  16  -1.717  -9.892   1.246
  106    H    HIS  17           HN       HIS  17  -5.027  -7.774  -0.568
  107    HA   HIS  17           HA       HIS  17  -5.933  -5.771   1.120
  108   1HB   HIS  17          HB2       HIS  17  -6.922  -7.146  -1.120
  109   2HB   HIS  17          HB3       HIS  17  -8.095  -7.534   0.147
  110    HD1  HIS  17           HND      HIS  17  -7.996  -5.206  -2.502
  111    HD2  HIS  17           HD       HIS  17  -8.299  -4.831   1.674
  112    HE1  HIS  17           HE       HIS  17  -8.988  -2.991  -2.089
  113    H    LYS  18           H        LYS  18  -6.366  -9.255   1.360
  114    HA   LYS  18           HA       LYS  18  -7.619  -9.154   3.980
  115   1HB   LYS  18          HB2       LYS  18  -7.952 -10.954   2.298
  116   2HB   LYS  18          HB3       LYS  18  -6.309 -11.534   2.602
  117   1HG   LYS  18          HG2       LYS  18  -6.770 -11.879   4.962
  118   2HG   LYS  18          HG3       LYS  18  -8.358 -11.105   4.819
  119   1HD   LYS  18          HD2       LYS  18  -9.273 -12.965   3.604
  120   2HD   LYS  18          HD3       LYS  18  -7.667 -13.639   3.293
  121   1HE   LYS  18          HE2       LYS  18  -8.800 -14.913   5.110
  122   2HE   LYS  18          HE3       LYS  18  -7.305 -14.135   5.638
  123   1HZ   LYS  18          HZ1       LYS  18  -8.796 -12.273   6.456
  124   2HZ   LYS  18          HZ2       LYS  18 -10.044 -13.366   6.398
  125   3HZ   LYS  18          HZ3       LYS  18  -8.650 -13.561   7.318
  126    H    ALA  19           H        ALA  19  -4.291 -10.348   2.994
  127    HA   ALA  19           HA       ALA  19  -3.587 -10.993   5.628
  128   1HB   ALA  19          HB1       ALA  19  -1.370 -11.291   4.860
  129   2HB   ALA  19          HB2       ALA  19  -2.422 -11.726   3.492
  130   3HB   ALA  19          HB3       ALA  19  -1.582 -10.151   3.535
  131    H    HIS  20           HN       HIS  20  -3.028  -7.866   3.942
  132    HA   HIS  20           HA       HIS  20  -1.599  -6.628   6.114
  133   1HB   HIS  20          HB2       HIS  20  -3.328  -5.579   3.849
  134   2HB   HIS  20          HB3       HIS  20  -2.852  -4.556   5.185
  135    HD1  HIS  20           HND      HIS  20  -1.114  -6.287   2.158
  136    HD2  HIS  20           HD       HIS  20  -0.475  -3.477   5.249
  137    HE1  HIS  20           HE       HIS  20   0.818  -4.900   1.475
  138    H    ALA  21           H        ALA  21  -5.102  -6.748   5.286
  139    HA   ALA  21           HA       ALA  21  -6.099  -5.259   7.454
  140   1HB   ALA  21          HB1       ALA  21  -8.219  -6.257   6.985
  141   2HB   ALA  21          HB2       ALA  21  -7.393  -5.840   5.459
  142   3HB   ALA  21          HB3       ALA  21  -7.498  -7.530   6.002
  143    H    GLU  22           H        GLU  22  -5.547  -8.817   7.278
  144    HA   GLU  22           HA       GLU  22  -6.657  -9.661   9.655
  145   1HB   GLU  22          HB2       GLU  22  -3.911 -10.471   8.618
  146   2HB   GLU  22          HB3       GLU  22  -4.904 -11.384   9.749
  147   1HG   GLU  22          HG2       GLU  22  -5.487 -10.912   6.827
  148   2HG   GLU  22          HG3       GLU  22  -5.029 -12.417   7.598
  149    H    LYS  23           H        LYS  23  -3.611  -7.836   9.318
  150    HA   LYS  23           HA       LYS  23  -3.209  -7.752  12.268
  151   1HB   LYS  23          HB2       LYS  23  -1.537  -7.032   9.832
  152   2HB   LYS  23          HB3       LYS  23  -1.106  -6.542  11.475
  153   1HG   LYS  23          HG2       LYS  23  -1.082  -8.863  12.234
  154   2HG   LYS  23          HG3       LYS  23  -1.604  -9.436  10.637
  155   1HD   LYS  23          HD2       LYS  23   0.449  -8.732   9.599
  156   2HD   LYS  23          HD3       LYS  23   0.952  -7.819  11.031
  157   1HE   LYS  23          HE2       LYS  23   1.145  -9.896  12.345
  158   2HE   LYS  23          HE3       LYS  23   0.597 -10.857  10.955
  159   1HZ   LYS  23          HZ1       LYS  23   2.551 -10.162   9.747
  160   2HZ   LYS  23          HZ2       LYS  23   2.983  -9.113  10.815
  161   3HZ   LYS  23          HZ3       LYS  23   3.098 -10.733  11.208
  162    H    LEU  24           H        LEU  24  -3.772  -5.594   9.480
  163    HA   LEU  24           HA       LEU  24  -3.603  -3.161  11.044
  164   1HB   LEU  24          HB2       LEU  24  -4.519  -3.709   8.203
  165   2HB   LEU  24          HB3       LEU  24  -4.326  -2.136   8.950
  166    HG   LEU  24           HG       LEU  24  -2.107  -4.093   8.314
  167   1HD1  LEU  24          HD1       LEU  24  -2.712  -1.227   7.446
  168   2HD1  LEU  24          HD1       LEU  24  -1.349  -2.213   6.903
  169   3HD1  LEU  24          HD1       LEU  24  -3.009  -2.672   6.470
  170   1HD2  LEU  24          HD2       LEU  24  -1.973  -1.495   9.905
  171   2HD2  LEU  24          HD2       LEU  24  -1.466  -3.117  10.444
  172   3HD2  LEU  24          HD2       LEU  24  -0.572  -2.297   9.166
  173    H    GLY  25           H        GLY  25  -6.472  -4.910   9.790
  174   1HA   GLY  25          HA2       GLY  25  -8.583  -4.825  10.714
  175   2HA   GLY  25          HA3       GLY  25  -8.150  -3.438  11.699
  176    H    CYS  26           HN       CYS  26  -7.815  -3.461   8.208
  177    HA   CYS  26           HA       CYS  26  -8.704  -2.312   6.480
  178   1HB   CYS  26          HB2       CYS  26 -11.202  -1.995   8.092
  179   2HB   CYS  26          HB3       CYS  26 -11.040  -1.833   6.342
  180    H    ASP  27           H        ASP  27  -9.803  -0.703   9.463
  181    HA   ASP  27           HA       ASP  27 -10.181   1.900   8.651
  182   1HB   ASP  27          HB2       ASP  27  -9.865   2.438  11.008
  183   2HB   ASP  27          HB3       ASP  27 -10.801   0.951  10.825
  184    H    ALA  28           H        ALA  28  -7.182   0.461   9.806
  185    HA   ALA  28           HA       ALA  28  -5.247   2.362   9.670
  186   1HB   ALA  28          HB1       ALA  28  -3.719   0.550   9.009
  187   2HB   ALA  28          HB2       ALA  28  -4.975  -0.116  10.083
  188   3HB   ALA  28          HB3       ALA  28  -5.107  -0.327   8.315
  189    H    CYS  29           HN       CYS  29  -6.867   1.060   6.763
  190    HA   CYS  29           HA       CYS  29  -5.152   2.778   4.968
  191   1HB   CYS  29          HB2       CYS  29  -6.708   0.226   4.495
  192   2HB   CYS  29          HB3       CYS  29  -6.047   1.262   3.230
  193    H    HIS  30           HN       HIS  30  -8.143   2.731   6.509
  194    HA   HIS  30           HA       HIS  30  -9.611   4.136   4.344
  195   1HB   HIS  30          HB2       HIS  30 -10.230   1.414   5.570
  196   2HB   HIS  30          HB3       HIS  30 -11.432   2.394   4.772
  197    HD1  HIS  30           HND      HIS  30 -10.473   3.029   2.040
  198    HD2  HIS  30           HD       HIS  30  -9.514  -0.506   4.048
  199    HE1  HIS  30           HE       HIS  30 -10.169   1.203   0.236
  200    H    GLU  31           H        GLU  31  -9.406   5.905   5.778
  201    HA   GLU  31           HA       GLU  31 -10.605   5.813   8.310
  202   1HB   GLU  31          HB2       GLU  31  -9.947   8.109   6.442
  203   2HB   GLU  31          HB3       GLU  31 -10.489   8.334   8.117
  204   1HG   GLU  31          HG2       GLU  31  -8.549   6.977   8.924
  205   2HG   GLU  31          HG3       GLU  31  -7.946   6.871   7.261
  206    H    GLY  32           H        GLY  32 -12.593   4.655   7.673
  207   1HA   GLY  32          HA2       GLY  32 -14.885   5.246   8.353
  208   2HA   GLY  32          HA3       GLY  32 -14.877   6.584   7.207
  209    H    THR  33           H        THR  33 -15.318   6.146   4.971
  210    HA   THR  33           HA       THR  33 -16.665   3.612   4.477
  211    HB   THR  33           HB       THR  33 -17.095   4.657   2.231
  212    HG1  THR  33           HG1      THR  33 -16.523   6.758   1.978
  213   1HG2  THR  33          HG2       THR  33 -17.907   6.273   4.692
  214   2HG2  THR  33          HG2       THR  33 -18.721   6.285   3.117
  215   3HG2  THR  33          HG2       THR  33 -18.725   4.809   4.101
  216    HA   PRO  34           HA       PRO  34 -12.731   2.119   2.911
  217   1HB   PRO  34          HB2       PRO  34 -13.180  -0.519   2.799
  218   2HB   PRO  34          HB3       PRO  34 -13.272   0.337   4.357
  219   1HG   PRO  34          HG2       PRO  34 -15.617  -0.261   2.500
  220   2HG   PRO  34          HG3       PRO  34 -15.456  -0.744   4.221
  221   1HD   PRO  34          HD2       PRO  34 -16.745   1.524   3.497
  222   2HD   PRO  34          HD3       PRO  34 -15.686   1.482   4.940
  223    H    ALA  35           H        ALA  35 -13.718   3.538   0.978
  224    HA   ALA  35           HA       ALA  35 -14.632   1.884  -1.303
  225   1HB   ALA  35          HB1       ALA  35 -15.678   4.050  -0.752
  226   2HB   ALA  35          HB2       ALA  35 -14.136   4.878  -1.072
  227   3HB   ALA  35          HB3       ALA  35 -14.998   4.047  -2.388
  228    H    LYS  36           H        LYS  36 -13.753   2.529  -3.518
  229    HA   LYS  36           HA       LYS  36 -11.081   1.553  -3.615
  230   1HB   LYS  36          HB2       LYS  36 -11.247   1.613  -5.975
  231   2HB   LYS  36          HB3       LYS  36 -12.687   0.909  -5.236
  232   1HG   LYS  36          HG2       LYS  36 -13.860   3.154  -5.599
  233   2HG   LYS  36          HG3       LYS  36 -12.438   3.660  -6.528
  234   1HD   LYS  36          HD2       LYS  36 -12.712   1.671  -8.008
  235   2HD   LYS  36          HD3       LYS  36 -14.205   1.256  -7.139
  236   1HE   LYS  36          HE2       LYS  36 -15.175   3.479  -7.768
  237   2HE   LYS  36          HE3       LYS  36 -13.681   3.886  -8.627
  238   1HZ   LYS  36          HZ1       LYS  36 -15.357   3.068 -10.133
  239   2HZ   LYS  36          HZ2       LYS  36 -14.089   2.022 -10.098
  240   3HZ   LYS  36          HZ3       LYS  36 -15.483   1.650  -9.310
  241    H    ILE  37           H        ILE  37  -9.604   2.795  -2.690
  242    HA   ILE  37           HA       ILE  37  -9.193   5.607  -3.131
  243    HB   ILE  37           HB       ILE  37  -7.366   3.378  -2.182
  244   1HG1  ILE  37          HG1       ILE  37  -8.674   5.606  -0.569
  245   2HG1  ILE  37          HG1       ILE  37  -9.443   4.036  -0.813
  246   1HG2  ILE  37          HG2       ILE  37  -6.882   6.393  -2.147
  247   2HG2  ILE  37          HG2       ILE  37  -5.881   5.196  -1.303
  248   3HG2  ILE  37          HG2       ILE  37  -5.942   5.189  -3.056
  249   1HD1  ILE  37          HD1       ILE  37  -6.786   4.471   0.592
  250   2HD1  ILE  37          HD1       ILE  37  -8.339   4.014   1.298
  251   3HD1  ILE  37          HD1       ILE  37  -7.504   2.887   0.213
  252    H    ALA  38           H        ALA  38  -8.149   6.694  -4.798
  253    HA   ALA  38           HA       ALA  38  -7.351   5.188  -7.147
  254   1HB   ALA  38          HB1       ALA  38  -6.975   8.125  -6.544
  255   2HB   ALA  38          HB2       ALA  38  -6.724   7.272  -8.092
  256   3HB   ALA  38          HB3       ALA  38  -8.358   7.368  -7.388
  257    H    ILE  39           H        ILE  39  -5.714   3.949  -6.964
  258    HA   ILE  39           HA       ILE  39  -3.092   4.788  -5.850
  259    HB   ILE  39           HB       ILE  39  -4.193   2.177  -6.894
  260   1HG1  ILE  39          HG1       ILE  39  -5.093   2.807  -4.735
  261   2HG1  ILE  39          HG1       ILE  39  -4.035   1.428  -4.602
  262   1HG2  ILE  39          HG2       ILE  39  -2.164   1.053  -6.281
  263   2HG2  ILE  39          HG2       ILE  39  -1.782   2.278  -7.447
  264   3HG2  ILE  39          HG2       ILE  39  -1.401   2.566  -5.739
  265   1HD1  ILE  39          HD1       ILE  39  -2.220   3.017  -3.697
  266   2HD1  ILE  39          HD1       ILE  39  -3.430   4.313  -3.733
  267   3HD1  ILE  39          HD1       ILE  39  -3.672   2.915  -2.703
  268    H    ASP  40           H        ASP  40  -1.274   4.995  -7.004
  269    HA   ASP  40           HA       ASP  40  -0.865   4.503  -9.753
  270   1HB   ASP  40          HB2       ASP  40  -2.448   6.170 -10.343
  271   2HB   ASP  40          HB3       ASP  40  -2.117   7.151  -8.900
  272    H    LYS  41           H        LYS  41   0.921   6.038 -10.449
  273    HA   LYS  41           HA       LYS  41   3.140   5.764  -8.566
  274   1HB   LYS  41          HB2       LYS  41   4.474   6.768 -10.509
  275   2HB   LYS  41          HB3       LYS  41   3.853   5.135 -10.632
  276   1HG   LYS  41          HG2       LYS  41   2.232   7.386 -11.844
  277   2HG   LYS  41          HG3       LYS  41   3.709   6.833 -12.640
  278   1HD   LYS  41          HD2       LYS  41   2.763   4.431 -12.480
  279   2HD   LYS  41          HD3       LYS  41   1.254   5.125 -12.023
  280   1HE   LYS  41          HE2       LYS  41   0.869   4.872 -14.202
  281   2HE   LYS  41          HE3       LYS  41   1.477   6.530 -14.227
  282   1HZ   LYS  41          HZ1       LYS  41   2.508   5.104 -15.928
  283   2HZ   LYS  41          HZ2       LYS  41   3.662   5.545 -14.848
  284   3HZ   LYS  41          HZ3       LYS  41   3.047   4.032 -14.833
  285    H    LYS  42           H        LYS  42   0.769   8.179  -8.834
  286    HA   LYS  42           HA       LYS  42   2.521  10.072  -7.379
  287   1HB   LYS  42          HB2       LYS  42  -0.467  10.012  -7.944
  288   2HB   LYS  42          HB3       LYS  42   0.376  11.278  -7.047
  289   1HG   LYS  42          HG2       LYS  42   1.678  11.913  -8.990
  290   2HG   LYS  42          HG3       LYS  42   1.103  10.506  -9.905
  291   1HD   LYS  42          HD2       LYS  42  -1.196  11.292  -9.824
  292   2HD   LYS  42          HD3       LYS  42  -0.716  12.723  -8.877
  293   1HE   LYS  42          HE2       LYS  42   0.737  13.477 -10.759
  294   2HE   LYS  42          HE3       LYS  42   0.309  12.024 -11.680
  295   1HZ   LYS  42          HZ1       LYS  42  -1.971  12.763 -11.700
  296   2HZ   LYS  42          HZ2       LYS  42  -1.598  14.113 -10.837
  297   3HZ   LYS  42          HZ3       LYS  42  -1.004  13.920 -12.359
  298    H    SER  43           H        SER  43  -0.587   8.314  -6.582
  299    HA   SER  43           HA       SER  43  -0.508   9.067  -3.984
  300   1HB   SER  43          HB2       SER  43  -1.768   6.491  -4.988
  301   2HB   SER  43          HB3       SER  43  -2.332   7.513  -3.651
  302    HG   SER  43           HG       SER  43  -3.444   7.860  -5.684
  303    H    ALA  44           H        ALA  44   0.584   5.947  -5.216
  304    HA   ALA  44           HA       ALA  44   1.316   4.746  -2.701
  305   1HB   ALA  44          HB1       ALA  44   0.968   3.468  -4.780
  306   2HB   ALA  44          HB2       ALA  44   2.398   4.232  -5.506
  307   3HB   ALA  44          HB3       ALA  44   2.580   3.166  -4.096
  308    H    HIS  45           HN       HIS  45   3.009   6.884  -4.931
  309    HA   HIS  45           HA       HIS  45   5.600   6.648  -3.553
  310   1HB   HIS  45          HB2       HIS  45   4.725   8.295  -5.960
  311   2HB   HIS  45          HB3       HIS  45   6.384   7.992  -5.444
  312    HD1  HIS  45           HND      HIS  45   5.505   7.280  -8.310
  313    HD2  HIS  45           HD       HIS  45   5.542   4.675  -5.035
  314    HE1  HIS  45           HE       HIS  45   6.150   4.983  -9.232
  315    H    LYS  46           H        LYS  46   2.833   8.607  -3.337
  316    HA   LYS  46           HA       LYS  46   4.199  11.125  -2.574
  317   1HB   LYS  46          HB2       LYS  46   1.331  10.245  -2.946
  318   2HB   LYS  46          HB3       LYS  46   1.682  11.584  -1.865
  319   1HG   LYS  46          HG2       LYS  46   2.949  12.731  -3.746
  320   2HG   LYS  46          HG3       LYS  46   2.467  11.393  -4.783
  321   1HD   LYS  46          HD2       LYS  46   0.845  12.940  -5.295
  322   2HD   LYS  46          HD3       LYS  46   0.000  11.999  -4.075
  323   1HE   LYS  46          HE2       LYS  46   1.436  14.694  -3.687
  324   2HE   LYS  46          HE3       LYS  46  -0.307  14.472  -3.865
  325   1HZ   LYS  46          HZ1       LYS  46   0.229  14.720  -1.576
  326   2HZ   LYS  46          HZ2       LYS  46  -0.266  13.170  -1.809
  327   3HZ   LYS  46          HZ3       LYS  46   1.331  13.509  -1.616
  328    H    ASP  47           H        ASP  47   1.897   8.869  -1.045
  329    HA   ASP  47           HA       ASP  47   3.382   8.949   1.479
  330   1HB   ASP  47          HB2       ASP  47   2.106  11.112   1.450
  331   2HB   ASP  47          HB3       ASP  47   0.595  10.177   1.396
  332    H    ALA  48           H        ALA  48   0.328   7.954  -0.166
  333    HA   ALA  48           HA       ALA  48  -1.100   6.894   1.734
  334   1HB   ALA  48          HB1       ALA  48  -0.633   5.593  -0.999
  335   2HB   ALA  48          HB2       ALA  48  -2.059   5.341   0.033
  336   3HB   ALA  48          HB3       ALA  48  -1.724   6.944  -0.646
  337    H    CYS  49           HN       CYS  49   1.363   4.911   0.191
  338    HA   CYS  49           HA       CYS  49   1.045   2.785   2.287
  339   1HB   CYS  49          HB2       CYS  49   2.149   2.739  -0.540
  340   2HB   CYS  49          HB3       CYS  49   2.153   1.395   0.620
  341    H    LYS  50           H        LYS  50   3.574   4.469   0.395
  342    HA   LYS  50           HA       LYS  50   5.816   3.428   1.608
  343   1HB   LYS  50          HB2       LYS  50   6.925   5.523   0.992
  344   2HB   LYS  50          HB3       LYS  50   5.924   4.846  -0.300
  345   1HG   LYS  50          HG2       LYS  50   4.122   6.420   0.211
  346   2HG   LYS  50          HG3       LYS  50   5.037   7.142   1.537
  347   1HD   LYS  50          HD2       LYS  50   6.197   7.008  -1.263
  348   2HD   LYS  50          HD3       LYS  50   4.960   8.163  -0.781
  349   1HE   LYS  50          HE2       LYS  50   6.622   8.682   1.247
  350   2HE   LYS  50          HE3       LYS  50   7.811   7.997   0.123
  351   1HZ   LYS  50          HZ1       LYS  50   6.799   9.633  -1.523
  352   2HZ   LYS  50          HZ2       LYS  50   5.998  10.296  -0.267
  353   3HZ   LYS  50          HZ3       LYS  50   7.648  10.354  -0.282
  354    H    THR  51           H        THR  51   3.816   6.144   2.969
  355    HA   THR  51           HA       THR  51   5.798   6.718   4.970
  356    HB   THR  51           HB       THR  51   2.912   7.598   4.687
  357    HG1  THR  51           HG1      THR  51   4.009   9.424   3.918
  358   1HG2  THR  51          HG2       THR  51   3.590   9.439   6.213
  359   2HG2  THR  51          HG2       THR  51   3.612   7.882   7.055
  360   3HG2  THR  51          HG2       THR  51   5.139   8.625   6.518
  361    H    CYS  52           HN       CYS  52   2.730   4.846   5.147
  362    HA   CYS  52           HA       CYS  52   3.038   3.986   7.876
  363   1HB   CYS  52          HB2       CYS  52   1.010   3.611   6.541
  364   2HB   CYS  52          HB3       CYS  52   1.904   2.446   5.537
  365    H    HIS  53           HN       HIS  53   4.256   2.590   4.790
  366    HA   HIS  53           HA       HIS  53   5.871   0.564   5.996
  367   1HB   HIS  53          HB2       HIS  53   5.845   2.006   3.349
  368   2HB   HIS  53          HB3       HIS  53   7.193   0.962   3.741
  369    HD1  HIS  53           HND      HIS  53   6.981  -1.586   3.746
  370    HD2  HIS  53           HD       HIS  53   3.322   0.479   3.543
  371    HE1  HIS  53           HE       HIS  53   5.207  -3.310   3.568
  372    H    LYS  54           H        LYS  54   6.418   3.974   6.340
  373    HA   LYS  54           HA       LYS  54   9.328   3.575   6.725
  374   1HB   LYS  54          HB2       LYS  54   7.675   6.093   6.911
  375   2HB   LYS  54          HB3       LYS  54   9.395   5.845   7.242
  376   1HG   LYS  54          HG2       LYS  54   9.418   4.718   4.865
  377   2HG   LYS  54          HG3       LYS  54   7.997   5.719   4.636
  378   1HD   LYS  54          HD2       LYS  54   9.409   7.675   5.578
  379   2HD   LYS  54          HD3       LYS  54  10.777   6.533   5.556
  380   1HE   LYS  54          HE2       LYS  54  10.022   6.292   2.965
  381   2HE   LYS  54          HE3       LYS  54   9.312   7.885   3.272
  382   1HZ   LYS  54          HZ1       LYS  54  11.505   8.244   2.512
  383   2HZ   LYS  54          HZ2       LYS  54  11.643   8.442   4.146
  384   3HZ   LYS  54          HZ3       LYS  54  12.117   7.028   3.414
  385    H    SER  55           H        SER  55   6.425   4.830   8.385
  386    HA   SER  55           HA       SER  55   5.753   5.021  10.523
  387   1HB   SER  55          HB2       SER  55   5.997   2.606  10.728
  388   2HB   SER  55          HB3       SER  55   7.702   2.772  11.195
  389    HG   SER  55           HG       SER  55   6.237   2.652  13.013
  390    H    ASN  56           H        ASN  56   9.191   4.545  10.359
  391    HA   ASN  56           HA       ASN  56   9.762   7.354  10.890
  392   1HB   ASN  56          HB2       ASN  56  10.294   5.237  12.875
  393   2HB   ASN  56          HB3       ASN  56  11.788   6.035  12.363
  394   1HD2  ASN  56          HD2       ASN  56   8.413   7.280  12.973
  395   2HD2  ASN  56          HD2       ASN  56   8.987   8.489  14.121
  396    H    ASN  57           H        ASN  57  11.583   4.254  10.709
  397    HA   ASN  57           HA       ASN  57  12.497   4.906   7.966
  398   1HB   ASN  57          HB2       ASN  57  14.412   4.549  10.306
  399   2HB   ASN  57          HB3       ASN  57  14.875   4.509   8.599
  400   1HD2  ASN  57          HD2       ASN  57  14.216   6.617  11.285
  401   2HD2  ASN  57          HD2       ASN  57  14.389   8.099  10.353
  402    H    GLY  58           H        GLY  58  10.710   2.976   8.291
  403   1HA   GLY  58          HA2       GLY  58  11.877   0.340   8.239
  404   2HA   GLY  58          HA3       GLY  58  10.382   0.891   7.479
  405    HA   PRO  59           HA       PRO  59  13.533  -0.602   4.363
  406   1HB   PRO  59          HB2       PRO  59  11.710  -1.063   2.246
  407   2HB   PRO  59          HB3       PRO  59  12.243  -2.226   3.487
  408   1HG   PRO  59          HG2       PRO  59   9.782  -0.473   3.525
  409   2HG   PRO  59          HG3       PRO  59   9.900  -2.216   3.911
  410   1HD   PRO  59          HD2       PRO  59   9.820  -0.460   5.889
  411   2HD   PRO  59          HD3       PRO  59  11.055  -1.739   5.975
  412    H    THR  60           H        THR  60  11.054   1.826   3.617
  413    HA   THR  60           HA       THR  60  11.045   3.632   2.223
  414    HB   THR  60           HB       THR  60  12.191   4.377   4.246
  415    HG1  THR  60           HG1      THR  60  13.163   5.479   1.832
  416   1HG2  THR  60          HG2       THR  60  14.609   4.895   4.204
  417   2HG2  THR  60          HG2       THR  60  14.318   3.158   4.233
  418   3HG2  THR  60          HG2       THR  60  14.805   3.945   2.723
  419    H    LYS  61           H        LYS  61  11.849   1.382   0.662
  420    HA   LYS  61           HA       LYS  61  13.345   2.771  -1.504
  421   1HB   LYS  61          HB2       LYS  61  14.133   0.298  -0.004
  422   2HB   LYS  61          HB3       LYS  61  14.246   0.203  -1.764
  423   1HG   LYS  61          HG2       LYS  61  15.630   2.223  -1.847
  424   2HG   LYS  61          HG3       LYS  61  15.552   2.372  -0.078
  425   1HD   LYS  61          HD2       LYS  61  16.702   0.259   0.222
  426   2HD   LYS  61          HD3       LYS  61  16.577  -0.130  -1.506
  427   1HE   LYS  61          HE2       LYS  61  18.034   1.786  -2.083
  428   2HE   LYS  61          HE3       LYS  61  18.158   2.231  -0.373
  429   1HZ   LYS  61          HZ1       LYS  61  19.100  -0.315  -1.547
  430   2HZ   LYS  61          HZ2       LYS  61  20.060   0.949  -1.124
  431   3HZ   LYS  61          HZ3       LYS  61  19.239   0.119   0.033
  432    H    CYS  62           HN       CYS  62  12.901   2.171  -3.545
  433    HA   CYS  62           HA       CYS  62  10.338   1.600  -4.309
  434   1HB   CYS  62          HB2       CYS  62  12.695   0.705  -5.951
  435   2HB   CYS  62          HB3       CYS  62  11.179   1.378  -6.522
  436    H    GLY  63           H        GLY  63  13.009  -0.792  -4.246
  437   1HA   GLY  63          HA2       GLY  63  11.346  -3.005  -5.013
  438   2HA   GLY  63          HA3       GLY  63  12.985  -3.089  -4.368
  439    H    GLY  64           H        GLY  64  11.096  -1.393  -2.090
  440   1HA   GLY  64          HA2       GLY  64  10.580  -3.675  -0.346
  441   2HA   GLY  64          HA3       GLY  64  10.033  -2.003  -0.157
  442    H    CYS  65           HN       CYS  65   8.871  -1.926  -2.929
  443    HA   CYS  65           HA       CYS  65   6.276  -3.242  -2.161
  444   1HB   CYS  65          HB2       CYS  65   6.864  -0.844  -3.882
  445   2HB   CYS  65          HB3       CYS  65   5.256  -1.511  -3.525
  446    H    HIS  66           HN       HIS  66   7.617  -2.250  -5.286
  447    HA   HIS  66           HA       HIS  66   6.327  -4.327  -6.812
  448   1HB   HIS  66          HB2       HIS  66   8.802  -3.273  -7.983
  449   2HB   HIS  66          HB3       HIS  66   7.172  -3.253  -8.626
  450    HD1  HIS  66           HND      HIS  66   9.338  -1.397  -6.052
  451    HD2  HIS  66           HD       HIS  66   6.010  -0.773  -8.554
  452    HE1  HIS  66           HE       HIS  66   8.795   1.030  -5.932
  453    H    ILE  67           H        ILE  67   6.943  -6.453  -7.189
  454    HA   ILE  67           HA       ILE  67   9.070  -7.707  -5.840
  455    HB   ILE  67           HB       ILE  67   7.817  -8.521  -8.486
  456   1HG1  ILE  67          HG1       ILE  67   6.128  -8.344  -6.773
  457   2HG1  ILE  67          HG1       ILE  67   6.415 -10.020  -7.198
  458   1HG2  ILE  67          HG2       ILE  67   9.553 -10.105  -6.552
  459   2HG2  ILE  67          HG2       ILE  67   8.535 -10.847  -7.802
  460   3HG2  ILE  67          HG2       ILE  67   9.855  -9.778  -8.269
  461   1HD1  ILE  67          HD1       ILE  67   7.772 -10.288  -5.092
  462   2HD1  ILE  67          HD1       ILE  67   7.381  -8.603  -4.667
  463   3HD1  ILE  67          HD1       ILE  67   6.095  -9.805  -4.795
  464    H    LYS  68           H        LYS  68  11.159  -8.182  -6.187
  465    HA   LYS  68           HA       LYS  68  12.648  -7.912  -8.533
  466   1HB   LYS  68          HB2       LYS  68  14.055  -6.009  -7.963
  467   2HB   LYS  68          HB3       LYS  68  12.381  -5.507  -8.149
  468   1HG   LYS  68          HG2       LYS  68  12.705  -4.467  -6.230
  469   2HG   LYS  68          HG3       LYS  68  12.297  -6.020  -5.518
  470   1HD   LYS  68          HD2       LYS  68  15.181  -5.943  -6.041
  471   2HD   LYS  68          HD3       LYS  68  14.720  -4.440  -5.275
  472   1HE   LYS  68          HE2       LYS  68  15.342  -5.825  -3.499
  473   2HE   LYS  68          HE3       LYS  68  13.573  -5.840  -3.428
  474   1HZ   LYS  68          HZ1       LYS  68  13.566  -8.021  -4.356
  475   2HZ   LYS  68          HZ2       LYS  68  15.007  -7.916  -4.952
  476   3HZ   LYS  68          HZ3       LYS  68  14.832  -8.093  -3.297
  477    HHA  HEC 130           HCM      HEC  30 -10.493  -0.641  -3.174
  478    HHB  HEC 130           HDM      HEC  30 -13.425  -3.014   1.812
  479    HHC  HEC 130           HAM      HEC  30  -7.852  -3.707   4.583
  480    HHD  HEC 130           HBM      HEC  30  -5.417  -0.005   0.332
  481   1HMA  HEC 130          HM8       HEC  30 -14.991  -1.890   0.497
  482   2HMA  HEC 130          HM8       HEC  30 -15.164  -1.702  -1.245
  483   3HMA  HEC 130          HM8       HEC  30 -14.874  -3.327  -0.566
  484   1HAA  HEC 130          HP7       HEC  30 -12.227  -1.718  -3.885
  485   2HAA  HEC 130          HP7       HEC  30 -13.758  -1.047  -3.332
  486   1HBA  HEC 130          HP7       HEC  30 -13.907  -3.215  -4.553
  487   2HBA  HEC 130          HP7       HEC  30 -14.673  -3.235  -2.982
  488   1HMB  HEC 130          HM1       HEC  30 -13.502  -4.880   3.553
  489   2HMB  HEC 130          HM1       HEC  30 -13.064  -4.511   5.226
  490   3HMB  HEC 130          HM1       HEC  30 -13.803  -3.259   4.232
  491    HAB  HEC 130           HT2      HEC  30  -9.225  -4.597   5.863
  492   1HBB  HEC 130          HT2       HEC  30  -9.915  -6.576   4.595
  493   2HBB  HEC 130          HT2       HEC  30 -10.390  -6.727   6.301
  494   3HBB  HEC 130          HT2       HEC  30 -11.601  -6.322   5.082
  495   1HMC  HEC 130          HM3       HEC  30  -5.395  -4.228   4.200
  496   2HMC  HEC 130          HM3       HEC  30  -4.177  -2.957   4.209
  497   3HMC  HEC 130          HM3       HEC  30  -5.533  -2.848   5.348
  498    HAC  HEC 130           HT4      HEC  30  -4.377   0.356   2.085
  499   1HBC  HEC 130          HT4       HEC  30  -3.034  -1.272   1.102
  500   2HBC  HEC 130          HT4       HEC  30  -2.194  -0.556   2.488
  501   3HBC  HEC 130          HT4       HEC  30  -2.852  -2.194   2.622
  502   1HMD  HEC 130          HM5       HEC  30  -4.861   1.009  -1.378
  503   2HMD  HEC 130          HM5       HEC  30  -5.173   0.201  -2.918
  504   3HMD  HEC 130          HM5       HEC  30  -5.734   1.856  -2.655
  505   1HAD  HEC 130          HP6       HEC  30  -7.414   1.309  -4.242
  506   2HAD  HEC 130          HP6       HEC  30  -9.039   0.679  -4.377
  507   1HBD  HEC 130          HP6       HEC  30  -6.436  -0.870  -4.607
  508   2HBD  HEC 130          HP6       HEC  30  -7.548  -0.469  -5.916
  509    HHA  HEC 153           HCM      HEC  53   4.085  -6.389   4.785
  510    HHB  HEC 153           HDM      HEC  53   3.383  -3.674  -0.764
  511    HHC  HEC 153           HAM      HEC  53  -0.226   0.628   1.939
  512    HHD  HEC 153           HBM      HEC  53   1.729  -1.304   7.479
  513   1HMA  HEC 153          HM8       HEC  53   3.885  -6.061  -1.090
  514   2HMA  HEC 153          HM8       HEC  53   5.428  -5.220  -0.783
  515   3HMA  HEC 153          HM8       HEC  53   5.216  -6.898  -0.289
  516   1HAA  HEC 153          HP7       HEC  53   5.319  -7.916   1.670
  517   2HAA  HEC 153          HP7       HEC  53   5.025  -7.726   3.377
  518   1HBA  HEC 153          HP7       HEC  53   7.094  -6.240   1.721
  519   2HBA  HEC 153          HP7       HEC  53   7.399  -7.506   2.910
  520   1HMB  HEC 153          HM1       HEC  53   2.254  -0.661  -2.532
  521   2HMB  HEC 153          HM1       HEC  53   3.100  -2.129  -2.201
  522   3HMB  HEC 153          HM1       HEC  53   1.360  -2.201  -2.611
  523    HAB  HEC 153           HT2      HEC  53  -1.057  -0.083  -0.601
  524   1HBB  HEC 153          HT2       HEC  53   1.057   1.121  -2.418
  525   2HBB  HEC 153          HT2       HEC  53   0.067  -0.330  -2.799
  526   3HBB  HEC 153          HT2       HEC  53  -0.692   1.249  -2.550
  527   1HMC  HEC 153          HM3       HEC  53  -1.912   1.705   4.772
  528   2HMC  HEC 153          HM3       HEC  53  -0.442   2.693   4.626
  529   3HMC  HEC 153          HM3       HEC  53  -1.177   1.962   3.217
  530    HAC  HEC 153           HT4      HEC  53  -0.126  -0.090   7.818
  531   1HBC  HEC 153          HT4       HEC  53  -2.074   1.126   6.954
  532   2HBC  HEC 153          HT4       HEC  53  -1.321   1.862   8.368
  533   3HBC  HEC 153          HT4       HEC  53  -1.076   2.592   6.794
  534   1HMD  HEC 153          HM5       HEC  53   3.621  -2.689   9.095
  535   2HMD  HEC 153          HM5       HEC  53   1.858  -2.937   9.067
  536   3HMD  HEC 153          HM5       HEC  53   2.920  -4.295   9.383
  537   1HAD  HEC 153          HP6       HEC  53   4.276  -5.729   8.440
  538   2HAD  HEC 153          HP6       HEC  53   4.786  -6.415   6.917
  539   1HBD  HEC 153          HP6       HEC  53   2.676  -7.539   6.603
  540   2HBD  HEC 153          HP6       HEC  53   1.905  -6.589   7.875
  541    HHA  HEC 166           HCM      HEC  66   3.513   2.108 -10.450
  542    HHB  HEC 166           HDM      HEC  66   9.667   3.081 -10.230
  543    HHC  HEC 166           HAM      HEC  66   9.029   3.974  -4.077
  544    HHD  HEC 166           HBM      HEC  66   3.811   0.587  -4.428
  545   1HMA  HEC 166          HM8       HEC  66   7.749   2.720 -13.443
  546   2HMA  HEC 166          HM8       HEC  66   8.507   4.016 -12.505
  547   3HMA  HEC 166          HM8       HEC  66   9.145   2.355 -12.429
  548   1HAA  HEC 166          HP7       HEC  66   5.469   3.523 -13.229
  549   2HAA  HEC 166          HP7       HEC  66   4.083   2.834 -12.388
  550   1HBA  HEC 166          HP7       HEC  66   4.733   0.621 -12.895
  551   2HBA  HEC 166          HP7       HEC  66   6.179   1.148 -13.752
  552   1HMB  HEC 166          HM1       HEC  66  11.285   4.826  -9.450
  553   2HMB  HEC 166          HM1       HEC  66  12.389   4.525  -8.105
  554   3HMB  HEC 166          HM1       HEC  66  11.923   3.189  -9.152
  555    HAB  HEC 166           HT2      HEC  66  11.071   4.018  -4.445
  556   1HBB  HEC 166          HT2       HEC  66  12.271   5.973  -6.432
  557   2HBB  HEC 166          HT2       HEC  66  11.079   6.356  -5.179
  558   3HBB  HEC 166          HT2       HEC  66  12.695   5.782  -4.726
  559   1HMC  HEC 166          HM3       HEC  66   9.042   2.681  -2.275
  560   2HMC  HEC 166          HM3       HEC  66   7.705   3.527  -1.460
  561   3HMC  HEC 166          HM3       HEC  66   7.907   1.762  -1.327
  562    HAC  HEC 166           HT4      HEC  66   4.275   0.630  -2.398
  563   1HBC  HEC 166          HT4       HEC  66   4.413   1.332  -0.162
  564   2HBC  HEC 166          HT4       HEC  66   5.944   2.157  -0.405
  565   3HBC  HEC 166          HT4       HEC  66   4.483   2.782  -1.197
  566   1HMD  HEC 166          HM5       HEC  66   1.266  -0.439  -5.990
  567   2HMD  HEC 166          HM5       HEC  66   1.669   0.837  -4.821
  568   3HMD  HEC 166          HM5       HEC  66   0.614   1.186  -6.182
  569   1HAD  HEC 166          HP6       HEC  66   0.643   1.941  -8.813
  570   2HAD  HEC 166          HP6       HEC  66   0.742   0.266  -8.384
  571   1HBD  HEC 166          HP6       HEC  66   0.483  -0.024 -10.531
  572   2HBD  HEC 166          HP6       HEC  66   2.224  -0.018 -10.501
  Start of MODEL   25
    1   1H    ALA   1          H1        ALA   1 -10.651  -7.264   0.424
    2   2H    ALA   1          H2        ALA   1 -12.192  -7.647  -0.046
    3   3H    ALA   1          H3        ALA   1 -11.425  -8.503   1.154
    4    HA   ALA   1           HA       ALA   1 -11.507  -9.723  -0.934
    5   1HB   ALA   1          HB1       ALA   1 -11.251  -7.689  -2.377
    6   2HB   ALA   1          HB2       ALA   1  -9.562  -7.560  -1.845
    7   3HB   ALA   1          HB3       ALA   1 -10.098  -8.968  -2.779
    8    H    ASP   2           H        ASP   2  -9.156 -10.653  -1.849
    9    HA   ASP   2           HA       ASP   2  -7.699 -11.435   0.576
   10   1HB   ASP   2          HB2       ASP   2  -7.206 -13.411  -0.916
   11   2HB   ASP   2          HB3       ASP   2  -8.932 -13.115  -0.651
   12    H    VAL   3           H        VAL   3  -6.145 -11.971  -2.506
   13    HA   VAL   3           HA       VAL   3  -4.151  -9.812  -1.952
   14    HB   VAL   3           HB       VAL   3  -3.577 -12.607  -2.996
   15   1HG1  VAL   3          HG1       VAL   3  -1.202 -11.856  -2.869
   16   2HG1  VAL   3          HG1       VAL   3  -2.112 -10.904  -4.045
   17   3HG1  VAL   3          HG1       VAL   3  -1.745 -10.220  -2.447
   18   1HG2  VAL   3          HG2       VAL   3  -2.832 -11.264  -0.356
   19   2HG2  VAL   3          HG2       VAL   3  -3.952 -12.629  -0