*HEADER DE NOVO PROTEIN 21-AUG-08 SMS20043 *TITLE CYCLIC PSEUDOTETRAPEPTIDE L-PHE-D-TRP-L-LYS-D-THR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SOMATOSTATIN-14; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 109-112; *COMPND 5 SYNONYM: 14FDWKDT, GROWTH HORMONE RELEASE-INHIBITING FACTOR, *COMPND 6 SOMATOSTATIN-14; *COMPND 7 ENGINEERED: YES; *COMPND 8 OTHER_DETAILS: MODIFIED SOMATOSTATIN-14, RECEPTOR-SELECTIVE *COMPND 9 SOMATOSTATIN ANALOGUES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606; *SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS CYCLIC TETRAPEPTIDE, TRIAZOLE, CYCLIC PSEUDOTETRAPEPTIDE, SAR, *KEYWDS 2 SOMATOSTATIN, HORMONE/GROWTH FACTOR, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 23 *AUTHOR J.M.BEIERLE assign,,(resid,3,and name,HA,),,(resid,4,and name,HN,),,2.7,1.1,0.0 assign,,(resid,2,and name,HA,),,(resid,3,and name,HN,),,2.7,1.1,0.0 assign,,(resid,1,and name,HA,),,(resid,2,and name,HN,),,2.7,1.1,0.0 assign,,(resid,4,and name,HB,),,(resid,4,and name,HA,),,2.7,1.1,0.0 assign,,(resid,1,and name,HA,),,(resid,1,and name,HT5,),,2.7,1.1,0.0 assign,,(resid,2,and name,HB#,),,(resid,2,and name,HD1,),,2.7,1.1,0.0 assign,,(resid,2,and name,HB#,),,(resid,2,and name,HA,),,2.7,1.1,0.0 assign,,(resid,1,and name,HB#,),,(resid,1,and name,HA,),,2.7,1.1,0.0 assign,,(resid,3,and name,HB#,),,(resid,3,and name,HA,),,2.7,1.1,0.0 assign,,(resid,3,and name,HB#,),,(resid,3,and name,HA,),,2.7,1.1,0.0 assign,,(resid,2,and name,HB#,),,(resid,2,and name,HA,),,2.7,1.1,0.0 assign,,(resid,3,and name,HB#,),,(resid,3,and name,HN,),,2.7,1.1,0.0 assign,,(resid,4,and name,HB,),,(resid,4,and name,HG1,),,2.7,1.1,0.0 assign,,(resid,4,and name,HN,),,(resid,1,and name,HT5,),,2.7,1.1,0.0 assign,,(resid,1,and name,HT5,),,(resid,2,and name,HN,),,2.7,1.1,0.0 assign,,(resid,4,and name,HG2#,),,(resid,4,and name,HB,),,2.7,1.1,0.0 assign,,(resid,4,and name,HB,),,(resid,4,and name,HN,),,3.5,1.9,0.0 assign,,(resid,3,and name,HG#,),,(resid,3,and name,HA,),,3.5,1.9,0.0 assign,,(resid,4,and name,HA,),,(resid,4,and name,HN,),,3.5,1.9,0.0 assign,,(resid,3,and name,HA,),,(resid,3,and name,HN,),,3.5,1.9,0.0 assign,,(resid,2,and name,HB#,),,(resid,2,and name,HN,),,3.5,1.9,0.0 assign,,(resid,2,and name,HD1,),,(resid,2,and name,HE1,),,3.5,1.9,0.0 assign,,(resid,2,and name,HA,),,(resid,2,and name,HN,),,3.5,1.9,0.0 assign,,(resid,1,and name,HA,),,(resid,1,and name,HD#,),,3.5,1.9,0.0 assign,,(resid,4,and name,HG2#,),,(resid,4,and name,HA,),,3.5,1.9,0.0 assign,,(resid,1,and name,HB#,),,(resid,1,and name,HD#,),,3.5,1.9,0.0 assign,,(resid,2,and name,HB#,),,(resid,2,and name,HN,),,3.5,1.9,0.0 assign,,(resid,2,and name,HB#,),,(resid,2,and name,HD1,),,3.5,1.9,0.0 assign,,(resid,3,and name,HG#,),,(resid,3,and name,HB#,),,3.5,1.9,0.0 assign,,(resid,3,and name,HB#,),,(resid,3,and name,HN,),,3.5,1.9,0.0 assign,,(resid,3,and name,HE#,),,(resid,3,and name,HZ#,),,3.5,1.9,0.0 assign,,(resid,4,and name,HB,),,(resid,1,and name,HT5,),,3.5,1.9,0.0 assign,,(resid,3,and name,HG#,),,(resid,3,and name,HE#,),,3.5,1.9,0.0 assign,,(resid,4,and name,HA,),,(resid,1,and name,HT5,),,3.5,1.9,0.0 assign,,(resid,3,and name,HG#,),,(resid,3,and name,HN,),,3.5,1.9,0.0 assign,,(resid,4,and name,HG2#,),,(resid,4,and name,HN,),,4.5,2.9,0.0 assign,,(resid,4,and name,HG2#,),,(resid,4,and name,HG1,),,4.5,2.9,0.0 assign,,(resid,1,and name,HB#,),,(resid,1,and name,HT5,),,4.5,2.9,0.0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA UVR 1 HA UVR 1 5.803 -1.965 -1.499 2 HB1 UVR 1 HB1 UVR 1 4.139 -3.022 -0.056 3 HB2 UVR 1 HB2 UVR 1 3.592 -1.408 -0.478 4 HD1 UVR 1 HD1 UVR 1 6.064 -0.845 1.887 5 HD2 UVR 1 HD2 UVR 1 2.106 -2.380 1.546 6 HE1 UVR 1 HE1 UVR 1 5.670 -0.348 4.260 7 HE2 UVR 1 HE2 UVR 1 1.709 -1.883 3.921 8 HZ UVR 1 HZ UVR 1 3.492 -0.867 5.281 9 H DTR 2 HN DTR 2 7.320 -0.362 -1.914 10 HA DTR 2 HA DTR 2 6.826 2.287 -0.708 11 HB2 DTR 2 HB2 DTR 2 7.898 3.169 -2.829 12 HB3 DTR 2 HB1 DTR 2 7.854 1.530 -3.469 13 HD1 DTR 2 HD1 DTR 2 5.992 1.436 -5.215 14 HE1 DTR 2 HE1 DTR 2 3.557 2.254 -5.366 15 HZ2 DTR 2 HZ2 DTR 2 1.750 3.760 -3.807 16 HH2 DTR 2 HH2 DTR 2 1.647 4.954 -1.663 17 HZ3 DTR 2 HZ3 DTR 2 3.579 5.043 -0.172 18 HE3 DTR 2 HE3 DTR 2 5.698 3.941 -0.766 19 H LYS 3 HN LYS 3 8.173 1.485 0.997 20 HA LYS 3 HA LYS 3 11.049 1.242 0.395 21 HB2 LYS 3 HB2 LYS 3 11.518 2.271 2.528 22 HB3 LYS 3 HB1 LYS 3 10.363 3.301 1.699 23 HG2 LYS 3 HG2 LYS 3 9.243 3.289 3.616 24 HG3 LYS 3 HG1 LYS 3 8.718 1.676 3.141 25 HD2 LYS 3 HD2 LYS 3 9.955 0.682 4.734 26 HD3 LYS 3 HD1 LYS 3 11.339 1.738 4.444 27 HE2 LYS 3 HE2 LYS 3 10.350 1.971 6.715 28 HE3 LYS 3 HE1 LYS 3 10.381 3.471 5.789 29 HZ1 LYS 3 HZ1 LYS 3 7.962 1.894 5.524 30 HZ2 LYS 3 HZ2 LYS 3 8.153 3.564 5.704 31 HZ3 LYS 3 HZ3 LYS 3 8.226 2.555 7.060 32 HT5 UVR 4 HT5 UVR 4 8.572 -1.480 -0.630 33 HN UVR 4 HN UVR 4 10.881 -1.005 0.129 34 HA UVR 4 HA UVR 4 10.376 -2.622 2.493 35 HB UVR 4 HB UVR 4 10.317 -4.402 0.401 36 HG1 UVR 4 HG1 UVR 4 11.708 -4.894 1.942 37 HG21 UVR 4 HG21 UVR 4 12.081 -3.905 -1.148 38 HG22 UVR 4 HG22 UVR 4 12.345 -2.332 -0.395 39 HG23 UVR 4 HG23 UVR 4 10.838 -2.660 -1.251 Start of MODEL 2 1 HA UVR 1 HA UVR 1 5.865 -1.994 -1.490 2 HB1 UVR 1 HB1 UVR 1 4.245 -3.081 0.040 3 HB2 UVR 1 HB2 UVR 1 3.623 -1.569 -0.596 4 HD1 UVR 1 HD1 UVR 1 6.032 -0.846 1.893 5 HD2 UVR 1 HD2 UVR 1 2.003 -2.116 1.357 6 HE1 UVR 1 HE1 UVR 1 5.497 -0.103 4.173 7 HE2 UVR 1 HE2 UVR 1 1.464 -1.369 3.637 8 HZ UVR 1 HZ UVR 1 3.211 -0.362 5.048 9 H DTR 2 HN DTR 2 7.400 -0.336 -1.862 10 HA DTR 2 HA DTR 2 6.743 2.308 -0.722 11 HB2 DTR 2 HB2 DTR 2 8.004 1.730 -3.423 12 HB3 DTR 2 HB1 DTR 2 6.288 2.054 -3.195 13 HD1 DTR 2 HD1 DTR 2 5.634 4.582 -2.382 14 HE1 DTR 2 HE1 DTR 2 6.839 6.819 -2.789 15 HZ2 DTR 2 HZ2 DTR 2 9.404 7.709 -3.566 16 HH2 DTR 2 HH2 DTR 2 11.602 6.810 -4.195 17 HZ3 DTR 2 HZ3 DTR 2 12.014 4.404 -4.259 18 HE3 DTR 2 HE3 DTR 2 10.240 2.795 -3.697 19 H LYS 3 HN LYS 3 8.162 1.083 0.869 20 HA LYS 3 HA LYS 3 11.054 1.176 0.347 21 HB2 LYS 3 HB2 LYS 3 9.683 2.305 2.823 22 HB3 LYS 3 HB1 LYS 3 11.420 2.154 2.604 23 HG2 LYS 3 HG2 LYS 3 11.554 4.026 1.382 24 HG3 LYS 3 HG1 LYS 3 10.065 3.677 0.500 25 HD2 LYS 3 HD2 LYS 3 8.778 4.376 2.509 26 HD3 LYS 3 HD1 LYS 3 10.299 4.839 3.276 27 HE2 LYS 3 HE2 LYS 3 9.520 6.843 2.398 28 HE3 LYS 3 HE1 LYS 3 10.660 6.287 1.174 29 HZ1 LYS 3 HZ1 LYS 3 8.190 7.079 0.618 30 HZ2 LYS 3 HZ2 LYS 3 7.906 5.426 0.835 31 HZ3 LYS 3 HZ3 LYS 3 9.027 5.946 -0.319 32 HT5 UVR 4 HT5 UVR 4 8.608 -1.528 -0.603 33 HN UVR 4 HN UVR 4 10.860 -1.067 0.148 34 HA UVR 4 HA UVR 4 10.368 -2.602 2.573 35 HB UVR 4 HB UVR 4 10.310 -4.442 0.531 36 HG1 UVR 4 HG1 UVR 4 11.704 -4.947 2.042 37 HG21 UVR 4 HG21 UVR 4 12.328 -2.378 -0.308 38 HG22 UVR 4 HG22 UVR 4 10.852 -2.792 -1.181 39 HG23 UVR 4 HG23 UVR 4 12.133 -3.991 -0.994 Start of MODEL 3 1 HA UVR 1 HA UVR 1 5.877 -1.992 -1.495 2 HB1 UVR 1 HB1 UVR 1 4.236 -3.084 -0.011 3 HB2 UVR 1 HB2 UVR 1 3.630 -1.543 -0.595 4 HD1 UVR 1 HD1 UVR 1 2.028 -2.227 1.369 5 HD2 UVR 1 HD2 UVR 1 6.024 -0.848 1.890 6 HE1 UVR 1 HE1 UVR 1 1.495 -1.551 3.671 7 HE2 UVR 1 HE2 UVR 1 5.493 -0.173 4.191 8 HZ UVR 1 HZ UVR 1 3.226 -0.522 5.085 9 H DTR 2 HN DTR 2 7.399 -0.327 -1.868 10 HA DTR 2 HA DTR 2 6.737 2.311 -0.713 11 HB2 DTR 2 HB2 DTR 2 7.934 3.103 -2.910 12 HB3 DTR 2 HB1 DTR 2 7.571 1.481 -3.491 13 HD1 DTR 2 HD1 DTR 2 5.746 4.649 -2.241 14 HE1 DTR 2 HE1 DTR 2 3.389 4.674 -3.274 15 HZ2 DTR 2 HZ2 DTR 2 1.778 2.985 -4.864 16 HH2 DTR 2 HH2 DTR 2 1.858 0.790 -5.964 17 HZ3 DTR 2 HZ3 DTR 2 3.841 -0.627 -5.817 18 HE3 DTR 2 HE3 DTR 2 5.829 0.095 -4.562 19 H LYS 3 HN LYS 3 8.165 1.068 0.861 20 HA LYS 3 HA LYS 3 11.053 1.165 0.335 21 HB2 LYS 3 HB2 LYS 3 9.667 2.346 2.779 22 HB3 LYS 3 HB1 LYS 3 11.405 2.135 2.617 23 HG2 LYS 3 HG2 LYS 3 11.479 4.200 1.814 24 HG3 LYS 3 HG1 LYS 3 10.679 3.587 0.366 25 HD2 LYS 3 HD2 LYS 3 9.432 5.469 1.154 26 HD3 LYS 3 HD1 LYS 3 8.488 4.015 1.491 27 HE2 LYS 3 HE2 LYS 3 9.655 4.100 3.805 28 HE3 LYS 3 HE1 LYS 3 9.992 5.780 3.386 29 HZ1 LYS 3 HZ1 LYS 3 7.249 4.883 3.017 30 HZ2 LYS 3 HZ2 LYS 3 7.837 6.358 3.598 31 HZ3 LYS 3 HZ3 LYS 3 7.779 5.012 4.619 32 HT5 UVR 4 HT5 UVR 4 8.611 -1.514 -0.589 33 HN UVR 4 HN UVR 4 10.865 -1.079 0.153 34 HA UVR 4 HA UVR 4 10.361 -2.598 2.586 35 HB UVR 4 HB UVR 4 10.303 -4.433 0.519 36 HG1 UVR 4 HG1 UVR 4 11.667 -5.054 1.982 37 HG21 UVR 4 HG21 UVR 4 10.947 -2.829 -1.173 38 HG22 UVR 4 HG22 UVR 4 12.242 -3.995 -0.895 39 HG23 UVR 4 HG23 UVR 4 12.359 -2.368 -0.222 Start of MODEL 4 1 HA UVR 1 HA UVR 1 5.888 -1.981 -1.510 2 HB1 UVR 1 HB1 UVR 1 3.764 -1.115 -0.014 3 HB2 UVR 1 HB2 UVR 1 4.464 -2.309 1.072 4 HD1 UVR 1 HD1 UVR 1 5.231 -4.534 -0.345 5 HD2 UVR 1 HD2 UVR 1 2.025 -1.895 -1.272 6 HE1 UVR 1 HE1 UVR 1 4.117 -6.334 -1.598 7 HE2 UVR 1 HE2 UVR 1 0.905 -3.690 -2.527 8 HZ UVR 1 HZ UVR 1 1.951 -5.914 -2.692 9 H DTR 2 HN DTR 2 7.342 -0.294 -1.936 10 HA DTR 2 HA DTR 2 6.733 2.311 -0.682 11 HB2 DTR 2 HB2 DTR 2 6.212 2.248 -3.106 12 HB3 DTR 2 HB1 DTR 2 7.542 3.350 -2.766 13 HD1 DTR 2 HD1 DTR 2 6.957 -0.218 -4.132 14 HE1 DTR 2 HE1 DTR 2 8.877 -0.778 -5.754 15 HZ2 DTR 2 HZ2 DTR 2 11.283 0.403 -6.641 16 HH2 DTR 2 HH2 DTR 2 12.626 2.432 -6.301 17 HZ3 DTR 2 HZ3 DTR 2 11.907 4.180 -4.756 18 HE3 DTR 2 HE3 DTR 2 9.811 3.971 -3.485 19 H LYS 3 HN LYS 3 8.164 1.084 0.867 20 HA LYS 3 HA LYS 3 11.048 1.145 0.315 21 HB2 LYS 3 HB2 LYS 3 9.585 2.560 2.556 22 HB3 LYS 3 HB1 LYS 3 11.224 1.972 2.799 23 HG2 LYS 3 HG2 LYS 3 10.977 3.510 0.356 24 HG3 LYS 3 HG1 LYS 3 10.482 4.430 1.778 25 HD2 LYS 3 HD2 LYS 3 12.862 4.725 1.332 26 HD3 LYS 3 HD1 LYS 3 12.608 3.889 2.865 27 HE2 LYS 3 HE2 LYS 3 13.313 1.844 2.011 28 HE3 LYS 3 HE1 LYS 3 13.044 2.341 0.340 29 HZ1 LYS 3 HZ1 LYS 3 15.040 3.816 1.884 30 HZ2 LYS 3 HZ2 LYS 3 15.028 3.408 0.241 31 HZ3 LYS 3 HZ3 LYS 3 15.441 2.245 1.397 32 HT5 UVR 4 HT5 UVR 4 8.623 -1.517 -0.593 33 HN UVR 4 HN UVR 4 10.896 -1.107 0.170 34 HA UVR 4 HA UVR 4 10.357 -2.587 2.595 35 HB UVR 4 HB UVR 4 11.001 -3.405 -0.194 36 HG1 UVR 4 HG1 UVR 4 10.934 -5.569 0.551 37 HG21 UVR 4 HG21 UVR 4 12.499 -4.255 2.232 38 HG22 UVR 4 HG22 UVR 4 12.834 -2.715 1.439 39 HG23 UVR 4 HG23 UVR 4 13.030 -4.226 0.551 Start of MODEL 5 1 HA UVR 1 HA UVR 1 5.887 -1.981 -1.509 2 HB1 UVR 1 HB1 UVR 1 4.027 -1.178 0.647 3 HB2 UVR 1 HB2 UVR 1 4.448 -2.887 0.652 4 HD1 UVR 1 HD1 UVR 1 3.957 -0.560 -2.207 5 HD2 UVR 1 HD2 UVR 1 2.577 -4.000 -0.116 6 HE1 UVR 1 HE1 UVR 1 2.305 -0.973 -3.984 7 HE2 UVR 1 HE2 UVR 1 0.924 -4.420 -1.889 8 HZ UVR 1 HZ UVR 1 0.787 -2.906 -3.827 9 H DTR 2 HN DTR 2 7.343 -0.296 -1.932 10 HA DTR 2 HA DTR 2 6.734 2.313 -0.686 11 HB2 DTR 2 HB2 DTR 2 6.204 2.381 -3.055 12 HB3 DTR 2 HB1 DTR 2 7.689 3.292 -2.802 13 HD1 DTR 2 HD1 DTR 2 6.522 -0.144 -4.126 14 HE1 DTR 2 HE1 DTR 2 8.276 -0.993 -5.807 15 HZ2 DTR 2 HZ2 DTR 2 10.811 -0.206 -6.770 16 HH2 DTR 2 HH2 DTR 2 12.470 1.581 -6.474 17 HZ3 DTR 2 HZ3 DTR 2 12.086 3.415 -4.909 18 HE3 DTR 2 HE3 DTR 2 10.025 3.537 -3.570 19 H LYS 3 HN LYS 3 8.163 1.091 0.870 20 HA LYS 3 HA LYS 3 11.048 1.146 0.316 21 HB2 LYS 3 HB2 LYS 3 9.718 2.316 2.796 22 HB3 LYS 3 HB1 LYS 3 11.452 2.127 2.569 23 HG2 LYS 3 HG2 LYS 3 11.007 3.612 0.448 24 HG3 LYS 3 HG1 LYS 3 9.582 4.101 1.366 25 HD2 LYS 3 HD2 LYS 3 11.441 4.312 3.288 26 HD3 LYS 3 HD1 LYS 3 12.447 4.631 1.873 27 HE2 LYS 3 HE2 LYS 3 11.374 6.581 1.378 28 HE3 LYS 3 HE1 LYS 3 9.839 6.034 2.052 29 HZ1 LYS 3 HZ1 LYS 3 12.139 6.573 3.815 30 HZ2 LYS 3 HZ2 LYS 3 10.491 6.574 4.190 31 HZ3 LYS 3 HZ3 LYS 3 11.152 7.840 3.285 32 HT5 UVR 4 HT5 UVR 4 8.622 -1.518 -0.596 33 HN UVR 4 HN UVR 4 10.899 -1.105 0.171 34 HA UVR 4 HA UVR 4 10.357 -2.588 2.593 35 HB UVR 4 HB UVR 4 10.997 -3.405 -0.196 36 HG1 UVR 4 HG1 UVR 4 10.760 -5.519 0.366 37 HG21 UVR 4 HG21 UVR 4 12.783 -4.737 1.234 38 HG22 UVR 4 HG22 UVR 4 12.521 -3.369 2.315 39 HG23 UVR 4 HG23 UVR 4 13.056 -3.094 0.658 Start of MODEL 6 1 HA UVR 1 HA UVR 1 5.863 -1.989 -1.495 2 HB1 UVR 1 HB1 UVR 1 4.254 -3.082 0.064 3 HB2 UVR 1 HB2 UVR 1 3.621 -1.591 -0.613 4 HD1 UVR 1 HD1 UVR 1 1.977 -2.022 1.313 5 HD2 UVR 1 HD2 UVR 1 6.032 -0.867 1.903 6 HE1 UVR 1 HE1 UVR 1 1.421 -1.224 3.571 7 HE2 UVR 1 HE2 UVR 1 5.481 -0.071 4.160 8 HZ UVR 1 HZ UVR 1 3.173 -0.248 4.998 9 H DTR 2 HN DTR 2 7.390 -0.335 -1.868 10 HA DTR 2 HA DTR 2 6.755 2.304 -0.705 11 HB2 DTR 2 HB2 DTR 2 7.648 3.269 -2.820 12 HB3 DTR 2 HB1 DTR 2 7.884 1.642 -3.450 13 HD1 DTR 2 HD1 DTR 2 6.003 0.864 -4.988 14 HE1 DTR 2 HE1 DTR 2 3.511 1.423 -5.295 15 HZ2 DTR 2 HZ2 DTR 2 1.564 3.065 -4.075 16 HH2 DTR 2 HH2 DTR 2 1.336 4.668 -2.228 17 HZ3 DTR 2 HZ3 DTR 2 3.235 5.228 -0.799 18 HE3 DTR 2 HE3 DTR 2 5.444 4.208 -1.161 19 H LYS 3 HN LYS 3 8.165 1.149 0.899 20 HA LYS 3 HA LYS 3 11.047 1.173 0.339 21 HB2 LYS 3 HB2 LYS 3 11.217 3.040 1.661 22 HB3 LYS 3 HB1 LYS 3 9.568 2.877 2.241 23 HG2 LYS 3 HG2 LYS 3 11.219 2.775 4.045 24 HG3 LYS 3 HG1 LYS 3 10.273 1.292 3.918 25 HD2 LYS 3 HD2 LYS 3 12.076 0.049 3.396 26 HD3 LYS 3 HD1 LYS 3 12.743 1.293 2.337 27 HE2 LYS 3 HE2 LYS 3 12.891 1.245 5.349 28 HE3 LYS 3 HE1 LYS 3 14.213 0.893 4.236 29 HZ1 LYS 3 HZ1 LYS 3 14.667 3.056 4.570 30 HZ2 LYS 3 HZ2 LYS 3 13.087 3.450 5.025 31 HZ3 LYS 3 HZ3 LYS 3 13.482 3.304 3.387 32 HT5 UVR 4 HT5 UVR 4 8.610 -1.524 -0.607 33 HN UVR 4 HN UVR 4 10.904 -1.066 0.164 34 HA UVR 4 HA UVR 4 10.367 -2.609 2.568 35 HB UVR 4 HB UVR 4 10.306 -4.443 0.523 36 HG1 UVR 4 HG1 UVR 4 11.698 -4.947 2.039 37 HG21 UVR 4 HG21 UVR 4 12.330 -2.384 -0.313 38 HG22 UVR 4 HG22 UVR 4 10.852 -2.789 -1.186 39 HG23 UVR 4 HG23 UVR 4 12.127 -3.995 -1.003 Start of MODEL 7 1 HA UVR 1 HA UVR 1 5.874 -1.988 -1.496 2 HB1 UVR 1 HB1 UVR 1 4.330 -1.709 1.108 3 HB2 UVR 1 HB2 UVR 1 4.211 -3.048 -0.028 4 HD1 UVR 1 HD1 UVR 1 2.317 -0.601 1.129 5 HD2 UVR 1 HD2 UVR 1 3.977 -1.796 -2.602 6 HE1 UVR 1 HE1 UVR 1 0.496 0.563 -0.048 7 HE2 UVR 1 HE2 UVR 1 2.161 -0.634 -3.787 8 HZ UVR 1 HZ UVR 1 0.417 0.546 -2.510 9 H DTR 2 HN DTR 2 7.352 -0.313 -1.921 10 HA DTR 2 HA DTR 2 6.743 2.309 -0.704 11 HB2 DTR 2 HB2 DTR 2 7.607 3.308 -2.799 12 HB3 DTR 2 HB1 DTR 2 7.904 1.697 -3.445 13 HD1 DTR 2 HD1 DTR 2 5.936 0.527 -4.664 14 HE1 DTR 2 HE1 DTR 2 3.483 1.145 -5.135 15 HZ2 DTR 2 HZ2 DTR 2 1.624 3.114 -4.336 16 HH2 DTR 2 HH2 DTR 2 1.474 5.085 -2.878 17 HZ3 DTR 2 HZ3 DTR 2 3.389 5.832 -1.561 18 HE3 DTR 2 HE3 DTR 2 5.539 4.638 -1.650 19 H LYS 3 HN LYS 3 8.158 1.108 0.878 20 HA LYS 3 HA LYS 3 11.047 1.164 0.335 21 HB2 LYS 3 HB2 LYS 3 9.712 2.292 2.829 22 HB3 LYS 3 HB1 LYS 3 11.446 2.150 2.573 23 HG2 LYS 3 HG2 LYS 3 10.952 3.646 0.483 24 HG3 LYS 3 HG1 LYS 3 9.507 4.077 1.399 25 HD2 LYS 3 HD2 LYS 3 12.241 4.180 2.636 26 HD3 LYS 3 HD1 LYS 3 11.600 5.532 1.699 27 HE2 LYS 3 HE2 LYS 3 11.049 6.037 3.919 28 HE3 LYS 3 HE1 LYS 3 9.559 5.396 3.225 29 HZ1 LYS 3 HZ1 LYS 3 10.578 4.564 5.531 30 HZ2 LYS 3 HZ2 LYS 3 11.315 3.455 4.486 31 HZ3 LYS 3 HZ3 LYS 3 9.629 3.581 4.531 32 HT5 UVR 4 HT5 UVR 4 8.622 -1.577 -0.629 33 HN UVR 4 HN UVR 4 10.877 -1.085 0.157 34 HA UVR 4 HA UVR 4 10.378 -2.598 2.577 35 HB UVR 4 HB UVR 4 11.723 -3.114 0.162 36 HG1 UVR 4 HG1 UVR 4 10.715 -5.021 -0.561 37 HG21 UVR 4 HG21 UVR 4 11.321 -5.546 1.630 38 HG22 UVR 4 HG22 UVR 4 11.698 -4.201 2.708 39 HG23 UVR 4 HG23 UVR 4 12.793 -4.606 1.386 Start of MODEL 8 1 HA UVR 1 HA UVR 1 5.873 -1.964 -1.523 2 HB1 UVR 1 HB1 UVR 1 3.661 -1.299 -0.380 3 HB2 UVR 1 HB2 UVR 1 4.379 -1.892 1.113 4 HD1 UVR 1 HD1 UVR 1 3.202 -3.800 1.665 5 HD2 UVR 1 HD2 UVR 1 4.558 -3.273 -2.333 6 HE1 UVR 1 HE1 UVR 1 2.464 -6.083 1.119 7 HE2 UVR 1 HE2 UVR 1 3.823 -5.555 -2.888 8 HZ UVR 1 HZ UVR 1 2.774 -6.963 -1.161 9 H DTR 2 HN DTR 2 7.300 -0.294 -1.961 10 HA DTR 2 HA DTR 2 6.770 2.305 -0.656 11 HB2 DTR 2 HB2 DTR 2 6.248 2.658 -2.933 12 HB3 DTR 2 HB1 DTR 2 7.928 3.173 -2.834 13 HD1 DTR 2 HD1 DTR 2 9.627 1.972 -4.382 14 HE1 DTR 2 HE1 DTR 2 9.473 0.045 -6.081 15 HZ2 DTR 2 HZ2 DTR 2 7.597 -1.914 -6.867 16 HH2 DTR 2 HH2 DTR 2 5.323 -2.672 -6.329 17 HZ3 DTR 2 HZ3 DTR 2 4.003 -1.575 -4.592 18 HE3 DTR 2 HE3 DTR 2 4.903 0.330 -3.322 19 H LYS 3 HN LYS 3 8.167 1.289 0.947 20 HA LYS 3 HA LYS 3 11.030 1.144 0.305 21 HB2 LYS 3 HB2 LYS 3 11.636 2.553 2.024 22 HB3 LYS 3 HB1 LYS 3 10.050 3.236 1.723 23 HG2 LYS 3 HG2 LYS 3 10.545 1.119 3.798 24 HG3 LYS 3 HG1 LYS 3 10.655 2.847 4.128 25 HD2 LYS 3 HD2 LYS 3 8.370 3.189 3.689 26 HD3 LYS 3 HD1 LYS 3 8.202 1.621 2.899 27 HE2 LYS 3 HE2 LYS 3 9.154 1.271 5.585 28 HE3 LYS 3 HE1 LYS 3 7.696 2.262 5.588 29 HZ1 LYS 3 HZ1 LYS 3 7.465 -0.276 5.691 30 HZ2 LYS 3 HZ2 LYS 3 7.801 -0.241 4.034 31 HZ3 LYS 3 HZ3 LYS 3 6.452 0.579 4.640 32 HT5 UVR 4 HT5 UVR 4 8.617 -1.488 -0.602 33 HN UVR 4 HN UVR 4 10.959 -1.090 0.189 34 HA UVR 4 HA UVR 4 10.353 -2.607 2.569 35 HB UVR 4 HB UVR 4 10.902 -3.456 -0.234 36 HG1 UVR 4 HG1 UVR 4 10.301 -5.382 0.283 37 HG21 UVR 4 HG21 UVR 4 13.003 -2.998 0.442 38 HG22 UVR 4 HG22 UVR 4 12.861 -4.627 1.103 39 HG23 UVR 4 HG23 UVR 4 12.612 -3.226 2.146 Start of MODEL 9 1 HA UVR 1 HA UVR 1 5.843 -1.969 -1.517 2 HB1 UVR 1 HB1 UVR 1 3.726 -1.103 -0.045 3 HB2 UVR 1 HB2 UVR 1 4.442 -2.231 1.101 4 HD1 UVR 1 HD1 UVR 1 4.614 -4.618 0.554 5 HD2 UVR 1 HD2 UVR 1 2.620 -1.870 -2.011 6 HE1 UVR 1 HE1 UVR 1 3.526 -6.496 -0.605 7 HE2 UVR 1 HE2 UVR 1 1.526 -3.742 -3.173 8 HZ UVR 1 HZ UVR 1 1.977 -6.059 -2.471 9 H DTR 2 HN DTR 2 7.296 -0.320 -1.957 10 HA DTR 2 HA DTR 2 6.801 2.289 -0.662 11 HB2 DTR 2 HB2 DTR 2 6.269 2.394 -3.050 12 HB3 DTR 2 HB1 DTR 2 7.765 3.275 -2.759 13 HD1 DTR 2 HD1 DTR 2 9.861 2.528 -4.093 14 HE1 DTR 2 HE1 DTR 2 10.343 0.662 -5.798 15 HZ2 DTR 2 HZ2 DTR 2 9.057 -1.645 -6.802 16 HH2 DTR 2 HH2 DTR 2 6.966 -2.906 -6.535 17 HZ3 DTR 2 HZ3 DTR 2 5.243 -2.178 -4.967 18 HE3 DTR 2 HE3 DTR 2 5.539 -0.155 -3.599 19 H LYS 3 HN LYS 3 8.175 1.417 0.986 20 HA LYS 3 HA LYS 3 11.039 1.187 0.339 21 HB2 LYS 3 HB2 LYS 3 11.625 2.389 2.281 22 HB3 LYS 3 HB1 LYS 3 10.248 3.288 1.667 23 HG2 LYS 3 HG2 LYS 3 9.674 3.198 3.850 24 HG3 LYS 3 HG1 LYS 3 8.927 1.694 3.310 25 HD2 LYS 3 HD2 LYS 3 10.092 1.106 5.260 26 HD3 LYS 3 HD1 LYS 3 11.143 0.579 3.944 27 HE2 LYS 3 HE2 LYS 3 11.823 3.257 4.515 28 HE3 LYS 3 HE1 LYS 3 11.687 2.425 6.063 29 HZ1 LYS 3 HZ1 LYS 3 13.912 2.402 4.733 30 HZ2 LYS 3 HZ2 LYS 3 13.178 1.132 3.891 31 HZ3 LYS 3 HZ3 LYS 3 13.401 1.019 5.564 32 HT5 UVR 4 HT5 UVR 4 8.602 -1.572 -0.666 33 HN UVR 4 HN UVR 4 10.905 -1.047 0.152 34 HA UVR 4 HA UVR 4 10.358 -2.611 2.540 35 HB UVR 4 HB UVR 4 10.304 -4.451 0.518 36 HG1 UVR 4 HG1 UVR 4 11.747 -4.887 2.016 37 HG21 UVR 4 HG21 UVR 4 10.764 -2.768 -1.211 38 HG22 UVR 4 HG22 UVR 4 12.026 -3.994 -1.091 39 HG23 UVR 4 HG23 UVR 4 12.287 -2.390 -0.406 Start of MODEL 10 1 HA UVR 1 HA UVR 1 5.890 -1.965 -1.494 2 HB1 UVR 1 HB1 UVR 1 4.448 -2.974 0.573 3 HB2 UVR 1 HB2 UVR 1 3.717 -2.156 -0.799 4 HD1 UVR 1 HD1 UVR 1 2.843 0.077 -0.605 5 HD2 UVR 1 HD2 UVR 1 4.516 -1.932 2.744 6 HE1 UVR 1 HE1 UVR 1 1.793 1.724 0.897 7 HE2 UVR 1 HE2 UVR 1 3.476 -0.294 4.258 8 HZ UVR 1 HZ UVR 1 2.111 1.539 3.335 9 H DTR 2 HN DTR 2 7.292 -0.302 -1.975 10 HA DTR 2 HA DTR 2 6.759 2.311 -0.704 11 HB2 DTR 2 HB2 DTR 2 6.245 2.327 -3.102 12 HB3 DTR 2 HB1 DTR 2 7.677 3.303 -2.796 13 HD1 DTR 2 HD1 DTR 2 9.848 2.662 -4.069 14 HE1 DTR 2 HE1 DTR 2 10.473 0.814 -5.749 15 HZ2 DTR 2 HZ2 DTR 2 9.346 -1.566 -6.764 16 HH2 DTR 2 HH2 DTR 2 7.324 -2.942 -6.537 17 HZ3 DTR 2 HZ3 DTR 2 5.526 -2.306 -5.014 18 HE3 DTR 2 HE3 DTR 2 5.673 -0.260 -3.653 19 H LYS 3 HN LYS 3 8.146 1.183 0.905 20 HA LYS 3 HA LYS 3 11.040 1.170 0.345 21 HB2 LYS 3 HB2 LYS 3 9.560 2.583 2.569 22 HB3 LYS 3 HB1 LYS 3 11.166 1.934 2.871 23 HG2 LYS 3 HG2 LYS 3 10.568 3.844 0.629 24 HG3 LYS 3 HG1 LYS 3 11.060 4.364 2.243 25 HD2 LYS 3 HD2 LYS 3 13.144 3.163 2.041 26 HD3 LYS 3 HD1 LYS 3 12.643 2.488 0.489 27 HE2 LYS 3 HE2 LYS 3 12.681 5.447 0.813 28 HE3 LYS 3 HE1 LYS 3 14.216 4.602 0.631 29 HZ1 LYS 3 HZ1 LYS 3 12.102 5.040 -1.307 30 HZ2 LYS 3 HZ2 LYS 3 12.808 3.504 -1.340 31 HZ3 LYS 3 HZ3 LYS 3 13.770 4.880 -1.540 32 HT5 UVR 4 HT5 UVR 4 8.623 -1.581 -0.635 33 HN UVR 4 HN UVR 4 10.895 -1.072 0.163 34 HA UVR 4 HA UVR 4 10.373 -2.611 2.572 35 HB UVR 4 HB UVR 4 10.312 -4.471 0.572 36 HG1 UVR 4 HG1 UVR 4 11.906 -5.042 1.779 37 HG21 UVR 4 HG21 UVR 4 12.285 -2.423 -0.401 38 HG22 UVR 4 HG22 UVR 4 10.745 -2.792 -1.177 39 HG23 UVR 4 HG23 UVR 4 11.998 -4.028 -1.072 Start of MODEL 11 1 HA UVR 1 HA UVR 1 5.886 -1.981 -1.510 2 HB1 UVR 1 HB1 UVR 1 3.744 -1.137 -0.068 3 HB2 UVR 1 HB2 UVR 1 4.458 -2.253 1.089 4 HD1 UVR 1 HD1 UVR 1 1.843 -2.193 -0.854 5 HD2 UVR 1 HD2 UVR 1 5.493 -4.369 -0.642 6 HE1 UVR 1 HE1 UVR 1 0.781 -4.081 -2.020 7 HE2 UVR 1 HE2 UVR 1 4.439 -6.261 -1.808 8 HZ UVR 1 HZ UVR 1 2.079 -6.118 -2.499 9 H DTR 2 HN DTR 2 7.343 -0.298 -1.932 10 HA DTR 2 HA DTR 2 6.737 2.311 -0.684 11 HB2 DTR 2 HB2 DTR 2 7.736 1.635 -3.470 12 HB3 DTR 2 HB1 DTR 2 6.199 2.384 -3.052 13 HD1 DTR 2 HD1 DTR 2 9.055 3.431 -4.731 14 HE1 DTR 2 HE1 DTR 2 9.680 5.890 -4.305 15 HZ2 DTR 2 HZ2 DTR 2 9.099 7.907 -2.418 16 HH2 DTR 2 HH2 DTR 2 7.778 8.257 -0.377 17 HZ3 DTR 2 HZ3 DTR 2 6.423 6.464 0.574 18 HE3 DTR 2 HE3 DTR 2 6.332 4.241 -0.477 19 H LYS 3 HN LYS 3 8.163 1.103 0.875 20 HA LYS 3 HA LYS 3 11.048 1.149 0.318 21 HB2 LYS 3 HB2 LYS 3 9.604 2.506 2.619 22 HB3 LYS 3 HB1 LYS 3 11.281 1.995 2.761 23 HG2 LYS 3 HG2 LYS 3 12.023 3.561 1.220 24 HG3 LYS 3 HG1 LYS 3 10.420 3.767 0.512 25 HD2 LYS 3 HD2 LYS 3 9.823 5.321 2.021 26 HD3 LYS 3 HD1 LYS 3 10.574 4.447 3.358 27 HE2 LYS 3 HE2 LYS 3 12.032 6.122 1.317 28 HE3 LYS 3 HE1 LYS 3 11.635 6.628 2.958 29 HZ1 LYS 3 HZ1 LYS 3 13.691 5.852 3.367 30 HZ2 LYS 3 HZ2 LYS 3 13.709 4.824 2.024 31 HZ3 LYS 3 HZ3 LYS 3 12.916 4.349 3.440 32 HT5 UVR 4 HT5 UVR 4 8.622 -1.519 -0.598 33 HN UVR 4 HN UVR 4 10.900 -1.102 0.170 34 HA UVR 4 HA UVR 4 10.357 -2.589 2.590 35 HB UVR 4 HB UVR 4 10.949 -3.433 -0.205 36 HG1 UVR 4 HG1 UVR 4 9.907 -5.179 0.336 37 HG21 UVR 4 HG21 UVR 4 13.017 -4.231 0.503 38 HG22 UVR 4 HG22 UVR 4 12.558 -4.136 2.202 39 HG23 UVR 4 HG23 UVR 4 12.843 -2.659 1.283 Start of MODEL 12 1 HA UVR 1 HA UVR 1 5.921 -1.960 -1.521 2 HB1 UVR 1 HB1 UVR 1 4.153 -3.044 -0.337 3 HB2 UVR 1 HB2 UVR 1 3.653 -1.379 -0.580 4 HD1 UVR 1 HD1 UVR 1 4.556 -3.903 1.833 5 HD2 UVR 1 HD2 UVR 1 3.555 0.174 1.273 6 HE1 UVR 1 HE1 UVR 1 4.083 -3.703 4.247 7 HE2 UVR 1 HE2 UVR 1 3.084 0.405 3.683 8 HZ UVR 1 HZ UVR 1 3.349 -1.541 5.175 9 H DTR 2 HN DTR 2 7.312 -0.291 -1.949 10 HA DTR 2 HA DTR 2 6.758 2.310 -0.660 11 HB2 DTR 2 HB2 DTR 2 6.221 2.302 -3.080 12 HB3 DTR 2 HB1 DTR 2 7.608 3.339 -2.753 13 HD1 DTR 2 HD1 DTR 2 6.832 -0.194 -4.116 14 HE1 DTR 2 HE1 DTR 2 8.713 -0.855 -5.746 15 HZ2 DTR 2 HZ2 DTR 2 11.175 0.203 -6.648 16 HH2 DTR 2 HH2 DTR 2 12.620 2.162 -6.318 17 HZ3 DTR 2 HZ3 DTR 2 11.996 3.947 -4.773 18 HE3 DTR 2 HE3 DTR 2 9.898 3.846 -3.492 19 H LYS 3 HN LYS 3 8.175 1.240 0.942 20 HA LYS 3 HA LYS 3 11.030 1.121 0.281 21 HB2 LYS 3 HB2 LYS 3 11.620 2.676 1.838 22 HB3 LYS 3 HB1 LYS 3 9.945 3.188 1.800 23 HG2 LYS 3 HG2 LYS 3 10.726 1.002 3.660 24 HG3 LYS 3 HG1 LYS 3 11.163 2.660 4.054 25 HD2 LYS 3 HD2 LYS 3 8.415 2.478 3.170 26 HD3 LYS 3 HD1 LYS 3 8.723 1.416 4.546 27 HE2 LYS 3 HE2 LYS 3 9.035 3.137 5.967 28 HE3 LYS 3 HE1 LYS 3 9.890 4.103 4.765 29 HZ1 LYS 3 HZ1 LYS 3 8.040 5.323 4.730 30 HZ2 LYS 3 HZ2 LYS 3 7.113 4.139 5.504 31 HZ3 LYS 3 HZ3 LYS 3 7.349 4.068 3.831 32 HT5 UVR 4 HT5 UVR 4 8.624 -1.523 -0.598 33 HN UVR 4 HN UVR 4 10.947 -1.092 0.191 34 HA UVR 4 HA UVR 4 10.347 -2.604 2.596 35 HB UVR 4 HB UVR 4 10.303 -4.449 0.552 36 HG1 UVR 4 HG1 UVR 4 11.632 -4.961 2.127 37 HG21 UVR 4 HG21 UVR 4 12.395 -2.433 -0.218 38 HG22 UVR 4 HG22 UVR 4 10.929 -2.790 -1.133 39 HG23 UVR 4 HG23 UVR 4 12.164 -4.033 -0.924 Start of MODEL 13 1 HA UVR 1 HA UVR 1 5.823 -1.970 -1.503 2 HB1 UVR 1 HB1 UVR 1 3.814 -1.033 0.245 3 HB2 UVR 1 HB2 UVR 1 4.456 -2.476 1.022 4 HD1 UVR 1 HD1 UVR 1 2.931 -1.202 -2.093 5 HD2 UVR 1 HD2 UVR 1 3.923 -4.622 0.236 6 HE1 UVR 1 HE1 UVR 1 1.568 -2.608 -3.583 7 HE2 UVR 1 HE2 UVR 1 2.564 -6.035 -1.251 8 HZ UVR 1 HZ UVR 1 1.384 -5.028 -3.163 9 H DTR 2 HN DTR 2 7.299 -0.337 -1.947 10 HA DTR 2 HA DTR 2 6.809 2.288 -0.688 11 HB2 DTR 2 HB2 DTR 2 8.144 2.960 -2.923 12 HB3 DTR 2 HB1 DTR 2 7.428 1.459 -3.500 13 HD1 DTR 2 HD1 DTR 2 4.910 1.508 -4.173 14 HE1 DTR 2 HE1 DTR 2 3.112 3.348 -4.251 15 HZ2 DTR 2 HZ2 DTR 2 2.787 6.001 -3.344 16 HH2 DTR 2 HH2 DTR 2 4.009 7.736 -2.107 17 HZ3 DTR 2 HZ3 DTR 2 6.261 7.332 -1.256 18 HE3 DTR 2 HE3 DTR 2 7.386 5.172 -1.607 19 H LYS 3 HN LYS 3 8.168 1.425 0.984 20 HA LYS 3 HA LYS 3 11.046 1.220 0.375 21 HB2 LYS 3 HB2 LYS 3 11.559 2.347 2.409 22 HB3 LYS 3 HB1 LYS 3 10.256 3.290 1.705 23 HG2 LYS 3 HG2 LYS 3 8.730 1.806 3.193 24 HG3 LYS 3 HG1 LYS 3 10.218 1.517 4.097 25 HD2 LYS 3 HD2 LYS 3 9.105 4.244 3.446 26 HD3 LYS 3 HD1 LYS 3 8.874 3.406 4.982 27 HE2 LYS 3 HE2 LYS 3 10.739 4.449 5.639 28 HE3 LYS 3 HE1 LYS 3 11.591 3.278 4.633 29 HZ1 LYS 3 HZ1 LYS 3 10.985 5.092 2.809 30 HZ2 LYS 3 HZ2 LYS 3 12.406 5.158 3.722 31 HZ3 LYS 3 HZ3 LYS 3 11.075 6.104 4.162 32 HT5 UVR 4 HT5 UVR 4 8.592 -1.560 -0.667 33 HN UVR 4 HN UVR 4 10.888 -1.033 0.137 34 HA UVR 4 HA UVR 4 10.383 -2.615 2.510 35 HB UVR 4 HB UVR 4 11.713 -3.068 0.076 36 HG1 UVR 4 HG1 UVR 4 9.913 -3.827 -0.934 37 HG21 UVR 4 HG21 UVR 4 12.796 -4.557 1.285 38 HG22 UVR 4 HG22 UVR 4 11.345 -5.543 1.455 39 HG23 UVR 4 HG23 UVR 4 11.664 -4.240 2.599 Start of MODEL 14 1 HA UVR 1 HA UVR 1 5.889 -1.966 -1.493 2 HB1 UVR 1 HB1 UVR 1 4.422 -3.024 0.465 3 HB2 UVR 1 HB2 UVR 1 3.692 -2.034 -0.791 4 HD1 UVR 1 HD1 UVR 1 2.781 0.089 -0.330 5 HD2 UVR 1 HD2 UVR 1 4.750 -2.119 2.712 6 HE1 UVR 1 HE1 UVR 1 1.842 1.612 1.369 7 HE2 UVR 1 HE2 UVR 1 3.824 -0.608 4.424 8 HZ UVR 1 HZ UVR 1 2.367 1.262 3.752 9 H DTR 2 HN DTR 2 7.297 -0.302 -1.971 10 HA DTR 2 HA DTR 2 6.757 2.311 -0.704 11 HB2 DTR 2 HB2 DTR 2 8.265 2.307 -3.237 12 HB3 DTR 2 HB1 DTR 2 6.629 1.674 -3.390 13 HD1 DTR 2 HD1 DTR 2 4.612 3.387 -2.608 14 HE1 DTR 2 HE1 DTR 2 4.497 5.953 -2.768 15 HZ2 DTR 2 HZ2 DTR 2 6.281 8.116 -3.089 16 HH2 DTR 2 HH2 DTR 2 8.683 8.558 -3.357 17 HZ3 DTR 2 HZ3 DTR 2 10.307 6.737 -3.395 18 HE3 DTR 2 HE3 DTR 2 9.595 4.391 -3.167 19 H LYS 3 HN LYS 3 8.148 1.168 0.899 20 HA LYS 3 HA LYS 3 11.041 1.170 0.343 21 HB2 LYS 3 HB2 LYS 3 9.552 2.597 2.548 22 HB3 LYS 3 HB1 LYS 3 11.145 1.932 2.881 23 HG2 LYS 3 HG2 LYS 3 11.967 3.261 0.890 24 HG3 LYS 3 HG1 LYS 3 10.405 4.082 0.921 25 HD2 LYS 3 HD2 LYS 3 12.076 5.367 2.140 26 HD3 LYS 3 HD1 LYS 3 10.824 4.778 3.234 27 HE2 LYS 3 HE2 LYS 3 13.169 3.024 2.881 28 HE3 LYS 3 HE1 LYS 3 13.466 4.549 3.712 29 HZ1 LYS 3 HZ1 LYS 3 12.626 2.353 4.941 30 HZ2 LYS 3 HZ2 LYS 3 11.130 3.056 4.583 31 HZ3 LYS 3 HZ3 LYS 3 12.270 3.913 5.493 32 HT5 UVR 4 HT5 UVR 4 8.622 -1.578 -0.631 33 HN UVR 4 HN UVR 4 10.893 -1.074 0.163 34 HA UVR 4 HA UVR 4 10.373 -2.609 2.575 35 HB UVR 4 HB UVR 4 10.315 -4.468 0.569 36 HG1 UVR 4 HG1 UVR 4 11.713 -4.671 2.270 37 HG21 UVR 4 HG21 UVR 4 12.334 -2.456 -0.378 38 HG22 UVR 4 HG22 UVR 4 10.776 -2.747 -1.155 39 HG23 UVR 4 HG23 UVR 4 11.978 -4.035 -1.078 Start of MODEL 15 1 HA UVR 1 HA UVR 1 5.866 -1.971 -1.494 2 HB1 UVR 1 HB1 UVR 1 3.889 -2.684 -0.623 3 HB2 UVR 1 HB2 UVR 1 3.749 -1.036 -0.030 4 HD1 UVR 1 HD1 UVR 1 4.514 -0.527 2.311 5 HD2 UVR 1 HD2 UVR 1 3.990 -4.475 0.838 6 HE1 UVR 1 HE1 UVR 1 4.382 -1.362 4.625 7 HE2 UVR 1 HE2 UVR 1 3.853 -5.328 3.147 8 HZ UVR 1 HZ UVR 1 4.050 -3.767 5.044 9 H DTR 2 HN DTR 2 7.300 -0.314 -1.962 10 HA DTR 2 HA DTR 2 6.781 2.301 -0.686 11 HB2 DTR 2 HB2 DTR 2 7.067 3.356 -2.715 12 HB3 DTR 2 HB1 DTR 2 8.268 2.193 -3.263 13 HD1 DTR 2 HD1 DTR 2 7.421 0.130 -4.684 14 HE1 DTR 2 HE1 DTR 2 5.178 -0.404 -5.827 15 HZ2 DTR 2 HZ2 DTR 2 2.520 0.545 -5.779 16 HH2 DTR 2 HH2 DTR 2 1.147 2.253 -4.671 17 HZ3 DTR 2 HZ3 DTR 2 2.111 3.777 -3.025 18 HE3 DTR 2 HE3 DTR 2 4.493 3.658 -2.419 19 H LYS 3 HN LYS 3 8.155 1.312 0.954 20 HA LYS 3 HA LYS 3 11.026 1.164 0.331 21 HB2 LYS 3 HB2 LYS 3 11.615 2.555 2.070 22 HB3 LYS 3 HB1 LYS 3 10.031 3.241 1.758 23 HG2 LYS 3 HG2 LYS 3 10.515 1.110 3.823 24 HG3 LYS 3 HG1 LYS 3 10.606 2.835 4.165 25 HD2 LYS 3 HD2 LYS 3 8.174 1.655 2.872 26 HD3 LYS 3 HD1 LYS 3 8.387 1.601 4.622 27 HE2 LYS 3 HE2 LYS 3 7.889 3.767 4.852 28 HE3 LYS 3 HE1 LYS 3 8.923 4.233 3.503 29 HZ1 LYS 3 HZ1 LYS 3 6.207 3.076 3.194 30 HZ2 LYS 3 HZ2 LYS 3 7.184 3.719 1.971 31 HZ3 LYS 3 HZ3 LYS 3 6.542 4.735 3.160 32 HT5 UVR 4 HT5 UVR 4 8.609 -1.567 -0.637 33 HN UVR 4 HN UVR 4 10.943 -1.058 0.178 34 HA UVR 4 HA UVR 4 10.379 -2.625 2.552 35 HB UVR 4 HB UVR 4 10.311 -4.464 0.535 36 HG1 UVR 4 HG1 UVR 4 11.973 -5.075 1.621 37 HG21 UVR 4 HG21 UVR 4 10.740 -2.754 -1.194 38 HG22 UVR 4 HG22 UVR 4 11.975 -4.011 -1.119 39 HG23 UVR 4 HG23 UVR 4 12.293 -2.420 -0.427 Start of MODEL 16 1 HA UVR 1 HA UVR 1 5.885 -1.979 -1.515 2 HB1 UVR 1 HB1 UVR 1 4.172 -1.390 0.902 3 HB2 UVR 1 HB2 UVR 1 4.359 -3.042 0.320 4 HD1 UVR 1 HD1 UVR 1 2.676 -3.816 -1.014 5 HD2 UVR 1 HD2 UVR 1 3.658 0.322 -1.143 6 HE1 UVR 1 HE1 UVR 1 0.884 -3.447 -2.658 7 HE2 UVR 1 HE2 UVR 1 1.867 0.700 -2.788 8 HZ UVR 1 HZ UVR 1 0.477 -1.186 -3.547 9 H DTR 2 HN DTR 2 7.338 -0.297 -1.934 10 HA DTR 2 HA DTR 2 6.742 2.307 -0.673 11 HB2 DTR 2 HB2 DTR 2 8.228 2.492 -3.165 12 HB3 DTR 2 HB1 DTR 2 6.732 1.596 -3.405 13 HD1 DTR 2 HD1 DTR 2 5.453 3.459 -4.734 14 HE1 DTR 2 HE1 DTR 2 4.519 5.770 -4.096 15 HZ2 DTR 2 HZ2 DTR 2 4.728 7.599 -1.955 16 HH2 DTR 2 HH2 DTR 2 5.852 7.842 0.215 17 HZ3 DTR 2 HZ3 DTR 2 7.332 6.101 1.074 18 HE3 DTR 2 HE3 DTR 2 7.752 4.042 -0.206 19 H LYS 3 HN LYS 3 8.168 1.133 0.892 20 HA LYS 3 HA LYS 3 11.047 1.148 0.312 21 HB2 LYS 3 HB2 LYS 3 11.250 3.017 1.627 22 HB3 LYS 3 HB1 LYS 3 9.605 2.873 2.226 23 HG2 LYS 3 HG2 LYS 3 10.243 1.481 3.988 24 HG3 LYS 3 HG1 LYS 3 11.797 1.103 3.245 25 HD2 LYS 3 HD2 LYS 3 12.078 2.644 5.114 26 HD3 LYS 3 HD1 LYS 3 12.523 3.417 3.591 27 HE2 LYS 3 HE2 LYS 3 11.125 4.796 5.196 28 HE3 LYS 3 HE1 LYS 3 10.539 4.685 3.537 29 HZ1 LYS 3 HZ1 LYS 3 8.830 4.383 5.332 30 HZ2 LYS 3 HZ2 LYS 3 9.569 2.906 5.698 31 HZ3 LYS 3 HZ3 LYS 3 8.886 3.153 4.171 32 HT5 UVR 4 HT5 UVR 4 8.620 -1.514 -0.598 33 HN UVR 4 HN UVR 4 10.908 -1.103 0.173 34 HA UVR 4 HA UVR 4 10.352 -2.591 2.587 35 HB UVR 4 HB UVR 4 10.895 -3.469 -0.209 36 HG1 UVR 4 HG1 UVR 4 10.094 -5.304 0.356 37 HG21 UVR 4 HG21 UVR 4 12.951 -2.807 0.647 38 HG22 UVR 4 HG22 UVR 4 12.915 -4.556 0.873 39 HG23 UVR 4 HG23 UVR 4 12.596 -3.484 2.237 Start of MODEL 17 1 HA UVR 1 HA UVR 1 5.878 -1.980 -1.496 2 HB1 UVR 1 HB1 UVR 1 3.930 -2.756 -0.599 3 HB2 UVR 1 HB2 UVR 1 3.728 -1.080 -0.114 4 HD1 UVR 1 HD1 UVR 1 3.904 -4.425 0.967 5 HD2 UVR 1 HD2 UVR 1 4.586 -0.424 2.203 6 HE1 UVR 1 HE1 UVR 1 3.746 -5.138 3.323 7 HE2 UVR 1 HE2 UVR 1 4.435 -1.116 4.565 8 HZ UVR 1 HZ UVR 1 4.015 -3.480 5.125 9 H DTR 2 HN DTR 2 7.338 -0.317 -1.928 10 HA DTR 2 HA DTR 2 6.762 2.302 -0.689 11 HB2 DTR 2 HB2 DTR 2 8.166 2.859 -2.996 12 HB3 DTR 2 HB1 DTR 2 7.207 1.467 -3.489 13 HD1 DTR 2 HD1 DTR 2 6.787 5.075 -2.219 14 HE1 DTR 2 HE1 DTR 2 4.440 5.898 -2.882 15 HZ2 DTR 2 HZ2 DTR 2 2.098 4.839 -4.047 16 HH2 DTR 2 HH2 DTR 2 1.226 2.724 -4.943 17 HZ3 DTR 2 HZ3 DTR 2 2.597 0.703 -4.971 18 HE3 DTR 2 HE3 DTR 2 4.899 0.713 -4.103 19 H LYS 3 HN LYS 3 8.163 1.194 0.919 20 HA LYS 3 HA LYS 3 11.044 1.170 0.334 21 HB2 LYS 3 HB2 LYS 3 11.230 3.034 1.658 22 HB3 LYS 3 HB1 LYS 3 9.586 2.876 2.253 23 HG2 LYS 3 HG2 LYS 3 11.257 2.760 4.040 24 HG3 LYS 3 HG1 LYS 3 10.302 1.283 3.918 25 HD2 LYS 3 HD2 LYS 3 12.080 0.031 3.280 26 HD3 LYS 3 HD1 LYS 3 12.803 1.345 2.350 27 HE2 LYS 3 HE2 LYS 3 13.544 2.404 4.427 28 HE3 LYS 3 HE1 LYS 3 12.817 1.094 5.356 29 HZ1 LYS 3 HZ1 LYS 3 14.947 0.682 3.333 30 HZ2 LYS 3 HZ2 LYS 3 14.356 -0.446 4.448 31 HZ3 LYS 3 HZ3 LYS 3 15.253 0.883 4.986 32 HT5 UVR 4 HT5 UVR 4 8.611 -1.573 -0.629 33 HN UVR 4 HN UVR 4 10.909 -1.069 0.166 34 HA UVR 4 HA UVR 4 10.371 -2.610 2.570 35 HB UVR 4 HB UVR 4 10.304 -4.466 0.566 36 HG1 UVR 4 HG1 UVR 4 11.815 -4.974 1.927 37 HG21 UVR 4 HG21 UVR 4 12.007 -4.025 -1.068 38 HG22 UVR 4 HG22 UVR 4 12.276 -2.415 -0.400 39 HG23 UVR 4 HG23 UVR 4 10.743 -2.800 -1.185 Start of MODEL 18 1 HA UVR 1 HA UVR 1 5.892 -1.988 -1.509 2 HB1 UVR 1 HB1 UVR 1 4.024 -1.161 0.622 3 HB2 UVR 1 HB2 UVR 1 4.459 -2.865 0.682 4 HD1 UVR 1 HD1 UVR 1 4.378 -4.056 -1.708 5 HD2 UVR 1 HD2 UVR 1 2.173 -0.589 -0.597 6 HE1 UVR 1 HE1 UVR 1 2.732 -4.541 -3.472 7 HE2 UVR 1 HE2 UVR 1 0.524 -1.069 -2.359 8 HZ UVR 1 HZ UVR 1 0.801 -3.048 -3.798 9 H DTR 2 HN DTR 2 7.339 -0.284 -1.950 10 HA DTR 2 HA DTR 2 6.719 2.311 -0.677 11 HB2 DTR 2 HB2 DTR 2 8.198 2.326 -3.238 12 HB3 DTR 2 HB1 DTR 2 6.549 1.717 -3.351 13 HD1 DTR 2 HD1 DTR 2 8.047 4.707 -4.188 14 HE1 DTR 2 HE1 DTR 2 6.627 6.792 -3.677 15 HZ2 DTR 2 HZ2 DTR 2 4.409 7.479 -2.078 16 HH2 DTR 2 HH2 DTR 2 2.845 6.461 -0.482 17 HZ3 DTR 2 HZ3 DTR 2 3.010 4.099 0.117 18 HE3 DTR 2 HE3 DTR 2 4.751 2.658 -0.858 19 H LYS 3 HN LYS 3 8.172 1.034 0.845 20 HA LYS 3 HA LYS 3 11.051 1.127 0.304 21 HB2 LYS 3 HB2 LYS 3 9.600 2.570 2.540 22 HB3 LYS 3 HB1 LYS 3 11.248 1.995 2.767 23 HG2 LYS 3 HG2 LYS 3 10.436 3.829 0.526 24 HG3 LYS 3 HG1 LYS 3 11.021 4.399 2.091 25 HD2 LYS 3 HD2 LYS 3 12.588 2.438 0.445 26 HD3 LYS 3 HD1 LYS 3 12.720 4.178 0.182 27 HE2 LYS 3 HE2 LYS 3 14.383 3.967 1.704 28 HE3 LYS 3 HE1 LYS 3 13.039 4.124 2.834 29 HZ1 LYS 3 HZ1 LYS 3 13.648 1.432 1.914 30 HZ2 LYS 3 HZ2 LYS 3 13.184 1.973 3.448 31 HZ3 LYS 3 HZ3 LYS 3 14.788 2.146 2.942 32 HT5 UVR 4 HT5 UVR 4 8.627 -1.525 -0.590 33 HN UVR 4 HN UVR 4 10.885 -1.107 0.173 34 HA UVR 4 HA UVR 4 10.341 -2.584 2.620 35 HB UVR 4 HB UVR 4 10.310 -4.413 0.511 36 HG1 UVR 4 HG1 UVR 4 11.594 -5.185 1.947 37 HG21 UVR 4 HG21 UVR 4 12.407 -4.006 -0.704 38 HG22 UVR 4 HG22 UVR 4 12.471 -2.389 -0.007 39 HG23 UVR 4 HG23 UVR 4 11.154 -2.828 -1.095 Start of MODEL 19 1 HA UVR 1 HA UVR 1 5.891 -1.981 -1.513 2 HB1 UVR 1 HB1 UVR 1 3.679 -1.282 -0.353 3 HB2 UVR 1 HB2 UVR 1 4.393 -1.941 1.115 4 HD1 UVR 1 HD1 UVR 1 4.452 -4.258 1.518 5 HD2 UVR 1 HD2 UVR 1 3.283 -2.788 -2.299 6 HE1 UVR 1 HE1 UVR 1 3.686 -6.511 0.891 7 HE2 UVR 1 HE2 UVR 1 2.514 -5.039 -2.934 8 HZ UVR 1 HZ UVR 1 2.715 -6.903 -1.338 9 H DTR 2 HN DTR 2 7.340 -0.292 -1.936 10 HA DTR 2 HA DTR 2 6.734 2.311 -0.677 11 HB2 DTR 2 HB2 DTR 2 6.234 2.681 -2.932 12 HB3 DTR 2 HB1 DTR 2 7.929 3.147 -2.872 13 HD1 DTR 2 HD1 DTR 2 9.706 1.446 -4.000 14 HE1 DTR 2 HE1 DTR 2 9.408 -0.336 -5.834 15 HZ2 DTR 2 HZ2 DTR 2 7.294 -1.751 -7.059 16 HH2 DTR 2 HH2 DTR 2 4.847 -1.943 -6.964 17 HZ3 DTR 2 HZ3 DTR 2 3.534 -0.607 -5.398 18 HE3 DTR 2 HE3 DTR 2 4.617 0.982 -3.862 19 H LYS 3 HN LYS 3 8.164 1.091 0.870 20 HA LYS 3 HA LYS 3 11.049 1.144 0.313 21 HB2 LYS 3 HB2 LYS 3 9.706 2.340 2.773 22 HB3 LYS 3 HB1 LYS 3 11.440 2.112 2.586 23 HG2 LYS 3 HG2 LYS 3 11.622 3.808 1.013 24 HG3 LYS 3 HG1 LYS 3 9.900 3.771 0.632 25 HD2 LYS 3 HD2 LYS 3 9.326 4.847 2.651 26 HD3 LYS 3 HD1 LYS 3 10.927 4.571 3.342 27 HE2 LYS 3 HE2 LYS 3 11.919 6.145 1.835 28 HE3 LYS 3 HE1 LYS 3 10.415 6.300 0.927 29 HZ1 LYS 3 HZ1 LYS 3 9.590 6.983 3.358 30 HZ2 LYS 3 HZ2 LYS 3 10.175 8.101 2.231 31 HZ3 LYS 3 HZ3 LYS 3 11.193 7.516 3.448 32 HT5 UVR 4 HT5 UVR 4 8.624 -1.517 -0.594 33 HN UVR 4 HN UVR 4 10.903 -1.109 0.173 34 HA UVR 4 HA UVR 4 10.353 -2.586 2.598 35 HB UVR 4 HB UVR 4 10.953 -3.443 -0.189 36 HG1 UVR 4 HG1 UVR 4 9.955 -4.914 1.907 37 HG21 UVR 4 HG21 UVR 4 12.903 -4.597 0.914 38 HG22 UVR 4 HG22 UVR 4 12.537 -3.612 2.330 39 HG23 UVR 4 HG23 UVR 4 12.976 -2.839 0.807 Start of MODEL 20 1 HA UVR 1 HA UVR 1 5.868 -1.985 -1.492 2 HB1 UVR 1 HB1 UVR 1 4.364 -1.804 1.141 3 HB2 UVR 1 HB2 UVR 1 4.169 -3.027 -0.111 4 HD1 UVR 1 HD1 UVR 1 2.487 -0.501 1.323 5 HD2 UVR 1 HD2 UVR 1 3.809 -1.669 -2.551 6 HE1 UVR 1 HE1 UVR 1 0.676 0.823 0.311 7 HE2 UVR 1 HE2 UVR 1 2.001 -0.346 -3.572 8 HZ UVR 1 HZ UVR 1 0.431 0.903 -2.140 9 H DTR 2 HN DTR 2 7.343 -0.314 -1.929 10 HA DTR 2 HA DTR 2 6.750 2.308 -0.706 11 HB2 DTR 2 HB2 DTR 2 7.974 1.750 -3.429 12 HB3 DTR 2 HB1 DTR 2 6.276 2.138 -3.172 13 HD1 DTR 2 HD1 DTR 2 9.376 3.766 -4.124 14 HE1 DTR 2 HE1 DTR 2 9.250 6.315 -3.785 15 HZ2 DTR 2 HZ2 DTR 2 7.600 8.174 -2.443 16 HH2 DTR 2 HH2 DTR 2 5.595 8.239 -1.026 17 HZ3 DTR 2 HZ3 DTR 2 4.421 6.189 -0.404 18 HE3 DTR 2 HE3 DTR 2 5.207 3.988 -1.174 19 H LYS 3 HN LYS 3 8.157 1.135 0.890 20 HA LYS 3 HA LYS 3 11.042 1.167 0.337 21 HB2 LYS 3 HB2 LYS 3 11.216 3.027 1.667 22 HB3 LYS 3 HB1 LYS 3 9.565 2.868 2.245 23 HG2 LYS 3 HG2 LYS 3 10.196 1.458 4.001 24 HG3 LYS 3 HG1 LYS 3 11.773 1.124 3.282 25 HD2 LYS 3 HD2 LYS 3 11.240 3.961 3.831 26 HD3 LYS 3 HD1 LYS 3 11.328 2.935 5.263 27 HE2 LYS 3 HE2 LYS 3 13.421 3.167 3.103 28 HE3 LYS 3 HE1 LYS 3 13.515 3.859 4.722 29 HZ1 LYS 3 HZ1 LYS 3 13.923 1.122 3.850 30 HZ2 LYS 3 HZ2 LYS 3 13.062 1.299 5.295 31 HZ3 LYS 3 HZ3 LYS 3 14.612 1.960 5.150 32 HT5 UVR 4 HT5 UVR 4 8.622 -1.586 -0.639 33 HN UVR 4 HN UVR 4 10.895 -1.082 0.162 34 HA UVR 4 HA UVR 4 10.380 -2.603 2.570 35 HB UVR 4 HB UVR 4 11.723 -3.111 0.150 36 HG1 UVR 4 HG1 UVR 4 10.715 -5.009 -0.582 37 HG21 UVR 4 HG21 UVR 4 11.070 -5.081 2.318 38 HG22 UVR 4 HG22 UVR 4 12.458 -3.994 2.283 39 HG23 UVR 4 HG23 UVR 4 12.311 -5.274 1.080 Start of MODEL 21 1 HA UVR 1 HA UVR 1 5.887 -1.987 -1.505 2 HB1 UVR 1 HB1 UVR 1 4.063 -1.223 0.725 3 HB2 UVR 1 HB2 UVR 1 4.423 -2.939 0.570 4 HD1 UVR 1 HD1 UVR 1 3.974 -0.361 -2.070 5 HD2 UVR 1 HD2 UVR 1 2.489 -3.906 -0.243 6 HE1 UVR 1 HE1 UVR 1 2.278 -0.559 -3.842 7 HE2 UVR 1 HE2 UVR 1 0.790 -4.111 -2.012 8 HZ UVR 1 HZ UVR 1 0.684 -2.435 -3.815 9 H DTR 2 HN DTR 2 7.350 -0.304 -1.926 10 HA DTR 2 HA DTR 2 6.743 2.307 -0.683 11 HB2 DTR 2 HB2 DTR 2 8.227 2.590 -3.129 12 HB3 DTR 2 HB1 DTR 2 6.846 1.542 -3.437 13 HD1 DTR 2 HD1 DTR 2 7.545 4.886 -4.042 14 HE1 DTR 2 HE1 DTR 2 5.528 6.455 -3.742 15 HZ2 DTR 2 HZ2 DTR 2 2.996 6.402 -2.494 16 HH2 DTR 2 HH2 DTR 2 1.582 4.901 -1.160 17 HZ3 DTR 2 HZ3 DTR 2 2.335 2.658 -0.557 18 HE3 DTR 2 HE3 DTR 2 4.539 1.824 -1.264 19 H LYS 3 HN LYS 3 8.164 1.119 0.882 20 HA LYS 3 HA LYS 3 11.049 1.153 0.322 21 HB2 LYS 3 HB2 LYS 3 9.581 2.597 2.532 22 HB3 LYS 3 HB1 LYS 3 11.186 1.950 2.840 23 HG2 LYS 3 HG2 LYS 3 10.561 3.847 0.593 24 HG3 LYS 3 HG1 LYS 3 11.117 4.360 2.187 25 HD2 LYS 3 HD2 LYS 3 12.596 2.523 0.304 26 HD3 LYS 3 HD1 LYS 3 12.973 4.221 0.599 27 HE2 LYS 3 HE2 LYS 3 13.284 3.617 3.021 28 HE3 LYS 3 HE1 LYS 3 13.161 1.926 2.540 29 HZ1 LYS 3 HZ1 LYS 3 15.119 3.728 1.262 30 HZ2 LYS 3 HZ2 LYS 3 15.135 2.039 1.353 31 HZ3 LYS 3 HZ3 LYS 3 15.472 2.963 2.729 32 HT5 UVR 4 HT5 UVR 4 8.625 -1.571 -0.623 33 HN UVR 4 HN UVR 4 10.882 -1.094 0.161 34 HA UVR 4 HA UVR 4 10.369 -2.592 2.588 35 HB UVR 4 HB UVR 4 11.714 -3.126 0.171 36 HG1 UVR 4 HG1 UVR 4 10.712 -5.069 -0.494 37 HG21 UVR 4 HG21 UVR 4 11.213 -5.457 1.871 38 HG22 UVR 4 HG22 UVR 4 11.919 -4.057 2.677 39 HG23 UVR 4 HG23 UVR 4 12.731 -4.775 1.286 Start of MODEL 22 1 HA UVR 1 HA UVR 1 5.863 -1.984 -1.497 2 HB1 UVR 1 HB1 UVR 1 4.231 -3.076 0.005 3 HB2 UVR 1 HB2 UVR 1 3.622 -1.538 -0.582 4 HD1 UVR 1 HD1 UVR 1 2.026 -2.184 1.388 5 HD2 UVR 1 HD2 UVR 1 6.040 -0.855 1.891 6 HE1 UVR 1 HE1 UVR 1 1.510 -1.497 3.691 7 HE2 UVR 1 HE2 UVR 1 5.528 -0.169 4.192 8 HZ UVR 1 HZ UVR 1 3.261 -0.489 5.097 9 H DTR 2 HN DTR 2 7.382 -0.332 -1.877 10 HA DTR 2 HA DTR 2 6.761 2.302 -0.694 11 HB2 DTR 2 HB2 DTR 2 6.655 3.166 -2.781 12 HB3 DTR 2 HB1 DTR 2 8.263 2.549 -3.138 13 HD1 DTR 2 HD1 DTR 2 4.591 1.884 -3.796 14 HE1 DTR 2 HE1 DTR 2 4.372 -0.004 -5.531 15 HZ2 DTR 2 HZ2 DTR 2 6.046 -1.886 -6.806 16 HH2 DTR 2 HH2 DTR 2 8.399 -2.585 -6.860 17 HZ3 DTR 2 HZ3 DTR 2 10.078 -1.482 -5.473 18 HE3 DTR 2 HE3 DTR 2 9.471 0.370 -3.969 19 H LYS 3 HN LYS 3 8.164 1.177 0.910 20 HA LYS 3 HA LYS 3 11.045 1.171 0.337 21 HB2 LYS 3 HB2 LYS 3 11.198 3.053 1.649 22 HB3 LYS 3 HB1 LYS 3 9.570 2.853 2.275 23 HG2 LYS 3 HG2 LYS 3 11.180 2.756 4.066 24 HG3 LYS 3 HG1 LYS 3 10.397 1.189 3.867 25 HD2 LYS 3 HD2 LYS 3 12.757 0.847 4.209 26 HD3 LYS 3 HD1 LYS 3 12.359 0.435 2.541 27 HE2 LYS 3 HE2 LYS 3 13.127 3.235 2.960 28 HE3 LYS 3 HE1 LYS 3 14.402 2.068 3.303 29 HZ1 LYS 3 HZ1 LYS 3 13.854 1.085 1.059 30 HZ2 LYS 3 HZ2 LYS 3 14.608 2.600 1.043 31 HZ3 LYS 3 HZ3 LYS 3 12.945 2.481 0.760 32 HT5 UVR 4 HT5 UVR 4 8.610 -1.510 -0.600 33 HN UVR 4 HN UVR 4 10.919 -1.068 0.171 34 HA UVR 4 HA UVR 4 10.365 -2.610 2.569 35 HB UVR 4 HB UVR 4 10.312 -4.434 0.512 36 HG1 UVR 4 HG1 UVR 4 12.780 -3.647 1.543 37 HG21 UVR 4 HG21 UVR 4 12.361 -2.389 -0.283 38 HG22 UVR 4 HG22 UVR 4 10.891 -2.775 -1.178 39 HG23 UVR 4 HG23 UVR 4 12.152 -3.993 -0.987 Start of MODEL 23 1 HA UVR 1 HA UVR 1 5.901 -1.968 -1.493 2 HB1 UVR 1 HB1 UVR 1 4.419 -3.044 0.417 3 HB2 UVR 1 HB2 UVR 1 3.694 -1.999 -0.795 4 HD1 UVR 1 HD1 UVR 1 2.805 0.110 -0.248 5 HD2 UVR 1 HD2 UVR 1 4.776 -2.227 2.694 6 HE1 UVR 1 HE1 UVR 1 1.893 1.579 1.513 7 HE2 UVR 1 HE2 UVR 1 3.878 -0.772 4.469 8 HZ UVR 1 HZ UVR 1 2.433 1.136 3.877 9 H DTR 2 HN DTR 2 7.305 -0.295 -1.970 10 HA DTR 2 HA DTR 2 6.744 2.311 -0.696 11 HB2 DTR 2 HB2 DTR 2 6.334 2.858 -2.891 12 HB3 DTR 2 HB1 DTR 2 8.085 3.013 -2.939 13 HD1 DTR 2 HD1 DTR 2 9.434 0.809 -3.947 14 HE1 DTR 2 HE1 DTR 2 8.725 -0.799 -5.828 15 HZ2 DTR 2 HZ2 DTR 2 6.350 -1.552 -7.158 16 HH2 DTR 2 HH2 DTR 2 3.945 -1.055 -7.151 17 HZ3 DTR 2 HZ3 DTR 2 2.997 0.578 -5.604 18 HE3 DTR 2 HE3 DTR 2 4.417 1.783 -3.996 19 H LYS 3 HN LYS 3 8.150 1.121 0.880 20 HA LYS 3 HA LYS 3 11.041 1.158 0.333 21 HB2 LYS 3 HB2 LYS 3 9.577 2.516 2.615 22 HB3 LYS 3 HB1 LYS 3 11.243 1.982 2.795 23 HG2 LYS 3 HG2 LYS 3 11.763 3.390 0.751 24 HG3 LYS 3 HG1 LYS 3 10.153 4.085 0.951 25 HD2 LYS 3 HD2 LYS 3 11.778 5.504 2.033 26 HD3 LYS 3 HD1 LYS 3 10.764 4.739 3.258 27 HE2 LYS 3 HE2 LYS 3 12.471 3.513 4.098 28 HE3 LYS 3 HE1 LYS 3 13.229 3.292 2.521 29 HZ1 LYS 3 HZ1 LYS 3 14.716 4.684 3.512 30 HZ2 LYS 3 HZ2 LYS 3 13.550 5.475 4.449 31 HZ3 LYS 3 HZ3 LYS 3 13.700 5.837 2.804 32 HT5 UVR 4 HT5 UVR 4 8.629 -1.587 -0.626 33 HN UVR 4 HN UVR 4 10.892 -1.086 0.167 34 HA UVR 4 HA UVR 4 10.368 -2.603 2.591 35 HB UVR 4 HB UVR 4 10.313 -4.476 0.594 36 HG1 UVR 4 HG1 UVR 4 11.693 -4.586 2.367 37 HG21 UVR 4 HG21 UVR 4 12.064 -4.042 -1.003 38 HG22 UVR 4 HG22 UVR 4 12.293 -2.420 -0.350 39 HG23 UVR 4 HG23 UVR 4 10.786 -2.838 -1.164