*HEADER UNKNOWN FUNCTION 21-JUL-09 SMS20085 *TITLE SOLUTION STRUCTURE OF SFT-L1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SFT-L1; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; *SOURCE 4 ORGANISM_COMMON: COMMON SUNFLOWER; *SOURCE 5 ORGANISM_TAXID: 4232; *SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS CYCLIC PEPTIDE, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.S.MYLNE, N.L.DALY, M.L.COLGRAVE, E.J.MCCALLUM, A.JONES, D.J.CRAIK assign (resid 10 and name HN ) (resid 9 and name HA) 2.300 0.500 0.500 assign (resid 10 and name HN ) (resid 10 and name HB2) 0 0 2.74 assign (resid 10 and name HN ) (resid 10 and name HB1) 0 0 3.58 assign (resid 8 and name HN ) (resid 8 and name HB) 2.395 0.595 0.595 assign (resid 9 and name HN ) (resid 9 and name HB1) 0 0 3.5 assign (resid 9 and name HN ) (resid 9 and name HB2) 0 0 5 assign (resid 4 and name HN ) (resid 4 and name HA) 2.250 0.450 0.450 assign (resid 12 and name HN ) (resid 12 and name HB2) 3.000 1.200 1.200 assign (resid 12 and name HN ) (resid 12 and name HB1) 3.000 1.200 1.200 assign (resid 4 and name HN ) (resid 4 and name HB#) 2.680 0.880 0.880 assign (resid 3 and name HN ) (resid 3 and name HB) 2.210 0.410 0.410 assign (resid 5 and name HN ) (resid 6 and name HN ) 2.580 0.780 0.780 assign (resid 4 and name HN ) (resid 5 and name HN ) 2.650 0.850 0.850 assign (resid 2 and name HA) (resid 3 and name HN ) 2.100 0.300 0.300 assign (resid 2 and name HB2) (resid 3 and name HN ) 2.580 0.780 0.780 assign (resid 4 and name HA) (resid 5 and name HN ) 2.160 0.360 0.360 assign (resid 3 and name HA) (resid 4 and name HN ) 2.100 0.300 0.300 assign (resid 2 and name HB1) (resid 3 and name HN ) 2.580 0.780 0.780 assign (resid 3 and name HB) (resid 4 and name HN ) 2.595 0.795 0.795 assign (resid 8 and name HA) (resid 9 and name HN ) 2.100 0.300 0.300 assign (resid 4 and name HA) (resid 6 and name HN ) 3.260 1.460 1.460 assign (resid 8 and name HB) (resid 9 and name HN ) 3.155 1.355 1.355 assign (resid 11 and name HB2) (resid 12 and name HN ) 2.380 0.580 0.580 assign (resid 11 and name HB1) (resid 12 and name HN ) 3.075 1.275 1.275 assign (resid 2 and name HA) (resid 10 and name HN ) 2.455 0.655 0.655 assign (resid 10 and name HN ) (resid 9 and name HB2) 0 0 3.67 assign (resid 10 and name HN ) (resid 9 and name HB1) 0 0 3.02 assign (resid 3 and name HN ) (resid 9 and name HA) 3.000 1.200 1.200 assign (resid 1 and name HN ) (resid 11 and name HA) 2.795 0.995 0.995 assign (resid 1 and name HN ) (resid 12 and name HA) 2.520 0.720 0.720 assign (resid 4 and name HN ) (resid 4 and name HG#) 4.090 2.290 2.290 assign (resid 3 and name HN ) (resid 3 and name HG12) 2.595 0.795 0.795 assign (resid 3 and name HN ) (resid 3 and name HG11) 2.595 0.795 0.795 assign (resid 7 and name HG1) (resid 8 and name HN ) 3.635 1.835 1.835 assign (resid 7 and name HG2) (resid 8 and name HN ) 3.635 1.835 1.835 assign (resid 11 and name HD#) (resid 12 and name HN ) 3.660 1.860 1.860 assign (resid 10 and name HD#) (resid 11 and name HD#) 4.970 3.170 3.170 assign (resid 3 and name HG12) (resid 4 and name HN ) 3.650 1.850 1.850 assign (resid 3 and name HG11) (resid 4 and name HN ) 3.650 1.850 1.850 assign (resid 1 and name HN ) (resid 12 and name HB1) 3.650 1.850 1.850 assign (resid 1 and name HN ) (resid 12 and name HB2) 3.650 1.850 1.850 assign (resid 8 and name HN ) (resid 8 and name HG1#) 3.185 1.385 1.385 assign (resid 8 and name HN ) (resid 8 and name HG2#) 4.160 2.360 2.360 assign (resid 3 and name HN ) (resid 3 and name HG2#) 3.630 1.830 1.830 assign (resid 3 and name HN ) (resid 3 and name HD1#) 4.160 2.360 2.360 assign (resid 8 and name HG2#) (resid 9 and name HN ) 0 0 6.52 assign (resid 8 and name HG1#) (resid 9 and name HN ) 0 0 6.52 assign (resid 3 and name HG2#) (resid 4 and name HN ) 3.215 1.415 1.415 assign (resid 1 and name HN ) (resid 1 and name HA#) 2.125 0.325 0.325 assign (resid 1 and name HN ) (resid 10 and name HB#) 3.500 1.700 1.700 assign (resid 2 and name HA) (resid 9 and name HB#) 3.105 1.305 1.305 assign (resid 2 and name HB#) (resid 3 and name HN ) 2.305 0.505 0.505 assign (resid 5 and name HN ) (resid 5 and name HA#) 2.180 0.380 0.380 assign (resid 7 and name HG#) (resid 8 and name HN ) 3.300 1.500 1.500 assign (resid 7 and name HD#) (resid 8 and name HN ) 2.545 0.745 0.745 assign (resid 10 and name HB#) (resid 12 and name HN ) 2.545 0.745 0.745 assign (resid 12 and name HN ) (resid 12 and name HB#) 2.690 0.890 0.890 assign (resid 5 and name HN ) (resid 3 and name O) 1.900 0.100 0.100 assign (resid 5 and name N) (resid 3 and name O) 2.400 0.600 0.600 assign (resid 1 and name HN ) (resid 11 and name O) 1.900 0.100 0.100 assign (resid 1 and name N) (resid 11 and name O) 2.400 0.600 0.600 !residue 2 assign (resid 1 and name C)(resid 2 and name N) (resid 2 and name CA)(resid 2 and name C) 1 -100 80 2 !residue 3 assign (resid 2 and name C)(resid 3 and name N) (resid 3 and name CA)(resid 3 and name C) 1 -120 30 2 !residue 4 assign (resid 3 and name C)(resid 4 and name N) (resid 4 and name CA)(resid 4 and name C) 1 -60 30 2 !residue 6 assign (resid 5 and name C)(resid 6 and name N) (resid 6 and name CA)(resid 6 and name C) 1 -120 30 2 !residue 8 assign (resid 7 and name C)(resid 8 and name N) (resid 8 and name CA)(resid 8 and name C) 1 -120 30 2 !residue 9 assign (resid 8 and name C)(resid 9 and name N) (resid 9 and name CA)(resid 9 and name C) 1 -100 80 2 !residue 10 assign (resid 9 and name C)(resid 10 and name N) (resid 10 and name CA)(resid 10 and name C) 1 -120 30 2 !residue 9 assign (resid 9 and name N) (resid 9 and name CA) (resid 9 and name CB) (resid 9 and name SG) 1 -60 30 2 !residue 10 assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name CB) (resid 10 and name CG) 1 -60 30 2 !residue 8 assign (resid 8 and name N) (resid 8 and name CA) (resid 8 and name CB) (resid 8 and name CG1) 1 180 30 2 !residue 2 assign (resid 2 and name N) (resid 2 and name CA) (resid 2 and name CB) (resid 2 and name CG) 1 -60 30 2 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.164 0.007 -0.583 2 HA2 GLY 1 2HA GLY 1 4.741 -0.642 -2.314 3 HA3 GLY 1 1HA GLY 1 4.967 -2.317 -1.841 4 H CYS 2 H CYS 2 2.479 -1.485 -2.549 5 HA CYS 2 HA CYS 2 0.964 -0.714 -0.219 6 HB2 CYS 2 2HB CYS 2 -0.383 -1.889 -2.590 7 HB3 CYS 2 1HB CYS 2 -0.845 -0.507 -1.611 8 H ILE 3 H ILE 3 -0.451 -2.017 0.925 9 HA ILE 3 HA ILE 3 0.222 -4.846 0.941 10 HB ILE 3 HB ILE 3 -1.702 -3.485 2.800 11 HG12 ILE 3 2HG1 ILE 3 1.301 -3.670 3.123 12 HG13 ILE 3 1HG1 ILE 3 0.403 -2.192 2.795 13 HG21 ILE 3 1HG2 ILE 3 -0.061 -5.451 4.036 14 HG22 ILE 3 2HG2 ILE 3 -0.715 -6.123 2.542 15 HG23 ILE 3 3HG2 ILE 3 -1.805 -5.478 3.770 16 HD11 ILE 3 3HD1 ILE 3 0.599 -3.777 5.303 17 HD12 ILE 3 1HD1 ILE 3 -0.856 -2.831 4.994 18 HD13 ILE 3 2HD1 ILE 3 0.717 -2.035 5.053 19 H GLU 4 H GLU 4 -1.413 -6.471 0.900 20 HA GLU 4 HA GLU 4 -3.422 -5.992 -1.046 21 HB2 GLU 4 2HB GLU 4 -3.904 -8.373 -0.884 22 HB3 GLU 4 1HB GLU 4 -2.172 -8.104 -0.978 23 HG2 GLU 4 2HG GLU 4 -3.606 -8.551 1.627 24 HG3 GLU 4 1HG GLU 4 -2.978 -9.869 0.646 25 H GLY 5 H GLY 5 -3.957 -4.361 1.010 26 HA2 GLY 5 2HA GLY 5 -6.667 -4.670 1.450 27 HA3 GLY 5 1HA GLY 5 -5.879 -5.383 2.851 28 H SER 6 H SER 6 -4.789 -2.600 0.972 29 HA SER 6 HA SER 6 -5.623 -0.763 3.056 30 HB2 SER 6 2HB SER 6 -2.696 -1.104 2.345 31 HB3 SER 6 1HB SER 6 -3.360 0.107 3.442 32 HG SER 6 HG SER 6 -4.241 -2.254 4.247 33 HA PRO 7 HA PRO 7 -6.200 1.587 -0.683 34 HB2 PRO 7 2HB PRO 7 -6.587 3.869 1.142 35 HB3 PRO 7 1HB PRO 7 -7.713 3.156 -0.016 36 HG2 PRO 7 2HG PRO 7 -8.043 2.859 2.630 37 HG3 PRO 7 1HG PRO 7 -8.465 1.571 1.485 38 HD2 PRO 7 2HD PRO 7 -6.044 1.839 3.230 39 HD3 PRO 7 1HD PRO 7 -7.015 0.396 2.863 40 H VAL 8 H VAL 8 -4.345 2.960 2.010 41 HA VAL 8 HA VAL 8 -2.753 4.563 0.180 42 HB VAL 8 HB VAL 8 -2.516 4.308 3.187 43 HG11 VAL 8 1HG1 VAL 8 -1.573 6.687 1.682 44 HG12 VAL 8 2HG1 VAL 8 -0.595 5.221 1.605 45 HG13 VAL 8 3HG1 VAL 8 -0.950 5.964 3.165 46 HG21 VAL 8 3HG2 VAL 8 -3.574 6.812 2.158 47 HG22 VAL 8 1HG2 VAL 8 -4.171 5.779 3.458 48 HG23 VAL 8 2HG2 VAL 8 -4.610 5.434 1.785 49 H CYS 9 H CYS 9 -0.843 3.913 -0.594 50 HA CYS 9 HA CYS 9 0.162 1.328 0.064 51 HB2 CYS 9 2HB CYS 9 1.319 3.491 -1.681 52 HB3 CYS 9 1HB CYS 9 1.930 1.855 -1.569 53 H PHE 10 H PHE 10 2.113 0.808 0.936 54 HA PHE 10 HA PHE 10 3.214 2.762 2.809 55 HB2 PHE 10 2HB PHE 10 3.317 -0.257 2.662 56 HB3 PHE 10 1HB PHE 10 4.354 0.660 3.746 57 HD1 PHE 10 1HD PHE 10 0.728 0.866 2.839 58 HD2 PHE 10 2HD PHE 10 3.650 0.480 5.909 59 HE1 PHE 10 1HE PHE 10 -1.055 0.892 4.534 60 HE2 PHE 10 2HE PHE 10 1.873 0.505 7.609 61 HZ PHE 10 HZ PHE 10 -0.484 0.711 6.922 62 HA PRO 11 HA PRO 11 7.072 3.260 0.703 63 HB2 PRO 11 2HB PRO 11 8.556 1.959 2.928 64 HB3 PRO 11 1HB PRO 11 8.776 3.561 2.216 65 HG2 PRO 11 2HG PRO 11 7.640 3.272 4.612 66 HG3 PRO 11 1HG PRO 11 7.065 4.498 3.467 67 HD2 PRO 11 2HD PRO 11 5.866 1.856 4.180 68 HD3 PRO 11 1HD PRO 11 5.066 3.400 3.821 69 H ASP 12 H ASP 12 6.888 0.185 2.442 70 HA ASP 12 HA ASP 12 8.476 -1.213 0.478 71 HB2 ASP 12 2HB ASP 12 7.534 -3.200 2.006 72 HB3 ASP 12 1HB ASP 12 8.888 -2.190 2.502 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.219 0.024 -0.452 2 HA2 GLY 1 2HA GLY 1 4.990 -0.762 -2.282 3 HA3 GLY 1 1HA GLY 1 5.251 -2.406 -1.726 4 H CYS 2 H CYS 2 2.791 -1.617 -2.666 5 HA CYS 2 HA CYS 2 1.062 -0.866 -0.496 6 HB2 CYS 2 2HB CYS 2 0.067 -2.168 -2.999 7 HB3 CYS 2 1HB CYS 2 -0.687 -0.916 -2.029 8 H ILE 3 H ILE 3 -0.511 -2.200 0.472 9 HA ILE 3 HA ILE 3 0.180 -5.054 0.462 10 HB ILE 3 HB ILE 3 -1.407 -3.674 2.595 11 HG12 ILE 3 2HG1 ILE 3 1.602 -3.974 2.498 12 HG13 ILE 3 1HG1 ILE 3 0.717 -2.458 2.400 13 HG21 ILE 3 1HG2 ILE 3 -0.343 -5.552 3.962 14 HG22 ILE 3 2HG2 ILE 3 0.125 -6.245 2.410 15 HG23 ILE 3 3HG2 ILE 3 -1.580 -6.003 2.788 16 HD11 ILE 3 3HD1 ILE 3 1.748 -3.620 4.678 17 HD12 ILE 3 1HD1 ILE 3 0.020 -3.962 4.770 18 HD13 ILE 3 2HD1 ILE 3 0.581 -2.299 4.607 19 H GLU 4 H GLU 4 -1.550 -6.550 0.507 20 HA GLU 4 HA GLU 4 -3.779 -5.814 -1.090 21 HB2 GLU 4 2HB GLU 4 -3.197 -8.435 0.290 22 HB3 GLU 4 1HB GLU 4 -4.402 -8.180 -0.966 23 HG2 GLU 4 2HG GLU 4 -1.413 -7.983 -1.241 24 HG3 GLU 4 1HG GLU 4 -2.478 -9.201 -1.943 25 H GLY 5 H GLY 5 -4.087 -4.238 0.927 26 HA2 GLY 5 2HA GLY 5 -6.639 -4.558 1.879 27 HA3 GLY 5 1HA GLY 5 -5.614 -5.290 3.109 28 H SER 6 H SER 6 -4.879 -2.510 1.072 29 HA SER 6 HA SER 6 -5.252 -0.678 3.293 30 HB2 SER 6 2HB SER 6 -2.894 0.183 3.032 31 HB3 SER 6 1HB SER 6 -3.003 -1.432 3.735 32 HG SER 6 HG SER 6 -2.780 -1.259 0.961 33 HA PRO 7 HA PRO 7 -6.540 1.712 -0.249 34 HB2 PRO 7 2HB PRO 7 -6.523 3.985 1.627 35 HB3 PRO 7 1HB PRO 7 -7.870 3.295 0.716 36 HG2 PRO 7 2HG PRO 7 -7.663 2.988 3.375 37 HG3 PRO 7 1HG PRO 7 -8.332 1.717 2.335 38 HD2 PRO 7 2HD PRO 7 -5.606 1.927 3.559 39 HD3 PRO 7 1HD PRO 7 -6.658 0.505 3.385 40 H VAL 8 H VAL 8 -4.188 3.035 2.045 41 HA VAL 8 HA VAL 8 -2.840 4.441 -0.146 42 HB VAL 8 HB VAL 8 -2.377 4.705 2.836 43 HG11 VAL 8 1HG1 VAL 8 -0.683 5.394 0.810 44 HG12 VAL 8 2HG1 VAL 8 -0.717 6.146 2.405 45 HG13 VAL 8 3HG1 VAL 8 -1.581 6.892 1.061 46 HG21 VAL 8 3HG2 VAL 8 -4.508 5.586 2.551 47 HG22 VAL 8 1HG2 VAL 8 -4.141 6.220 0.947 48 HG23 VAL 8 2HG2 VAL 8 -3.469 7.001 2.379 49 H CYS 9 H CYS 9 -0.908 3.733 -0.871 50 HA CYS 9 HA CYS 9 0.073 1.215 -0.037 51 HB2 CYS 9 2HB CYS 9 1.324 3.296 -1.817 52 HB3 CYS 9 1HB CYS 9 1.923 1.665 -1.612 53 H PHE 10 H PHE 10 1.974 0.683 0.921 54 HA PHE 10 HA PHE 10 3.019 2.632 2.819 55 HB2 PHE 10 2HB PHE 10 3.248 -0.377 2.587 56 HB3 PHE 10 1HB PHE 10 4.211 0.552 3.727 57 HD1 PHE 10 2HD PHE 10 0.605 0.602 2.718 58 HD2 PHE 10 1HD PHE 10 3.455 0.297 5.864 59 HE1 PHE 10 2HE PHE 10 -1.224 0.485 4.358 60 HE2 PHE 10 1HE PHE 10 1.629 0.176 7.510 61 HZ PHE 10 HZ PHE 10 -0.714 0.273 6.757 62 HA PRO 11 HA PRO 11 6.869 3.332 0.764 63 HB2 PRO 11 2HB PRO 11 8.367 2.198 3.065 64 HB3 PRO 11 1HB PRO 11 8.492 3.796 2.322 65 HG2 PRO 11 2HG PRO 11 7.309 3.475 4.693 66 HG3 PRO 11 1HG PRO 11 6.684 4.633 3.504 67 HD2 PRO 11 2HD PRO 11 5.656 1.922 4.235 68 HD3 PRO 11 1HD PRO 11 4.757 3.399 3.832 69 H ASP 12 H ASP 12 6.789 0.305 2.586 70 HA ASP 12 HA ASP 12 8.560 -1.063 0.770 71 HB2 ASP 12 2HB ASP 12 7.905 -3.056 2.231 72 HB3 ASP 12 1HB ASP 12 8.748 -1.734 3.030 Start of MODEL 3 1 H1 GLY 1 H GLY 1 6.220 -0.108 -0.618 2 HA2 GLY 1 2HA GLY 1 4.824 -0.893 -2.314 3 HA3 GLY 1 1HA GLY 1 5.108 -2.534 -1.755 4 H CYS 2 H CYS 2 2.582 -1.376 -2.510 5 HA CYS 2 HA CYS 2 1.079 -0.736 -0.171 6 HB2 CYS 2 2HB CYS 2 -0.278 -1.880 -2.554 7 HB3 CYS 2 1HB CYS 2 -0.737 -0.509 -1.558 8 H ILE 3 H ILE 3 -0.370 -2.032 0.956 9 HA ILE 3 HA ILE 3 0.284 -4.866 0.950 10 HB ILE 3 HB ILE 3 -1.636 -3.505 2.815 11 HG12 ILE 3 2HG1 ILE 3 1.362 -3.748 3.150 12 HG13 ILE 3 1HG1 ILE 3 0.488 -2.249 2.850 13 HG21 ILE 3 1HG2 ILE 3 -0.064 -5.508 4.056 14 HG22 ILE 3 2HG2 ILE 3 -0.665 -6.157 2.530 15 HG23 ILE 3 3HG2 ILE 3 -1.796 -5.522 3.725 16 HD11 ILE 3 3HD1 ILE 3 -0.779 -3.160 5.065 17 HD12 ILE 3 1HD1 ILE 3 0.578 -2.032 5.072 18 HD13 ILE 3 2HD1 ILE 3 0.860 -3.754 5.331 19 H GLU 4 H GLU 4 -1.368 -6.472 0.885 20 HA GLU 4 HA GLU 4 -3.370 -5.968 -1.067 21 HB2 GLU 4 2HB GLU 4 -2.878 -8.454 0.575 22 HB3 GLU 4 1HB GLU 4 -3.876 -8.353 -0.870 23 HG2 GLU 4 2HG GLU 4 -1.928 -7.816 -2.209 24 HG3 GLU 4 1HG GLU 4 -0.914 -7.831 -0.768 25 H GLY 5 H GLY 5 -4.033 -4.292 0.818 26 HA2 GLY 5 2HA GLY 5 -6.677 -4.621 1.361 27 HA3 GLY 5 1HA GLY 5 -5.888 -5.378 2.738 28 H SER 6 H SER 6 -4.843 -2.537 0.911 29 HA SER 6 HA SER 6 -5.603 -0.769 3.081 30 HB2 SER 6 2HB SER 6 -2.705 -1.051 2.234 31 HB3 SER 6 1HB SER 6 -3.337 0.085 3.426 32 HG SER 6 HG SER 6 -4.165 -2.281 4.185 33 HA PRO 7 HA PRO 7 -6.325 1.694 -0.561 34 HB2 PRO 7 2HB PRO 7 -6.632 3.925 1.339 35 HB3 PRO 7 1HB PRO 7 -7.808 3.243 0.212 36 HG2 PRO 7 2HG PRO 7 -8.020 2.878 2.864 37 HG3 PRO 7 1HG PRO 7 -8.500 1.625 1.706 38 HD2 PRO 7 2HD PRO 7 -6.004 1.834 3.349 39 HD3 PRO 7 1HD PRO 7 -6.995 0.406 2.983 40 H VAL 8 H VAL 8 -4.384 3.021 2.095 41 HA VAL 8 HA VAL 8 -2.835 4.636 0.236 42 HB VAL 8 HB VAL 8 -2.529 4.361 3.235 43 HG11 VAL 8 1HG1 VAL 8 -1.121 6.251 3.166 44 HG12 VAL 8 2HG1 VAL 8 -1.536 6.596 1.487 45 HG13 VAL 8 3HG1 VAL 8 -0.552 5.186 1.881 46 HG21 VAL 8 3HG2 VAL 8 -4.048 6.002 3.575 47 HG22 VAL 8 1HG2 VAL 8 -4.706 5.395 2.055 48 HG23 VAL 8 2HG2 VAL 8 -3.667 6.820 2.059 49 H CYS 9 H CYS 9 -0.927 3.996 -0.572 50 HA CYS 9 HA CYS 9 0.062 1.393 0.020 51 HB2 CYS 9 2HB CYS 9 1.148 3.600 -1.707 52 HB3 CYS 9 1HB CYS 9 1.895 2.025 -1.563 53 H PHE 10 H PHE 10 2.029 0.831 0.827 54 HA PHE 10 HA PHE 10 3.171 2.706 2.759 55 HB2 PHE 10 2HB PHE 10 3.213 -0.310 2.546 56 HB3 PHE 10 1HB PHE 10 4.269 0.564 3.645 57 HD1 PHE 10 1HD PHE 10 0.638 0.778 2.750 58 HD2 PHE 10 2HD PHE 10 3.573 0.428 5.813 59 HE1 PHE 10 1HE PHE 10 -1.139 0.800 4.450 60 HE2 PHE 10 2HE PHE 10 1.800 0.448 7.517 61 HZ PHE 10 HZ PHE 10 -0.559 0.635 6.837 62 HA PRO 11 HA PRO 11 6.974 3.238 0.579 63 HB2 PRO 11 2HB PRO 11 8.457 2.044 2.867 64 HB3 PRO 11 1HB PRO 11 8.675 3.612 2.080 65 HG2 PRO 11 2HG PRO 11 7.518 3.437 4.475 66 HG3 PRO 11 1HG PRO 11 6.940 4.595 3.263 67 HD2 PRO 11 2HD PRO 11 5.760 1.985 4.109 68 HD3 PRO 11 1HD PRO 11 4.948 3.496 3.651 69 H ASP 12 H ASP 12 6.944 0.229 2.454 70 HA ASP 12 HA ASP 12 8.567 -1.191 0.550 71 HB2 ASP 12 2HB ASP 12 6.961 -2.353 2.834 72 HB3 ASP 12 1HB ASP 12 8.363 -3.062 2.042 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.178 0.024 -0.478 2 HA2 GLY 1 2HA GLY 1 4.888 -0.710 -2.283 3 HA3 GLY 1 1HA GLY 1 5.161 -2.369 -1.776 4 H CYS 2 H CYS 2 2.674 -1.522 -2.628 5 HA CYS 2 HA CYS 2 1.012 -0.833 -0.390 6 HB2 CYS 2 2HB CYS 2 -0.110 -2.080 -2.854 7 HB3 CYS 2 1HB CYS 2 -0.754 -0.774 -1.876 8 H ILE 3 H ILE 3 -0.482 -2.180 0.643 9 HA ILE 3 HA ILE 3 0.227 -5.024 0.583 10 HB ILE 3 HB ILE 3 -1.443 -3.677 2.682 11 HG12 ILE 3 2HG1 ILE 3 1.568 -3.979 2.680 12 HG13 ILE 3 1HG1 ILE 3 0.695 -2.460 2.526 13 HG21 ILE 3 1HG2 ILE 3 0.210 -6.193 2.648 14 HG22 ILE 3 2HG2 ILE 3 -1.547 -6.071 2.724 15 HG23 ILE 3 3HG2 ILE 3 -0.566 -5.535 4.089 16 HD11 ILE 3 3HD1 ILE 3 1.133 -2.359 4.733 17 HD12 ILE 3 1HD1 ILE 3 1.224 -4.112 4.910 18 HD13 ILE 3 2HD1 ILE 3 -0.347 -3.314 4.829 19 H GLU 4 H GLU 4 -1.487 -6.572 0.652 20 HA GLU 4 HA GLU 4 -3.662 -5.953 -1.061 21 HB2 GLU 4 2HB GLU 4 -3.039 -8.478 0.474 22 HB3 GLU 4 1HB GLU 4 -4.275 -8.334 -0.768 23 HG2 GLU 4 2HG GLU 4 -1.331 -7.895 -1.216 24 HG3 GLU 4 1HG GLU 4 -2.195 -9.391 -1.565 25 H GLY 5 H GLY 5 -4.084 -4.280 0.865 26 HA2 GLY 5 2HA GLY 5 -6.657 -4.543 1.712 27 HA3 GLY 5 1HA GLY 5 -5.724 -5.295 3.000 28 H SER 6 H SER 6 -4.860 -2.517 0.995 29 HA SER 6 HA SER 6 -5.281 -0.697 3.218 30 HB2 SER 6 2HB SER 6 -2.915 0.140 3.052 31 HB3 SER 6 1HB SER 6 -3.047 -1.493 3.705 32 HG SER 6 HG SER 6 -2.739 -1.223 0.944 33 HA PRO 7 HA PRO 7 -6.451 1.712 -0.356 34 HB2 PRO 7 2HB PRO 7 -6.529 3.959 1.548 35 HB3 PRO 7 1HB PRO 7 -7.829 3.278 0.567 36 HG2 PRO 7 2HG PRO 7 -7.743 2.931 3.228 37 HG3 PRO 7 1HG PRO 7 -8.356 1.671 2.141 38 HD2 PRO 7 2HD PRO 7 -5.691 1.878 3.492 39 HD3 PRO 7 1HD PRO 7 -6.722 0.453 3.247 40 H VAL 8 H VAL 8 -4.228 3.052 2.056 41 HA VAL 8 HA VAL 8 -2.810 4.519 -0.041 42 HB VAL 8 HB VAL 8 -2.405 4.629 2.958 43 HG11 VAL 8 1HG1 VAL 8 -1.545 6.801 1.122 44 HG12 VAL 8 2HG1 VAL 8 -0.572 5.331 1.183 45 HG13 VAL 8 3HG1 VAL 8 -0.847 6.267 2.651 46 HG21 VAL 8 3HG2 VAL 8 -3.946 6.262 3.142 47 HG22 VAL 8 1HG2 VAL 8 -4.614 5.522 1.688 48 HG23 VAL 8 2HG2 VAL 8 -3.572 6.940 1.558 49 H CYS 9 H CYS 9 -0.898 3.807 -0.795 50 HA CYS 9 HA CYS 9 0.080 1.268 -0.012 51 HB2 CYS 9 2HB CYS 9 1.310 3.364 -1.786 52 HB3 CYS 9 1HB CYS 9 1.912 1.732 -1.603 53 H PHE 10 H PHE 10 1.983 0.720 0.925 54 HA PHE 10 HA PHE 10 3.060 2.650 2.824 55 HB2 PHE 10 2HB PHE 10 3.256 -0.360 2.581 56 HB3 PHE 10 1HB PHE 10 4.232 0.556 3.722 57 HD1 PHE 10 1HD PHE 10 0.622 0.614 2.724 58 HD2 PHE 10 2HD PHE 10 3.484 0.329 5.862 59 HE1 PHE 10 1HE PHE 10 -1.201 0.519 4.373 60 HE2 PHE 10 2HE PHE 10 1.665 0.233 7.516 61 HZ PHE 10 HZ PHE 10 -0.681 0.327 6.772 62 HA PRO 11 HA PRO 11 6.907 3.310 0.748 63 HB2 PRO 11 2HB PRO 11 8.406 2.125 3.025 64 HB3 PRO 11 1HB PRO 11 8.553 3.728 2.296 65 HG2 PRO 11 2HG PRO 11 7.384 3.407 4.673 66 HG3 PRO 11 1HG PRO 11 6.767 4.585 3.498 67 HD2 PRO 11 2HD PRO 11 5.702 1.885 4.216 68 HD3 PRO 11 1HD PRO 11 4.824 3.380 3.834 69 H ASP 12 H ASP 12 6.804 0.266 2.544 70 HA ASP 12 HA ASP 12 8.528 -1.111 0.686 71 HB2 ASP 12 2HB ASP 12 7.875 -3.106 2.140 72 HB3 ASP 12 1HB ASP 12 8.738 -1.800 2.942 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.232 -0.102 -0.653 2 HA2 GLY 1 2HA GLY 1 4.805 -0.854 -2.333 3 HA3 GLY 1 1HA GLY 1 5.079 -2.503 -1.793 4 H CYS 2 H CYS 2 2.558 -1.375 -2.525 5 HA CYS 2 HA CYS 2 1.064 -0.710 -0.184 6 HB2 CYS 2 2HB CYS 2 -0.296 -1.876 -2.558 7 HB3 CYS 2 1HB CYS 2 -0.760 -0.503 -1.568 8 H ILE 3 H ILE 3 -0.388 -2.005 0.952 9 HA ILE 3 HA ILE 3 0.286 -4.834 0.974 10 HB ILE 3 HB ILE 3 -1.651 -3.470 2.820 11 HG12 ILE 3 2HG1 ILE 3 1.349 -3.686 3.163 12 HG13 ILE 3 1HG1 ILE 3 0.463 -2.198 2.850 13 HG21 ILE 3 1HG2 ILE 3 -1.588 -5.929 2.818 14 HG22 ILE 3 2HG2 ILE 3 -1.063 -5.249 4.359 15 HG23 ILE 3 3HG2 ILE 3 0.128 -5.869 3.217 16 HD11 ILE 3 3HD1 ILE 3 1.208 -2.864 5.273 17 HD12 ILE 3 1HD1 ILE 3 -0.279 -3.812 5.231 18 HD13 ILE 3 2HD1 ILE 3 -0.338 -2.068 4.982 19 H GLU 4 H GLU 4 -1.354 -6.454 0.922 20 HA GLU 4 HA GLU 4 -3.351 -5.988 -1.044 21 HB2 GLU 4 2HB GLU 4 -2.850 -8.449 0.631 22 HB3 GLU 4 1HB GLU 4 -3.839 -8.375 -0.821 23 HG2 GLU 4 2HG GLU 4 -1.889 -7.841 -2.156 24 HG3 GLU 4 1HG GLU 4 -0.881 -7.827 -0.709 25 H GLY 5 H GLY 5 -4.036 -4.296 0.819 26 HA2 GLY 5 2HA GLY 5 -6.677 -4.628 1.351 27 HA3 GLY 5 1HA GLY 5 -5.897 -5.380 2.736 28 H SER 6 H SER 6 -4.837 -2.545 0.910 29 HA SER 6 HA SER 6 -5.620 -0.770 3.066 30 HB2 SER 6 2HB SER 6 -2.713 -1.057 2.252 31 HB3 SER 6 1HB SER 6 -3.356 0.086 3.431 32 HG SER 6 HG SER 6 -4.194 -2.277 4.191 33 HA PRO 7 HA PRO 7 -6.303 1.679 -0.592 34 HB2 PRO 7 2HB PRO 7 -6.633 3.917 1.296 35 HB3 PRO 7 1HB PRO 7 -7.796 3.229 0.160 36 HG2 PRO 7 2HG PRO 7 -8.037 2.875 2.811 37 HG3 PRO 7 1HG PRO 7 -8.502 1.616 1.651 38 HD2 PRO 7 2HD PRO 7 -6.023 1.835 3.319 39 HD3 PRO 7 1HD PRO 7 -7.010 0.404 2.951 40 H VAL 8 H VAL 8 -4.383 3.006 2.079 41 HA VAL 8 HA VAL 8 -2.822 4.625 0.235 42 HB VAL 8 HB VAL 8 -2.535 4.340 3.235 43 HG11 VAL 8 1HG1 VAL 8 -1.616 6.758 1.807 44 HG12 VAL 8 2HG1 VAL 8 -0.664 5.291 1.574 45 HG13 VAL 8 3HG1 VAL 8 -0.921 5.926 3.198 46 HG21 VAL 8 3HG2 VAL 8 -4.531 5.394 3.226 47 HG22 VAL 8 1HG2 VAL 8 -4.346 5.959 1.565 48 HG23 VAL 8 2HG2 VAL 8 -3.543 6.814 2.882 49 H CYS 9 H CYS 9 -0.915 3.984 -0.568 50 HA CYS 9 HA CYS 9 0.076 1.382 0.029 51 HB2 CYS 9 2HB CYS 9 1.177 3.584 -1.695 52 HB3 CYS 9 1HB CYS 9 1.897 1.995 -1.562 53 H PHE 10 H PHE 10 2.037 0.822 0.849 54 HA PHE 10 HA PHE 10 3.175 2.709 2.772 55 HB2 PHE 10 2HB PHE 10 3.203 -0.309 2.579 56 HB3 PHE 10 1HB PHE 10 4.275 0.564 3.664 57 HD1 PHE 10 1HD PHE 10 0.643 0.848 2.798 58 HD2 PHE 10 2HD PHE 10 3.592 0.406 5.835 59 HE1 PHE 10 1HE PHE 10 -1.120 0.898 4.512 60 HE2 PHE 10 2HE PHE 10 1.834 0.455 7.554 61 HZ PHE 10 HZ PHE 10 -0.526 0.701 6.894 62 HA PRO 11 HA PRO 11 6.992 3.238 0.622 63 HB2 PRO 11 2HB PRO 11 8.453 2.001 2.905 64 HB3 PRO 11 1HB PRO 11 8.698 3.572 2.131 65 HG2 PRO 11 2HG PRO 11 7.525 3.398 4.516 66 HG3 PRO 11 1HG PRO 11 6.967 4.570 3.307 67 HD2 PRO 11 2HD PRO 11 5.750 1.972 4.137 68 HD3 PRO 11 1HD PRO 11 4.960 3.493 3.675 69 H ASP 12 H ASP 12 6.929 0.196 2.445 70 HA ASP 12 HA ASP 12 8.544 -1.196 0.506 71 HB2 ASP 12 2HB ASP 12 6.990 -2.287 2.865 72 HB3 ASP 12 1HB ASP 12 8.257 -3.124 1.972 Start of MODEL 6 1 H1 GLY 1 H GLY 1 6.174 -0.031 -0.519 2 HA2 GLY 1 2HA GLY 1 4.833 -0.730 -2.299 3 HA3 GLY 1 1HA GLY 1 5.085 -2.396 -1.805 4 H CYS 2 H CYS 2 2.587 -1.421 -2.602 5 HA CYS 2 HA CYS 2 1.008 -0.746 -0.309 6 HB2 CYS 2 2HB CYS 2 -0.259 -1.934 -2.718 7 HB3 CYS 2 1HB CYS 2 -0.779 -0.577 -1.738 8 H ILE 3 H ILE 3 -0.391 -2.055 0.819 9 HA ILE 3 HA ILE 3 0.265 -4.894 0.787 10 HB ILE 3 HB ILE 3 -1.558 -3.527 2.744 11 HG12 ILE 3 2HG1 ILE 3 1.449 -3.810 2.944 12 HG13 ILE 3 1HG1 ILE 3 0.581 -2.298 2.701 13 HG21 ILE 3 1HG2 ILE 3 -1.489 -6.018 2.638 14 HG22 ILE 3 2HG2 ILE 3 -1.028 -5.349 4.204 15 HG23 ILE 3 3HG2 ILE 3 0.213 -5.937 3.095 16 HD11 ILE 3 3HD1 ILE 3 0.618 -2.065 4.903 17 HD12 ILE 3 1HD1 ILE 3 1.164 -3.725 5.139 18 HD13 ILE 3 2HD1 ILE 3 -0.557 -3.377 4.982 19 H GLU 4 H GLU 4 -1.406 -6.481 0.787 20 HA GLU 4 HA GLU 4 -3.486 -5.926 -1.067 21 HB2 GLU 4 2HB GLU 4 -4.041 -8.361 -0.732 22 HB3 GLU 4 1HB GLU 4 -2.405 -8.031 -1.281 23 HG2 GLU 4 2HG GLU 4 -1.674 -8.218 1.117 24 HG3 GLU 4 1HG GLU 4 -3.297 -8.799 1.485 25 H GLY 5 H GLY 5 -3.981 -4.306 0.941 26 HA2 GLY 5 2HA GLY 5 -6.632 -4.628 1.572 27 HA3 GLY 5 1HA GLY 5 -5.767 -5.363 2.916 28 H SER 6 H SER 6 -4.824 -2.551 0.994 29 HA SER 6 HA SER 6 -5.473 -0.744 3.169 30 HB2 SER 6 2HB SER 6 -2.623 -1.041 2.179 31 HB3 SER 6 1HB SER 6 -3.194 0.111 3.386 32 HG SER 6 HG SER 6 -3.979 -2.242 4.224 33 HA PRO 7 HA PRO 7 -6.374 1.656 -0.475 34 HB2 PRO 7 2HB PRO 7 -6.567 3.931 1.386 35 HB3 PRO 7 1HB PRO 7 -7.807 3.227 0.346 36 HG2 PRO 7 2HG PRO 7 -7.867 2.928 3.016 37 HG3 PRO 7 1HG PRO 7 -8.422 1.651 1.917 38 HD2 PRO 7 2HD PRO 7 -5.834 1.879 3.407 39 HD3 PRO 7 1HD PRO 7 -6.854 0.451 3.131 40 H VAL 8 H VAL 8 -4.302 3.054 2.044 41 HA VAL 8 HA VAL 8 -2.814 4.555 0.035 42 HB VAL 8 HB VAL 8 -2.457 4.528 3.042 43 HG11 VAL 8 1HG1 VAL 8 -0.771 5.495 1.042 44 HG12 VAL 8 2HG1 VAL 8 -0.700 5.863 2.766 45 HG13 VAL 8 3HG1 VAL 8 -1.599 6.918 1.675 46 HG21 VAL 8 3HG2 VAL 8 -3.746 6.521 3.154 47 HG22 VAL 8 1HG2 VAL 8 -4.692 5.354 2.230 48 HG23 VAL 8 2HG2 VAL 8 -3.827 6.645 1.396 49 H CYS 9 H CYS 9 -0.885 3.898 -0.717 50 HA CYS 9 HA CYS 9 0.100 1.328 -0.018 51 HB2 CYS 9 2HB CYS 9 1.295 3.481 -1.747 52 HB3 CYS 9 1HB CYS 9 1.925 1.855 -1.603 53 H PHE 10 H PHE 10 2.025 0.777 0.883 54 HA PHE 10 HA PHE 10 3.116 2.692 2.799 55 HB2 PHE 10 2HB PHE 10 3.234 -0.323 2.589 56 HB3 PHE 10 1HB PHE 10 4.242 0.577 3.713 57 HD1 PHE 10 2HD PHE 10 0.631 0.740 2.734 58 HD2 PHE 10 1HD PHE 10 3.496 0.383 5.860 59 HE1 PHE 10 2HE PHE 10 -1.186 0.708 4.391 60 HE2 PHE 10 1HE PHE 10 1.682 0.347 7.523 61 HZ PHE 10 HZ PHE 10 -0.663 0.512 6.788 62 HA PRO 11 HA PRO 11 6.972 3.241 0.713 63 HB2 PRO 11 2HB PRO 11 8.851 2.332 2.552 64 HB3 PRO 11 1HB PRO 11 8.157 3.956 2.525 65 HG2 PRO 11 2HG PRO 11 7.424 1.607 4.211 66 HG3 PRO 11 1HG PRO 11 7.474 3.327 4.639 67 HD2 PRO 11 2HD PRO 11 5.156 2.058 4.159 68 HD3 PRO 11 1HD PRO 11 5.405 3.751 3.685 69 H ASP 12 H ASP 12 6.817 0.196 2.511 70 HA ASP 12 HA ASP 12 8.496 -1.207 0.632 71 HB2 ASP 12 2HB ASP 12 7.828 -3.196 2.086 72 HB3 ASP 12 1HB ASP 12 8.722 -1.907 2.883 Start of MODEL 7 1 H1 GLY 1 H GLY 1 6.176 -0.062 -0.552 2 HA2 GLY 1 2HA GLY 1 4.801 -0.811 -2.287 3 HA3 GLY 1 1HA GLY 1 5.057 -2.462 -1.748 4 H CYS 2 H CYS 2 2.550 -1.403 -2.525 5 HA CYS 2 HA CYS 2 1.022 -0.710 -0.205 6 HB2 CYS 2 2HB CYS 2 -0.304 -1.882 -2.593 7 HB3 CYS 2 1HB CYS 2 -0.786 -0.512 -1.608 8 H ILE 3 H ILE 3 -0.416 -2.000 0.929 9 HA ILE 3 HA ILE 3 0.244 -4.832 0.953 10 HB ILE 3 HB ILE 3 -1.692 -3.461 2.794 11 HG12 ILE 3 2HG1 ILE 3 1.306 -3.687 3.147 12 HG13 ILE 3 1HG1 ILE 3 0.428 -2.195 2.827 13 HG21 ILE 3 1HG2 ILE 3 -1.845 -5.467 3.727 14 HG22 ILE 3 2HG2 ILE 3 -0.113 -5.446 4.058 15 HG23 ILE 3 3HG2 ILE 3 -0.712 -6.110 2.537 16 HD11 ILE 3 3HD1 ILE 3 -0.385 -2.059 4.955 17 HD12 ILE 3 1HD1 ILE 3 1.160 -2.854 5.253 18 HD13 ILE 3 2HD1 ILE 3 -0.326 -3.803 5.209 19 H GLU 4 H GLU 4 -1.395 -6.443 0.887 20 HA GLU 4 HA GLU 4 -3.396 -5.948 -1.067 21 HB2 GLU 4 2HB GLU 4 -3.923 -8.388 -0.729 22 HB3 GLU 4 1HB GLU 4 -2.267 -8.035 -1.199 23 HG2 GLU 4 2HG GLU 4 -1.658 -8.177 1.235 24 HG3 GLU 4 1HG GLU 4 -3.285 -8.789 1.526 25 H GLY 5 H GLY 5 -4.016 -4.316 0.898 26 HA2 GLY 5 2HA GLY 5 -6.686 -4.660 1.397 27 HA3 GLY 5 1HA GLY 5 -5.890 -5.397 2.782 28 H SER 6 H SER 6 -4.829 -2.574 0.946 29 HA SER 6 HA SER 6 -5.639 -0.778 3.075 30 HB2 SER 6 2HB SER 6 -2.722 -1.077 2.305 31 HB3 SER 6 1HB SER 6 -3.380 0.081 3.460 32 HG SER 6 HG SER 6 -4.232 -2.277 4.232 33 HA PRO 7 HA PRO 7 -6.252 1.628 -0.622 34 HB2 PRO 7 2HB PRO 7 -6.857 3.988 0.623 35 HB3 PRO 7 1HB PRO 7 -8.006 2.663 0.425 36 HG2 PRO 7 2HG PRO 7 -6.372 3.415 2.812 37 HG3 PRO 7 1HG PRO 7 -8.055 2.863 2.733 38 HD2 PRO 7 2HD PRO 7 -6.022 1.227 3.446 39 HD3 PRO 7 1HD PRO 7 -7.453 0.644 2.574 40 H VAL 8 H VAL 8 -4.361 2.955 2.070 41 HA VAL 8 HA VAL 8 -2.799 4.599 0.247 42 HB VAL 8 HB VAL 8 -2.521 4.284 3.245 43 HG11 VAL 8 1HG1 VAL 8 -0.617 5.399 2.956 44 HG12 VAL 8 2HG1 VAL 8 -1.593 6.784 2.468 45 HG13 VAL 8 3HG1 VAL 8 -0.961 5.678 1.248 46 HG21 VAL 8 3HG2 VAL 8 -3.874 6.168 3.550 47 HG22 VAL 8 1HG2 VAL 8 -4.731 5.213 2.341 48 HG23 VAL 8 2HG2 VAL 8 -3.789 6.619 1.848 49 H CYS 9 H CYS 9 -0.894 3.965 -0.566 50 HA CYS 9 HA CYS 9 0.115 1.367 0.031 51 HB2 CYS 9 2HB CYS 9 1.207 3.571 -1.701 52 HB3 CYS 9 1HB CYS 9 1.912 1.975 -1.579 53 H PHE 10 H PHE 10 2.081 0.826 0.853 54 HA PHE 10 HA PHE 10 3.213 2.735 2.758 55 HB2 PHE 10 2HB PHE 10 3.272 -0.283 2.572 56 HB3 PHE 10 1HB PHE 10 4.341 0.604 3.649 57 HD1 PHE 10 1HD PHE 10 0.703 0.870 2.808 58 HD2 PHE 10 2HD PHE 10 3.672 0.420 5.822 59 HE1 PHE 10 1HE PHE 10 -1.050 0.904 4.533 60 HE2 PHE 10 2HE PHE 10 1.924 0.451 7.553 61 HZ PHE 10 HZ PHE 10 -0.440 0.694 6.909 62 HA PRO 11 HA PRO 11 7.013 3.237 0.569 63 HB2 PRO 11 2HB PRO 11 8.926 2.370 2.394 64 HB3 PRO 11 1HB PRO 11 8.235 3.994 2.339 65 HG2 PRO 11 2HG PRO 11 7.530 1.688 4.097 66 HG3 PRO 11 1HG PRO 11 7.588 3.419 4.480 67 HD2 PRO 11 2HD PRO 11 5.261 2.140 4.076 68 HD3 PRO 11 1HD PRO 11 5.502 3.821 3.554 69 H ASP 12 H ASP 12 6.901 0.238 2.446 70 HA ASP 12 HA ASP 12 8.535 -1.212 0.562 71 HB2 ASP 12 2HB ASP 12 7.908 -3.162 2.084 72 HB3 ASP 12 1HB ASP 12 8.816 -1.850 2.826 Start of MODEL 8 1 H1 GLY 1 H GLY 1 6.353 -0.163 -0.821 2 HA2 GLY 1 2HA GLY 1 4.845 -0.971 -2.392 3 HA3 GLY 1 1HA GLY 1 5.091 -2.588 -1.755 4 H CYS 2 H CYS 2 2.589 -1.573 -2.517 5 HA CYS 2 HA CYS 2 1.132 -0.718 -0.190 6 HB2 CYS 2 2HB CYS 2 -0.226 -1.922 -2.559 7 HB3 CYS 2 1HB CYS 2 -0.724 -0.566 -1.563 8 H ILE 3 H ILE 3 -0.416 -1.952 0.941 9 HA ILE 3 HA ILE 3 0.233 -4.783 1.097 10 HB ILE 3 HB ILE 3 -1.771 -3.350 2.806 11 HG12 ILE 3 2HG1 ILE 3 1.214 -3.523 3.283 12 HG13 ILE 3 1HG1 ILE 3 0.337 -2.058 2.856 13 HG21 ILE 3 1HG2 ILE 3 0.046 -5.590 3.613 14 HG22 ILE 3 2HG2 ILE 3 -1.475 -5.894 2.773 15 HG23 ILE 3 3HG2 ILE 3 -1.479 -5.085 4.341 16 HD11 ILE 3 3HD1 ILE 3 -1.030 -2.639 5.021 17 HD12 ILE 3 1HD1 ILE 3 0.517 -1.798 5.109 18 HD13 ILE 3 2HD1 ILE 3 0.436 -3.531 5.431 19 H GLU 4 H GLU 4 -1.365 -6.402 0.984 20 HA GLU 4 HA GLU 4 -3.312 -5.974 -1.046 21 HB2 GLU 4 2HB GLU 4 -3.054 -8.446 0.653 22 HB3 GLU 4 1HB GLU 4 -3.699 -8.323 -0.976 23 HG2 GLU 4 2HG GLU 4 -1.676 -9.172 -1.488 24 HG3 GLU 4 1HG GLU 4 -1.227 -7.467 -1.462 25 H GLY 5 H GLY 5 -4.025 -4.289 0.857 26 HA2 GLY 5 2HA GLY 5 -6.700 -4.624 1.262 27 HA3 GLY 5 1HA GLY 5 -5.974 -5.382 2.674 28 H SER 6 H SER 6 -4.849 -2.535 0.905 29 HA SER 6 HA SER 6 -5.730 -0.773 3.031 30 HB2 SER 6 2HB SER 6 -2.789 -1.069 2.352 31 HB3 SER 6 1HB SER 6 -3.478 0.105 3.474 32 HG SER 6 HG SER 6 -4.342 -2.308 4.177 33 HA PRO 7 HA PRO 7 -6.297 1.687 -0.633 34 HB2 PRO 7 2HB PRO 7 -6.651 3.913 1.272 35 HB3 PRO 7 1HB PRO 7 -7.784 3.264 0.083 36 HG2 PRO 7 2HG PRO 7 -8.133 2.865 2.711 37 HG3 PRO 7 1HG PRO 7 -8.559 1.625 1.515 38 HD2 PRO 7 2HD PRO 7 -6.153 1.801 3.289 39 HD3 PRO 7 1HD PRO 7 -7.131 0.384 2.852 40 H VAL 8 H VAL 8 -4.406 2.945 2.085 41 HA VAL 8 HA VAL 8 -2.812 4.600 0.302 42 HB VAL 8 HB VAL 8 -2.538 4.225 3.293 43 HG11 VAL 8 1HG1 VAL 8 -0.833 5.671 3.259 44 HG12 VAL 8 2HG1 VAL 8 -1.644 6.735 2.109 45 HG13 VAL 8 3HG1 VAL 8 -0.748 5.330 1.531 46 HG21 VAL 8 3HG2 VAL 8 -3.606 6.770 2.382 47 HG22 VAL 8 1HG2 VAL 8 -4.183 5.690 3.651 48 HG23 VAL 8 2HG2 VAL 8 -4.653 5.411 1.975 49 H CYS 9 H CYS 9 -0.912 3.960 -0.512 50 HA CYS 9 HA CYS 9 0.080 1.348 0.060 51 HB2 CYS 9 2HB CYS 9 1.156 3.563 -1.665 52 HB3 CYS 9 1HB CYS 9 1.900 1.986 -1.532 53 H PHE 10 H PHE 10 2.056 0.802 0.868 54 HA PHE 10 HA PHE 10 3.191 2.710 2.774 55 HB2 PHE 10 2HB PHE 10 3.157 -0.305 2.639 56 HB3 PHE 10 1HB PHE 10 4.319 0.543 3.650 57 HD1 PHE 10 2HD PHE 10 0.695 1.167 2.985 58 HD2 PHE 10 1HD PHE 10 3.712 0.242 5.841 59 HE1 PHE 10 2HE PHE 10 -0.972 1.313 4.788 60 HE2 PHE 10 1HE PHE 10 2.049 0.384 7.647 61 HZ PHE 10 HZ PHE 10 -0.296 0.921 7.124 62 HA PRO 11 HA PRO 11 6.977 3.282 0.611 63 HB2 PRO 11 2HB PRO 11 8.843 2.304 2.471 64 HB3 PRO 11 1HB PRO 11 8.262 3.965 2.346 65 HG2 PRO 11 2HG PRO 11 7.406 1.791 4.186 66 HG3 PRO 11 1HG PRO 11 7.496 3.538 4.470 67 HD2 PRO 11 2HD PRO 11 5.150 2.296 4.078 68 HD3 PRO 11 1HD PRO 11 5.449 3.932 3.455 69 H ASP 12 H ASP 12 6.996 0.206 2.408 70 HA ASP 12 HA ASP 12 8.571 -1.086 0.350 71 HB2 ASP 12 2HB ASP 12 8.782 -1.523 2.862 72 HB3 ASP 12 1HB ASP 12 7.273 -2.420 2.729 Start of MODEL 9 1 H1 GLY 1 H GLY 1 6.152 -0.022 -0.503 2 HA2 GLY 1 2HA GLY 1 4.812 -0.757 -2.269 3 HA3 GLY 1 1HA GLY 1 5.095 -2.416 -1.765 4 H CYS 2 H CYS 2 2.578 -1.406 -2.554 5 HA CYS 2 HA CYS 2 1.002 -0.792 -0.244 6 HB2 CYS 2 2HB CYS 2 -0.291 -1.944 -2.650 7 HB3 CYS 2 1HB CYS 2 -0.771 -0.569 -1.671 8 H ILE 3 H ILE 3 -0.406 -2.135 0.857 9 HA ILE 3 HA ILE 3 0.268 -4.974 0.749 10 HB ILE 3 HB ILE 3 -1.538 -3.653 2.758 11 HG12 ILE 3 2HG1 ILE 3 1.470 -3.953 2.938 12 HG13 ILE 3 1HG1 ILE 3 0.614 -2.432 2.707 13 HG21 ILE 3 1HG2 ILE 3 -1.700 -5.721 3.554 14 HG22 ILE 3 2HG2 ILE 3 0.029 -5.692 3.895 15 HG23 ILE 3 3HG2 ILE 3 -0.553 -6.307 2.349 16 HD11 ILE 3 3HD1 ILE 3 -0.189 -2.411 4.877 17 HD12 ILE 3 1HD1 ILE 3 1.441 -3.060 5.057 18 HD13 ILE 3 2HD1 ILE 3 0.051 -4.145 5.088 19 H GLU 4 H GLU 4 -1.449 -6.560 0.783 20 HA GLU 4 HA GLU 4 -3.514 -5.981 -1.083 21 HB2 GLU 4 2HB GLU 4 -2.982 -8.489 0.514 22 HB3 GLU 4 1HB GLU 4 -4.100 -8.363 -0.838 23 HG2 GLU 4 2HG GLU 4 -2.280 -7.890 -2.351 24 HG3 GLU 4 1HG GLU 4 -1.134 -7.883 -1.013 25 H GLY 5 H GLY 5 -3.994 -4.313 0.879 26 HA2 GLY 5 2HA GLY 5 -6.633 -4.552 1.543 27 HA3 GLY 5 1HA GLY 5 -5.787 -5.321 2.881 28 H SER 6 H SER 6 -4.839 -2.519 0.939 29 HA SER 6 HA SER 6 -5.336 -0.729 3.169 30 HB2 SER 6 2HB SER 6 -2.975 0.118 3.097 31 HB3 SER 6 1HB SER 6 -3.108 -1.534 3.699 32 HG SER 6 HG SER 6 -2.691 -1.103 0.957 33 HA PRO 7 HA PRO 7 -6.405 1.702 -0.421 34 HB2 PRO 7 2HB PRO 7 -6.862 4.046 0.925 35 HB3 PRO 7 1HB PRO 7 -8.032 2.728 0.822 36 HG2 PRO 7 2HG PRO 7 -6.155 3.427 3.039 37 HG3 PRO 7 1HG PRO 7 -7.838 2.875 3.126 38 HD2 PRO 7 2HD PRO 7 -5.745 1.227 3.591 39 HD3 PRO 7 1HD PRO 7 -7.258 0.659 2.855 40 H VAL 8 H VAL 8 -4.255 3.019 2.072 41 HA VAL 8 HA VAL 8 -2.821 4.569 0.050 42 HB VAL 8 HB VAL 8 -2.434 4.544 3.053 43 HG11 VAL 8 1HG1 VAL 8 -1.341 6.793 2.512 44 HG12 VAL 8 2HG1 VAL 8 -1.279 6.219 0.846 45 HG13 VAL 8 3HG1 VAL 8 -0.438 5.329 2.116 46 HG21 VAL 8 3HG2 VAL 8 -4.161 5.923 3.270 47 HG22 VAL 8 1HG2 VAL 8 -4.556 5.634 1.576 48 HG23 VAL 8 2HG2 VAL 8 -3.520 6.991 2.021 49 H CYS 9 H CYS 9 -0.902 3.898 -0.727 50 HA CYS 9 HA CYS 9 0.087 1.334 -0.026 51 HB2 CYS 9 2HB CYS 9 1.264 3.485 -1.766 52 HB3 CYS 9 1HB CYS 9 1.920 1.872 -1.608 53 H PHE 10 H PHE 10 2.000 0.773 0.873 54 HA PHE 10 HA PHE 10 3.104 2.671 2.795 55 HB2 PHE 10 2HB PHE 10 3.245 -0.342 2.544 56 HB3 PHE 10 1HB PHE 10 4.239 0.555 3.683 57 HD1 PHE 10 1HD PHE 10 0.628 0.639 2.694 58 HD2 PHE 10 2HD PHE 10 3.494 0.377 5.828 59 HE1 PHE 10 1HE PHE 10 -1.192 0.574 4.347 60 HE2 PHE 10 2HE PHE 10 1.679 0.310 7.487 61 HZ PHE 10 HZ PHE 10 -0.668 0.408 6.748 62 HA PRO 11 HA PRO 11 6.941 3.273 0.685 63 HB2 PRO 11 2HB PRO 11 8.434 2.078 2.960 64 HB3 PRO 11 1HB PRO 11 8.605 3.674 2.220 65 HG2 PRO 11 2HG PRO 11 7.443 3.388 4.605 66 HG3 PRO 11 1HG PRO 11 6.839 4.568 3.426 67 HD2 PRO 11 2HD PRO 11 5.733 1.891 4.169 68 HD3 PRO 11 1HD PRO 11 4.878 3.397 3.777 69 H ASP 12 H ASP 12 6.838 0.242 2.506 70 HA ASP 12 HA ASP 12 8.516 -1.161 0.625 71 HB2 ASP 12 2HB ASP 12 7.882 -3.140 2.110 72 HB3 ASP 12 1HB ASP 12 8.770 -1.832 2.882 Start of MODEL 10 1 H1 GLY 1 H GLY 1 6.189 -0.015 -0.607 2 HA2 GLY 1 2HA GLY 1 4.755 -0.682 -2.323 3 HA3 GLY 1 1HA GLY 1 4.988 -2.352 -1.838 4 H CYS 2 H CYS 2 2.496 -1.426 -2.549 5 HA CYS 2 HA CYS 2 0.991 -0.687 -0.212 6 HB2 CYS 2 2HB CYS 2 -0.362 -1.849 -2.587 7 HB3 CYS 2 1HB CYS 2 -0.824 -0.475 -1.599 8 H ILE 3 H ILE 3 -0.428 -1.985 0.931 9 HA ILE 3 HA ILE 3 0.230 -4.818 0.935 10 HB ILE 3 HB ILE 3 -1.677 -3.453 2.809 11 HG12 ILE 3 2HG1 ILE 3 1.327 -3.666 3.115 12 HG13 ILE 3 1HG1 ILE 3 0.437 -2.178 2.813 13 HG21 ILE 3 1HG2 ILE 3 0.051 -5.908 3.048 14 HG22 ILE 3 2HG2 ILE 3 -1.708 -5.854 2.917 15 HG23 ILE 3 3HG2 ILE 3 -0.911 -5.231 4.362 16 HD11 ILE 3 3HD1 ILE 3 -0.755 -3.250 5.076 17 HD12 ILE 3 1HD1 ILE 3 0.379 -1.901 5.008 18 HD13 ILE 3 2HD1 ILE 3 0.972 -3.537 5.297 19 H GLU 4 H GLU 4 -1.399 -6.433 0.882 20 HA GLU 4 HA GLU 4 -3.426 -5.938 -1.044 21 HB2 GLU 4 2HB GLU 4 -3.899 -8.325 -0.898 22 HB3 GLU 4 1HB GLU 4 -2.169 -8.049 -1.006 23 HG2 GLU 4 2HG GLU 4 -3.576 -8.523 1.607 24 HG3 GLU 4 1HG GLU 4 -2.952 -9.831 0.608 25 H GLY 5 H GLY 5 -3.950 -4.328 1.027 26 HA2 GLY 5 2HA GLY 5 -6.656 -4.665 1.495 27 HA3 GLY 5 1HA GLY 5 -5.839 -5.357 2.891 28 H SER 6 H SER 6 -4.787 -2.587 0.983 29 HA SER 6 HA SER 6 -5.633 -0.731 3.042 30 HB2 SER 6 2HB SER 6 -3.464 -1.504 3.898 31 HB3 SER 6 1HB SER 6 -2.705 -1.118 2.355 32 HG SER 6 HG SER 6 -2.561 0.887 2.961 33 HA PRO 7 HA PRO 7 -6.194 1.555 -0.744 34 HB2 PRO 7 2HB PRO 7 -6.673 3.849 1.037 35 HB3 PRO 7 1HB PRO 7 -7.767 3.083 -0.119 36 HG2 PRO 7 2HG PRO 7 -8.111 2.836 2.536 37 HG3 PRO 7 1HG PRO 7 -8.507 1.523 1.412 38 HD2 PRO 7 2HD PRO 7 -6.104 1.855 3.168 39 HD3 PRO 7 1HD PRO 7 -7.048 0.393 2.816 40 H VAL 8 H VAL 8 -4.391 2.860 1.994 41 HA VAL 8 HA VAL 8 -2.790 4.552 0.252 42 HB VAL 8 HB VAL 8 -2.587 4.162 3.247 43 HG11 VAL 8 1HG1 VAL 8 -1.260 6.166 3.262 44 HG12 VAL 8 2HG1 VAL 8 -1.488 6.380 1.527 45 HG13 VAL 8 3HG1 VAL 8 -0.543 5.018 2.130 46 HG21 VAL 8 3HG2 VAL 8 -4.228 5.643 3.571 47 HG22 VAL 8 1HG2 VAL 8 -4.672 5.334 1.891 48 HG23 VAL 8 2HG2 VAL 8 -3.638 6.705 2.293 49 H CYS 9 H CYS 9 -0.861 3.946 -0.521 50 HA CYS 9 HA CYS 9 0.142 1.333 0.054 51 HB2 CYS 9 2HB CYS 9 1.265 3.551 -1.645 52 HB3 CYS 9 1HB CYS 9 1.925 1.931 -1.556 53 H PHE 10 H PHE 10 2.121 0.805 0.885 54 HA PHE 10 HA PHE 10 3.208 2.719 2.811 55 HB2 PHE 10 2HB PHE 10 3.277 -0.296 2.621 56 HB3 PHE 10 1HB PHE 10 4.346 0.586 3.704 57 HD1 PHE 10 2HD PHE 10 0.713 0.900 2.855 58 HD2 PHE 10 1HD PHE 10 3.667 0.361 5.871 59 HE1 PHE 10 2HE PHE 10 -1.044 0.927 4.575 60 HE2 PHE 10 1HE PHE 10 1.913 0.385 7.596 61 HZ PHE 10 HZ PHE 10 -0.445 0.670 6.949 62 HA PRO 11 HA PRO 11 7.062 3.248 0.723 63 HB2 PRO 11 2HB PRO 11 8.944 2.252 2.514 64 HB3 PRO 11 1HB PRO 11 8.284 3.890 2.534 65 HG2 PRO 11 2HG PRO 11 7.518 1.514 4.168 66 HG3 PRO 11 1HG PRO 11 7.609 3.221 4.639 67 HD2 PRO 11 2HD PRO 11 5.259 2.021 4.156 68 HD3 PRO 11 1HD PRO 11 5.543 3.716 3.709 69 H ASP 12 H ASP 12 6.905 0.145 2.432 70 HA ASP 12 HA ASP 12 8.499 -1.183 0.418 71 HB2 ASP 12 2HB ASP 12 7.942 -3.239 1.839 72 HB3 ASP 12 1HB ASP 12 8.933 -1.994 2.582 Start of MODEL 11 1 H1 GLY 1 H GLY 1 6.276 -0.058 -0.563 2 HA2 GLY 1 2HA GLY 1 4.975 -0.877 -2.317 3 HA3 GLY 1 1HA GLY 1 5.266 -2.509 -1.739 4 H CYS 2 H CYS 2 2.765 -1.509 -2.629 5 HA CYS 2 HA CYS 2 1.107 -0.839 -0.403 6 HB2 CYS 2 2HB CYS 2 0.010 -2.098 -2.881 7 HB3 CYS 2 1HB CYS 2 -0.672 -0.818 -1.894 8 H ILE 3 H ILE 3 -0.464 -2.168 0.590 9 HA ILE 3 HA ILE 3 0.235 -5.018 0.579 10 HB ILE 3 HB ILE 3 -1.435 -3.643 2.656 11 HG12 ILE 3 2HG1 ILE 3 1.575 -3.946 2.664 12 HG13 ILE 3 1HG1 ILE 3 0.700 -2.427 2.515 13 HG21 ILE 3 1HG2 ILE 3 -1.504 -5.643 3.619 14 HG22 ILE 3 2HG2 ILE 3 0.257 -5.746 3.613 15 HG23 ILE 3 3HG2 ILE 3 -0.664 -6.304 2.216 16 HD11 ILE 3 3HD1 ILE 3 0.470 -2.245 4.714 17 HD12 ILE 3 1HD1 ILE 3 1.645 -3.553 4.840 18 HD13 ILE 3 2HD1 ILE 3 -0.081 -3.913 4.876 19 H GLU 4 H GLU 4 -1.479 -6.544 0.613 20 HA GLU 4 HA GLU 4 -3.655 -5.892 -1.088 21 HB2 GLU 4 2HB GLU 4 -3.048 -8.446 0.403 22 HB3 GLU 4 1HB GLU 4 -4.268 -8.273 -0.849 23 HG2 GLU 4 2HG GLU 4 -1.313 -7.857 -1.244 24 HG3 GLU 4 1HG GLU 4 -2.200 -9.324 -1.658 25 H GLY 5 H GLY 5 -4.067 -4.250 0.866 26 HA2 GLY 5 2HA GLY 5 -6.641 -4.535 1.719 27 HA3 GLY 5 1HA GLY 5 -5.693 -5.291 2.996 28 H SER 6 H SER 6 -4.878 -2.487 1.003 29 HA SER 6 HA SER 6 -5.287 -0.692 3.248 30 HB2 SER 6 2HB SER 6 -2.930 0.172 3.051 31 HB3 SER 6 1HB SER 6 -3.041 -1.462 3.704 32 HG SER 6 HG SER 6 -2.767 -1.183 0.938 33 HA PRO 7 HA PRO 7 -6.534 1.749 -0.277 34 HB2 PRO 7 2HB PRO 7 -6.554 3.982 1.648 35 HB3 PRO 7 1HB PRO 7 -7.879 3.317 0.690 36 HG2 PRO 7 2HG PRO 7 -7.739 2.943 3.343 37 HG3 PRO 7 1HG PRO 7 -8.378 1.695 2.256 38 HD2 PRO 7 2HD PRO 7 -5.685 1.883 3.555 39 HD3 PRO 7 1HD PRO 7 -6.725 0.462 3.317 40 H VAL 8 H VAL 8 -4.244 3.069 2.084 41 HA VAL 8 HA VAL 8 -2.869 4.526 -0.053 42 HB VAL 8 HB VAL 8 -2.421 4.679 2.939 43 HG11 VAL 8 1HG1 VAL 8 -1.441 6.455 0.706 44 HG12 VAL 8 2HG1 VAL 8 -0.463 5.320 1.635 45 HG13 VAL 8 3HG1 VAL 8 -1.177 6.723 2.429 46 HG21 VAL 8 3HG2 VAL 8 -3.868 6.444 3.093 47 HG22 VAL 8 1HG2 VAL 8 -4.676 5.499 1.843 48 HG23 VAL 8 2HG2 VAL 8 -3.684 6.887 1.397 49 H CYS 9 H CYS 9 -0.947 3.824 -0.807 50 HA CYS 9 HA CYS 9 0.028 1.284 -0.038 51 HB2 CYS 9 2HB CYS 9 1.231 3.402 -1.799 52 HB3 CYS 9 1HB CYS 9 1.900 1.799 -1.594 53 H PHE 10 H PHE 10 1.933 0.721 0.878 54 HA PHE 10 HA PHE 10 3.019 2.623 2.804 55 HB2 PHE 10 2HB PHE 10 3.168 -0.388 2.556 56 HB3 PHE 10 1HB PHE 10 4.165 0.510 3.693 57 HD1 PHE 10 2HD PHE 10 0.553 0.625 2.710 58 HD2 PHE 10 1HD PHE 10 3.421 0.303 5.837 59 HE1 PHE 10 2HE PHE 10 -1.266 0.553 4.365 60 HE2 PHE 10 1HE PHE 10 1.607 0.226 7.497 61 HZ PHE 10 HZ PHE 10 -0.739 0.354 6.762 62 HA PRO 11 HA PRO 11 6.849 3.305 0.719 63 HB2 PRO 11 2HB PRO 11 8.314 2.157 3.042 64 HB3 PRO 11 1HB PRO 11 8.495 3.735 2.267 65 HG2 PRO 11 2HG PRO 11 7.282 3.508 4.629 66 HG3 PRO 11 1HG PRO 11 6.694 4.649 3.404 67 HD2 PRO 11 2HD PRO 11 5.590 1.992 4.211 68 HD3 PRO 11 1HD PRO 11 4.735 3.474 3.737 69 H ASP 12 H ASP 12 6.831 0.277 2.558 70 HA ASP 12 HA ASP 12 8.577 -1.070 0.706 71 HB2 ASP 12 2HB ASP 12 6.947 -2.207 2.990 72 HB3 ASP 12 1HB ASP 12 8.288 -2.998 2.167 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.223 -0.080 -0.598 2 HA2 GLY 1 2HA GLY 1 4.842 -0.849 -2.310 3 HA3 GLY 1 1HA GLY 1 5.138 -2.495 -1.775 4 H CYS 2 H CYS 2 2.610 -1.383 -2.543 5 HA CYS 2 HA CYS 2 1.066 -0.785 -0.216 6 HB2 CYS 2 2HB CYS 2 -0.259 -1.916 -2.618 7 HB3 CYS 2 1HB CYS 2 -0.719 -0.541 -1.630 8 H ILE 3 H ILE 3 -0.379 -2.118 0.877 9 HA ILE 3 HA ILE 3 0.283 -4.959 0.775 10 HB ILE 3 HB ILE 3 -1.534 -3.634 2.769 11 HG12 ILE 3 2HG1 ILE 3 1.472 -3.935 2.969 12 HG13 ILE 3 1HG1 ILE 3 0.618 -2.414 2.736 13 HG21 ILE 3 1HG2 ILE 3 0.253 -6.027 3.125 14 HG22 ILE 3 2HG2 ILE 3 -1.415 -6.145 2.563 15 HG23 ILE 3 3HG2 ILE 3 -1.068 -5.493 4.165 16 HD11 ILE 3 3HD1 ILE 3 0.266 -2.195 4.912 17 HD12 ILE 3 1HD1 ILE 3 1.374 -3.546 5.141 18 HD13 ILE 3 2HD1 ILE 3 -0.363 -3.837 5.049 19 H GLU 4 H GLU 4 -1.430 -6.540 0.783 20 HA GLU 4 HA GLU 4 -3.485 -5.950 -1.090 21 HB2 GLU 4 2HB GLU 4 -2.954 -8.467 0.491 22 HB3 GLU 4 1HB GLU 4 -4.069 -8.334 -0.862 23 HG2 GLU 4 2HG GLU 4 -2.260 -7.871 -2.374 24 HG3 GLU 4 1HG GLU 4 -1.109 -7.825 -1.039 25 H GLY 5 H GLY 5 -3.978 -4.299 0.882 26 HA2 GLY 5 2HA GLY 5 -6.623 -4.556 1.528 27 HA3 GLY 5 1HA GLY 5 -5.779 -5.321 2.869 28 H SER 6 H SER 6 -4.837 -2.510 0.939 29 HA SER 6 HA SER 6 -5.363 -0.727 3.168 30 HB2 SER 6 2HB SER 6 -3.006 0.136 3.114 31 HB3 SER 6 1HB SER 6 -3.137 -1.515 3.720 32 HG SER 6 HG SER 6 -2.695 -1.084 0.980 33 HA PRO 7 HA PRO 7 -6.422 1.707 -0.422 34 HB2 PRO 7 2HB PRO 7 -6.887 4.049 0.927 35 HB3 PRO 7 1HB PRO 7 -8.056 2.729 0.814 36 HG2 PRO 7 2HG PRO 7 -6.190 3.426 3.042 37 HG3 PRO 7 1HG PRO 7 -7.872 2.872 3.119 38 HD2 PRO 7 2HD PRO 7 -5.781 1.225 3.592 39 HD3 PRO 7 1HD PRO 7 -7.288 0.658 2.844 40 H VAL 8 H VAL 8 -4.292 3.040 2.080 41 HA VAL 8 HA VAL 8 -2.855 4.596 0.068 42 HB VAL 8 HB VAL 8 -2.465 4.549 3.071 43 HG11 VAL 8 1HG1 VAL 8 -1.430 6.438 0.958 44 HG12 VAL 8 2HG1 VAL 8 -0.479 5.288 1.900 45 HG13 VAL 8 3HG1 VAL 8 -1.249 6.659 2.698 46 HG21 VAL 8 3HG2 VAL 8 -4.679 5.378 2.544 47 HG22 VAL 8 1HG2 VAL 8 -4.008 6.489 1.350 48 HG23 VAL 8 2HG2 VAL 8 -3.649 6.712 3.062 49 H CYS 9 H CYS 9 -0.929 3.937 -0.710 50 HA CYS 9 HA CYS 9 0.053 1.364 -0.039 51 HB2 CYS 9 2HB CYS 9 1.211 3.539 -1.759 52 HB3 CYS 9 1HB CYS 9 1.915 1.948 -1.593 53 H PHE 10 H PHE 10 1.967 0.787 0.841 54 HA PHE 10 HA PHE 10 3.080 2.652 2.791 55 HB2 PHE 10 2HB PHE 10 3.174 -0.361 2.530 56 HB3 PHE 10 1HB PHE 10 4.182 0.516 3.673 57 HD1 PHE 10 2HD PHE 10 0.573 0.638 2.677 58 HD2 PHE 10 1HD PHE 10 3.430 0.365 5.819 59 HE1 PHE 10 2HE PHE 10 -1.251 0.588 4.326 60 HE2 PHE 10 1HE PHE 10 1.611 0.310 7.474 61 HZ PHE 10 HZ PHE 10 -0.734 0.423 6.728 62 HA PRO 11 HA PRO 11 6.917 3.265 0.696 63 HB2 PRO 11 2HB PRO 11 8.364 2.042 2.993 64 HB3 PRO 11 1HB PRO 11 8.589 3.624 2.237 65 HG2 PRO 11 2HG PRO 11 7.382 3.406 4.603 66 HG3 PRO 11 1HG PRO 11 6.820 4.576 3.395 67 HD2 PRO 11 2HD PRO 11 5.643 1.946 4.180 68 HD3 PRO 11 1HD PRO 11 4.829 3.456 3.724 69 H ASP 12 H ASP 12 6.874 0.214 2.505 70 HA ASP 12 HA ASP 12 8.544 -1.144 0.588 71 HB2 ASP 12 2HB ASP 12 6.966 -2.272 2.913 72 HB3 ASP 12 1HB ASP 12 8.265 -3.080 2.040 Start of MODEL 13 1 H1 GLY 1 H GLY 1 6.222 -0.089 -0.614 2 HA2 GLY 1 2HA GLY 1 4.824 -0.863 -2.311 3 HA3 GLY 1 1HA GLY 1 5.121 -2.508 -1.770 4 H CYS 2 H CYS 2 2.590 -1.374 -2.521 5 HA CYS 2 HA CYS 2 1.068 -0.776 -0.181 6 HB2 CYS 2 2HB CYS 2 -0.287 -1.897 -2.571 7 HB3 CYS 2 1HB CYS 2 -0.725 -0.515 -1.582 8 H ILE 3 H ILE 3 -0.375 -2.105 0.921 9 HA ILE 3 HA ILE 3 0.286 -4.943 0.830 10 HB ILE 3 HB ILE 3 -1.567 -3.617 2.792 11 HG12 ILE 3 2HG1 ILE 3 1.437 -3.907 3.036 12 HG13 ILE 3 1HG1 ILE 3 0.581 -2.390 2.788 13 HG21 ILE 3 1HG2 ILE 3 -0.346 -5.533 4.187 14 HG22 ILE 3 2HG2 ILE 3 -0.199 -6.231 2.574 15 HG23 ILE 3 3HG2 ILE 3 -1.790 -5.835 3.221 16 HD11 ILE 3 3HD1 ILE 3 -0.486 -2.611 4.949 17 HD12 ILE 3 1HD1 ILE 3 1.267 -2.707 5.113 18 HD13 ILE 3 2HD1 ILE 3 0.292 -4.175 5.193 19 H GLU 4 H GLU 4 -1.419 -6.533 0.820 20 HA GLU 4 HA GLU 4 -3.448 -5.963 -1.087 21 HB2 GLU 4 2HB GLU 4 -2.927 -8.467 0.516 22 HB3 GLU 4 1HB GLU 4 -4.025 -8.349 -0.853 23 HG2 GLU 4 2HG GLU 4 -2.199 -7.886 -2.344 24 HG3 GLU 4 1HG GLU 4 -1.066 -7.823 -0.994 25 H GLY 5 H GLY 5 -3.982 -4.302 0.868 26 HA2 GLY 5 2HA GLY 5 -6.633 -4.561 1.472 27 HA3 GLY 5 1HA GLY 5 -5.813 -5.329 2.826 28 H SER 6 H SER 6 -4.835 -2.514 0.919 29 HA SER 6 HA SER 6 -5.402 -0.735 3.141 30 HB2 SER 6 2HB SER 6 -3.045 0.127 3.135 31 HB3 SER 6 1HB SER 6 -3.186 -1.528 3.730 32 HG SER 6 HG SER 6 -2.691 -1.077 1.002 33 HA PRO 7 HA PRO 7 -6.392 1.704 -0.466 34 HB2 PRO 7 2HB PRO 7 -6.890 4.041 0.879 35 HB3 PRO 7 1HB PRO 7 -8.053 2.720 0.739 36 HG2 PRO 7 2HG PRO 7 -6.237 3.415 3.007 37 HG3 PRO 7 1HG PRO 7 -7.920 2.857 3.048 38 HD2 PRO 7 2HD PRO 7 -5.834 1.215 3.560 39 HD3 PRO 7 1HD PRO 7 -7.324 0.644 2.781 40 H VAL 8 H VAL 8 -4.314 3.029 2.086 41 HA VAL 8 HA VAL 8 -2.849 4.615 0.121 42 HB VAL 8 HB VAL 8 -2.485 4.495 3.124 43 HG11 VAL 8 1HG1 VAL 8 -1.080 6.369 2.939 44 HG12 VAL 8 2HG1 VAL 8 -1.554 6.665 1.267 45 HG13 VAL 8 3HG1 VAL 8 -0.549 5.270 1.665 46 HG21 VAL 8 3HG2 VAL 8 -4.727 5.350 2.254 47 HG22 VAL 8 1HG2 VAL 8 -3.818 6.716 1.606 48 HG23 VAL 8 2HG2 VAL 8 -3.827 6.407 3.342 49 H CYS 9 H CYS 9 -0.931 3.959 -0.669 50 HA CYS 9 HA CYS 9 0.053 1.378 -0.022 51 HB2 CYS 9 2HB CYS 9 1.189 3.562 -1.744 52 HB3 CYS 9 1HB CYS 9 1.908 1.976 -1.582 53 H PHE 10 H PHE 10 1.979 0.801 0.837 54 HA PHE 10 HA PHE 10 3.104 2.664 2.785 55 HB2 PHE 10 2HB PHE 10 3.184 -0.350 2.530 56 HB3 PHE 10 1HB PHE 10 4.201 0.526 3.665 57 HD1 PHE 10 1HD PHE 10 0.588 0.660 2.689 58 HD2 PHE 10 2HD PHE 10 3.462 0.386 5.816 59 HE1 PHE 10 1HE PHE 10 -1.227 0.630 4.348 60 HE2 PHE 10 2HE PHE 10 1.651 0.354 7.480 61 HZ PHE 10 HZ PHE 10 -0.697 0.476 6.748 62 HA PRO 11 HA PRO 11 6.929 3.261 0.664 63 HB2 PRO 11 2HB PRO 11 8.385 2.042 2.959 64 HB3 PRO 11 1HB PRO 11 8.610 3.619 2.194 65 HG2 PRO 11 2HG PRO 11 7.416 3.416 4.567 66 HG3 PRO 11 1HG PRO 11 6.851 4.583 3.356 67 HD2 PRO 11 2HD PRO 11 5.670 1.961 4.161 68 HD3 PRO 11 1HD PRO 11 4.859 3.471 3.701 69 H ASP 12 H ASP 12 6.894 0.216 2.485 70 HA ASP 12 HA ASP 12 8.546 -1.150 0.560 71 HB2 ASP 12 2HB ASP 12 6.989 -2.268 2.903 72 HB3 ASP 12 1HB ASP 12 8.278 -3.082 2.022 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.270 -0.117 -0.660 2 HA2 GLY 1 2HA GLY 1 4.854 -0.899 -2.339 3 HA3 GLY 1 1HA GLY 1 5.100 -2.535 -1.750 4 H CYS 2 H CYS 2 2.601 -1.472 -2.536 5 HA CYS 2 HA CYS 2 1.098 -0.703 -0.221 6 HB2 CYS 2 2HB CYS 2 -0.214 -1.881 -2.627 7 HB3 CYS 2 1HB CYS 2 -0.739 -0.545 -1.617 8 H ILE 3 H ILE 3 -0.417 -1.950 0.890 9 HA ILE 3 HA ILE 3 0.219 -4.787 1.017 10 HB ILE 3 HB ILE 3 -1.771 -3.354 2.746 11 HG12 ILE 3 2HG1 ILE 3 1.214 -3.536 3.208 12 HG13 ILE 3 1HG1 ILE 3 0.334 -2.066 2.802 13 HG21 ILE 3 1HG2 ILE 3 -1.492 -5.896 2.708 14 HG22 ILE 3 2HG2 ILE 3 -1.473 -5.092 4.278 15 HG23 ILE 3 3HG2 ILE 3 0.040 -5.606 3.532 16 HD11 ILE 3 3HD1 ILE 3 0.599 -3.467 5.365 17 HD12 ILE 3 1HD1 ILE 3 -1.014 -2.854 5.000 18 HD13 ILE 3 2HD1 ILE 3 0.364 -1.753 5.019 19 H GLU 4 H GLU 4 -1.417 -6.398 0.907 20 HA GLU 4 HA GLU 4 -3.399 -5.863 -1.075 21 HB2 GLU 4 2HB GLU 4 -3.926 -8.277 -0.903 22 HB3 GLU 4 1HB GLU 4 -2.223 -7.965 -1.191 23 HG2 GLU 4 2HG GLU 4 -3.183 -8.367 1.604 24 HG3 GLU 4 1HG GLU 4 -2.986 -9.759 0.545 25 H GLY 5 H GLY 5 -3.970 -4.298 0.983 26 HA2 GLY 5 2HA GLY 5 -6.668 -4.665 1.447 27 HA3 GLY 5 1HA GLY 5 -5.851 -5.374 2.834 28 H SER 6 H SER 6 -4.820 -2.568 0.968 29 HA SER 6 HA SER 6 -5.668 -0.749 3.058 30 HB2 SER 6 2HB SER 6 -3.493 -1.521 3.895 31 HB3 SER 6 1HB SER 6 -2.741 -1.119 2.353 32 HG SER 6 HG SER 6 -2.598 0.882 2.977 33 HA PRO 7 HA PRO 7 -6.260 1.595 -0.686 34 HB2 PRO 7 2HB PRO 7 -6.720 3.865 1.129 35 HB3 PRO 7 1HB PRO 7 -7.826 3.114 -0.024 36 HG2 PRO 7 2HG PRO 7 -8.141 2.834 2.631 37 HG3 PRO 7 1HG PRO 7 -8.553 1.537 1.493 38 HD2 PRO 7 2HD PRO 7 -6.130 1.840 3.230 39 HD3 PRO 7 1HD PRO 7 -7.081 0.384 2.864 40 H VAL 8 H VAL 8 -4.429 2.868 2.051 41 HA VAL 8 HA VAL 8 -2.844 4.577 0.309 42 HB VAL 8 HB VAL 8 -2.616 4.163 3.299 43 HG11 VAL 8 1HG1 VAL 8 -1.593 6.492 1.700 44 HG12 VAL 8 2HG1 VAL 8 -0.611 5.062 2.016 45 HG13 VAL 8 3HG1 VAL 8 -1.201 6.041 3.359 46 HG21 VAL 8 3HG2 VAL 8 -4.102 5.849 3.674 47 HG22 VAL 8 1HG2 VAL 8 -4.781 5.205 2.179 48 HG23 VAL 8 2HG2 VAL 8 -3.761 6.643 2.137 49 H CYS 9 H CYS 9 -0.918 3.988 -0.480 50 HA CYS 9 HA CYS 9 0.092 1.369 0.056 51 HB2 CYS 9 2HB CYS 9 1.140 3.612 -1.652 52 HB3 CYS 9 1HB CYS 9 1.899 2.040 -1.536 53 H PHE 10 H PHE 10 2.100 0.844 0.829 54 HA PHE 10 HA PHE 10 3.220 2.747 2.753 55 HB2 PHE 10 2HB PHE 10 3.212 -0.270 2.613 56 HB3 PHE 10 1HB PHE 10 4.327 0.600 3.657 57 HD1 PHE 10 1HD PHE 10 0.691 1.019 2.878 58 HD2 PHE 10 2HD PHE 10 3.683 0.411 5.842 59 HE1 PHE 10 1HE PHE 10 -1.030 1.131 4.631 60 HE2 PHE 10 2HE PHE 10 1.967 0.522 7.602 61 HZ PHE 10 HZ PHE 10 -0.393 0.882 6.997 62 HA PRO 11 HA PRO 11 7.028 3.237 0.576 63 HB2 PRO 11 2HB PRO 11 8.494 2.035 2.874 64 HB3 PRO 11 1HB PRO 11 8.742 3.591 2.071 65 HG2 PRO 11 2HG PRO 11 7.578 3.466 4.464 66 HG3 PRO 11 1HG PRO 11 7.020 4.617 3.235 67 HD2 PRO 11 2HD PRO 11 5.793 2.043 4.119 68 HD3 PRO 11 1HD PRO 11 5.009 3.557 3.626 69 H ASP 12 H ASP 12 6.961 0.222 2.443 70 HA ASP 12 HA ASP 12 8.570 -1.196 0.518 71 HB2 ASP 12 2HB ASP 12 7.056 -2.188 2.947 72 HB3 ASP 12 1HB ASP 12 8.170 -3.153 1.989 Start of MODEL 15 1 H1 GLY 1 H GLY 1 6.218 -0.042 -0.591 2 HA2 GLY 1 2HA GLY 1 4.815 -0.696 -2.333 3 HA3 GLY 1 1HA GLY 1 5.026 -2.369 -1.841 4 H CYS 2 H CYS 2 2.551 -1.337 -2.605 5 HA CYS 2 HA CYS 2 1.000 -0.587 -0.321 6 HB2 CYS 2 2HB CYS 2 -0.278 -1.824 -2.707 7 HB3 CYS 2 1HB CYS 2 -0.802 -0.451 -1.749 8 H ILE 3 H ILE 3 -0.476 -1.848 0.814 9 HA ILE 3 HA ILE 3 0.194 -4.682 0.910 10 HB ILE 3 HB ILE 3 -1.708 -3.261 2.747 11 HG12 ILE 3 2HG1 ILE 3 1.294 -3.497 3.060 12 HG13 ILE 3 1HG1 ILE 3 0.416 -2.007 2.730 13 HG21 ILE 3 1HG2 ILE 3 -0.109 -5.242 4.012 14 HG22 ILE 3 2HG2 ILE 3 -0.775 -5.922 2.528 15 HG23 ILE 3 3HG2 ILE 3 -1.851 -5.237 3.746 16 HD11 ILE 3 3HD1 ILE 3 0.772 -1.857 4.989 17 HD12 ILE 3 1HD1 ILE 3 0.585 -3.592 5.245 18 HD13 ILE 3 2HD1 ILE 3 -0.833 -2.587 4.939 19 H GLU 4 H GLU 4 -1.428 -6.282 0.870 20 HA GLU 4 HA GLU 4 -3.477 -5.829 -1.044 21 HB2 GLU 4 2HB GLU 4 -3.979 -8.268 -0.643 22 HB3 GLU 4 1HB GLU 4 -2.345 -7.909 -1.179 23 HG2 GLU 4 2HG GLU 4 -1.637 -8.015 1.225 24 HG3 GLU 4 1HG GLU 4 -3.251 -8.617 1.598 25 H GLY 5 H GLY 5 -4.221 -4.131 0.722 26 HA2 GLY 5 2HA GLY 5 -6.824 -4.776 1.442 27 HA3 GLY 5 1HA GLY 5 -5.834 -5.081 2.863 28 H SER 6 H SER 6 -3.951 -2.947 2.236 29 HA SER 6 HA SER 6 -5.501 -0.763 3.348 30 HB2 SER 6 2HB SER 6 -2.529 -0.878 2.792 31 HB3 SER 6 1HB SER 6 -3.371 0.237 3.869 32 HG SER 6 HG SER 6 -4.083 -1.977 4.829 33 HA PRO 7 HA PRO 7 -6.047 1.115 -0.667 34 HB2 PRO 7 2HB PRO 7 -6.708 3.512 0.930 35 HB3 PRO 7 1HB PRO 7 -7.689 2.648 -0.257 36 HG2 PRO 7 2HG PRO 7 -8.227 2.502 2.360 37 HG3 PRO 7 1HG PRO 7 -8.440 1.103 1.291 38 HD2 PRO 7 2HD PRO 7 -6.221 1.703 3.211 39 HD3 PRO 7 1HD PRO 7 -7.031 0.158 2.871 40 H VAL 8 H VAL 8 -4.351 2.740 1.969 41 HA VAL 8 HA VAL 8 -2.861 4.402 0.105 42 HB VAL 8 HB VAL 8 -2.599 4.204 3.116 43 HG11 VAL 8 1HG1 VAL 8 -1.815 6.660 1.695 44 HG12 VAL 8 2HG1 VAL 8 -0.790 5.254 1.410 45 HG13 VAL 8 3HG1 VAL 8 -1.049 5.837 3.054 46 HG21 VAL 8 3HG2 VAL 8 -4.844 4.946 2.372 47 HG22 VAL 8 1HG2 VAL 8 -4.081 6.275 1.499 48 HG23 VAL 8 2HG2 VAL 8 -3.957 6.188 3.257 49 H CYS 9 H CYS 9 -0.935 3.831 -0.684 50 HA CYS 9 HA CYS 9 0.203 1.314 -0.048 51 HB2 CYS 9 2HB CYS 9 1.305 3.572 -1.704 52 HB3 CYS 9 1HB CYS 9 1.968 1.954 -1.634 53 H PHE 10 H PHE 10 2.121 0.836 0.867 54 HA PHE 10 HA PHE 10 3.180 2.807 2.755 55 HB2 PHE 10 2HB PHE 10 3.211 -0.214 2.683 56 HB3 PHE 10 1HB PHE 10 4.284 0.692 3.741 57 HD1 PHE 10 1HD PHE 10 0.665 1.033 2.848 58 HD2 PHE 10 2HD PHE 10 3.582 0.556 5.909 59 HE1 PHE 10 1HE PHE 10 -1.106 1.158 4.550 60 HE2 PHE 10 2HE PHE 10 1.816 0.679 7.616 61 HZ PHE 10 HZ PHE 10 -0.531 0.980 6.938 62 HA PRO 11 HA PRO 11 7.081 3.221 0.721 63 HB2 PRO 11 2HB PRO 11 8.904 2.190 2.569 64 HB3 PRO 11 1HB PRO 11 8.325 3.856 2.516 65 HG2 PRO 11 2HG PRO 11 7.434 1.591 4.236 66 HG3 PRO 11 1HG PRO 11 7.573 3.315 4.627 67 HD2 PRO 11 2HD PRO 11 5.194 2.168 4.158 68 HD3 PRO 11 1HD PRO 11 5.542 3.831 3.636 69 H ASP 12 H ASP 12 6.876 0.162 2.504 70 HA ASP 12 HA ASP 12 8.480 -1.270 0.589 71 HB2 ASP 12 2HB ASP 12 6.779 -2.416 2.812 72 HB3 ASP 12 1HB ASP 12 8.142 -3.186 2.009 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.148 -0.037 -0.544 2 HA2 GLY 1 2HA GLY 1 4.794 -0.781 -2.301 3 HA3 GLY 1 1HA GLY 1 5.079 -2.438 -1.789 4 H CYS 2 H CYS 2 2.552 -1.351 -2.548 5 HA CYS 2 HA CYS 2 1.018 -0.742 -0.217 6 HB2 CYS 2 2HB CYS 2 -0.332 -1.899 -2.586 7 HB3 CYS 2 1HB CYS 2 -0.775 -0.510 -1.611 8 H ILE 3 H ILE 3 -0.352 -2.058 0.935 9 HA ILE 3 HA ILE 3 0.303 -4.890 0.890 10 HB ILE 3 HB ILE 3 -1.599 -3.558 2.786 11 HG12 ILE 3 2HG1 ILE 3 0.508 -2.230 2.690 12 HG13 ILE 3 1HG1 ILE 3 0.231 -2.975 4.255 13 HG21 ILE 3 1HG2 ILE 3 -0.714 -6.170 2.505 14 HG22 ILE 3 2HG2 ILE 3 -1.559 -5.487 3.895 15 HG23 ILE 3 3HG2 ILE 3 0.204 -5.540 3.873 16 HD11 ILE 3 3HD1 ILE 3 2.583 -3.067 3.447 17 HD12 ILE 3 1HD1 ILE 3 2.039 -4.132 2.151 18 HD13 ILE 3 2HD1 ILE 3 1.884 -4.639 3.833 19 H GLU 4 H GLU 4 -1.362 -6.492 0.844 20 HA GLU 4 HA GLU 4 -3.423 -5.952 -1.040 21 HB2 GLU 4 2HB GLU 4 -2.080 -8.100 -0.870 22 HB3 GLU 4 1HB GLU 4 -3.045 -8.491 0.544 23 HG2 GLU 4 2HG GLU 4 -3.926 -9.623 -1.385 24 HG3 GLU 4 1HG GLU 4 -5.075 -8.406 -0.835 25 H GLY 5 H GLY 5 -4.085 -4.276 0.751 26 HA2 GLY 5 2HA GLY 5 -6.662 -4.586 1.477 27 HA3 GLY 5 1HA GLY 5 -5.806 -5.343 2.816 28 H SER 6 H SER 6 -4.842 -2.530 0.906 29 HA SER 6 HA SER 6 -5.437 -0.743 3.117 30 HB2 SER 6 2HB SER 6 -3.082 0.121 3.143 31 HB3 SER 6 1HB SER 6 -3.229 -1.531 3.741 32 HG SER 6 HG SER 6 -2.746 -1.203 1.017 33 HA PRO 7 HA PRO 7 -6.375 1.718 -0.485 34 HB2 PRO 7 2HB PRO 7 -6.575 3.945 1.435 35 HB3 PRO 7 1HB PRO 7 -7.812 3.269 0.373 36 HG2 PRO 7 2HG PRO 7 -7.880 2.896 3.031 37 HG3 PRO 7 1HG PRO 7 -8.427 1.647 1.896 38 HD2 PRO 7 2HD PRO 7 -5.845 1.843 3.402 39 HD3 PRO 7 1HD PRO 7 -6.859 0.419 3.085 40 H VAL 8 H VAL 8 -4.310 3.048 2.074 41 HA VAL 8 HA VAL 8 -2.809 4.601 0.115 42 HB VAL 8 HB VAL 8 -2.463 4.479 3.120 43 HG11 VAL 8 1HG1 VAL 8 -1.544 6.748 1.420 44 HG12 VAL 8 2HG1 VAL 8 -0.570 5.280 1.490 45 HG13 VAL 8 3HG1 VAL 8 -0.923 6.176 2.968 46 HG21 VAL 8 3HG2 VAL 8 -4.000 6.104 3.397 47 HG22 VAL 8 1HG2 VAL 8 -4.641 5.482 1.876 48 HG23 VAL 8 2HG2 VAL 8 -3.589 6.898 1.877 49 H CYS 9 H CYS 9 -0.903 3.922 -0.673 50 HA CYS 9 HA CYS 9 0.063 1.334 -0.023 51 HB2 CYS 9 2HB CYS 9 1.245 3.510 -1.728 52 HB3 CYS 9 1HB CYS 9 1.908 1.897 -1.591 53 H PHE 10 H PHE 10 1.978 0.740 0.852 54 HA PHE 10 HA PHE 10 3.094 2.576 2.825 55 HB2 PHE 10 2HB PHE 10 3.248 -0.426 2.469 56 HB3 PHE 10 1HB PHE 10 4.239 0.437 3.636 57 HD1 PHE 10 2HD PHE 10 0.626 0.616 2.672 58 HD2 PHE 10 1HD PHE 10 3.501 0.086 5.764 59 HE1 PHE 10 2HE PHE 10 -1.188 0.463 4.327 60 HE2 PHE 10 1HE PHE 10 1.692 -0.072 7.424 61 HZ PHE 10 HZ PHE 10 -0.656 0.118 6.706 62 HA PRO 11 HA PRO 11 6.910 3.260 0.701 63 HB2 PRO 11 2HB PRO 11 8.426 2.038 2.946 64 HB3 PRO 11 1HB PRO 11 8.572 3.651 2.239 65 HG2 PRO 11 2HG PRO 11 7.425 3.297 4.622 66 HG3 PRO 11 1HG PRO 11 6.803 4.497 3.473 67 HD2 PRO 11 2HD PRO 11 5.730 1.792 4.160 68 HD3 PRO 11 1HD PRO 11 4.856 3.297 3.806 69 H ASP 12 H ASP 12 6.861 0.197 2.472 70 HA ASP 12 HA ASP 12 8.530 -1.152 0.544 71 HB2 ASP 12 2HB ASP 12 7.957 -3.161 2.010 72 HB3 ASP 12 1HB ASP 12 8.833 -1.849 2.788 Start of MODEL 17 1 H1 GLY 1 H GLY 1 6.250 0.008 -0.609 2 HA2 GLY 1 2HA GLY 1 4.884 -0.756 -2.350 3 HA3 GLY 1 1HA GLY 1 5.069 -2.394 -1.747 4 H CYS 2 H CYS 2 2.637 -1.787 -2.535 5 HA CYS 2 HA CYS 2 1.041 -0.711 -0.380 6 HB2 CYS 2 2HB CYS 2 0.003 -2.150 -2.812 7 HB3 CYS 2 1HB CYS 2 -0.829 -0.966 -1.818 8 H ILE 3 H ILE 3 -0.699 -1.946 0.600 9 HA ILE 3 HA ILE 3 0.098 -4.730 1.060 10 HB ILE 3 HB ILE 3 -1.897 -3.212 2.693 11 HG12 ILE 3 2HG1 ILE 3 1.092 -3.294 3.154 12 HG13 ILE 3 1HG1 ILE 3 0.183 -1.879 2.635 13 HG21 ILE 3 1HG2 ILE 3 -0.061 -5.486 3.413 14 HG22 ILE 3 2HG2 ILE 3 -1.755 -5.656 2.951 15 HG23 ILE 3 3HG2 ILE 3 -1.326 -4.794 4.429 16 HD11 ILE 3 3HD1 ILE 3 -0.580 -1.448 4.706 17 HD12 ILE 3 1HD1 ILE 3 0.848 -2.368 5.180 18 HD13 ILE 3 2HD1 ILE 3 -0.729 -3.155 5.127 19 H GLU 4 H GLU 4 -1.457 -6.352 0.964 20 HA GLU 4 HA GLU 4 -3.492 -5.993 -0.983 21 HB2 GLU 4 2HB GLU 4 -2.884 -8.413 0.717 22 HB3 GLU 4 1HB GLU 4 -3.901 -8.390 -0.718 23 HG2 GLU 4 2HG GLU 4 -0.936 -7.908 -0.580 24 HG3 GLU 4 1HG GLU 4 -1.768 -9.281 -1.309 25 H GLY 5 H GLY 5 -4.256 -4.288 0.782 26 HA2 GLY 5 2HA GLY 5 -6.858 -4.686 1.371 27 HA3 GLY 5 1HA GLY 5 -6.048 -5.390 2.765 28 H SER 6 H SER 6 -4.896 -2.615 0.946 29 HA SER 6 HA SER 6 -5.841 -0.760 2.962 30 HB2 SER 6 2HB SER 6 -3.752 -1.551 3.963 31 HB3 SER 6 1HB SER 6 -2.884 -1.216 2.466 32 HG SER 6 HG SER 6 -2.693 0.779 3.075 33 HA PRO 7 HA PRO 7 -6.113 1.562 -0.831 34 HB2 PRO 7 2HB PRO 7 -6.683 3.854 0.922 35 HB3 PRO 7 1HB PRO 7 -7.711 3.098 -0.298 36 HG2 PRO 7 2HG PRO 7 -8.213 2.858 2.335 37 HG3 PRO 7 1HG PRO 7 -8.565 1.553 1.186 38 HD2 PRO 7 2HD PRO 7 -6.263 1.843 3.080 39 HD3 PRO 7 1HD PRO 7 -7.209 0.396 2.668 40 H VAL 8 H VAL 8 -4.426 2.739 2.028 41 HA VAL 8 HA VAL 8 -2.735 4.495 0.440 42 HB VAL 8 HB VAL 8 -2.658 3.941 3.415 43 HG11 VAL 8 1HG1 VAL 8 -0.888 5.282 3.549 44 HG12 VAL 8 2HG1 VAL 8 -1.656 6.507 2.540 45 HG13 VAL 8 3HG1 VAL 8 -0.772 5.177 1.793 46 HG21 VAL 8 3HG2 VAL 8 -4.613 5.311 1.956 47 HG22 VAL 8 1HG2 VAL 8 -3.605 6.559 2.691 48 HG23 VAL 8 2HG2 VAL 8 -4.368 5.331 3.703 49 H CYS 9 H CYS 9 -0.842 3.850 -0.359 50 HA CYS 9 HA CYS 9 0.180 1.240 0.287 51 HB2 CYS 9 2HB CYS 9 1.208 3.350 -1.606 52 HB3 CYS 9 1HB CYS 9 1.844 1.724 -1.464 53 H PHE 10 H PHE 10 2.239 0.810 1.031 54 HA PHE 10 HA PHE 10 3.364 2.882 2.769 55 HB2 PHE 10 2HB PHE 10 3.464 -0.135 2.792 56 HB3 PHE 10 1HB PHE 10 4.608 0.819 3.726 57 HD1 PHE 10 1HD PHE 10 0.943 1.253 3.137 58 HD2 PHE 10 2HD PHE 10 4.071 0.577 5.943 59 HE1 PHE 10 1HE PHE 10 -0.680 1.412 4.978 60 HE2 PHE 10 2HE PHE 10 2.451 0.732 7.789 61 HZ PHE 10 HZ PHE 10 0.073 1.150 7.307 62 HA PRO 11 HA PRO 11 7.121 3.303 0.465 63 HB2 PRO 11 2HB PRO 11 8.740 2.172 2.684 64 HB3 PRO 11 1HB PRO 11 8.876 3.741 1.881 65 HG2 PRO 11 2HG PRO 11 7.868 3.544 4.344 66 HG3 PRO 11 1HG PRO 11 7.202 4.694 3.169 67 HD2 PRO 11 2HD PRO 11 6.120 2.054 4.061 68 HD3 PRO 11 1HD PRO 11 5.256 3.559 3.687 69 H ASP 12 H ASP 12 7.006 0.339 2.382 70 HA ASP 12 HA ASP 12 8.589 -1.173 0.507 71 HB2 ASP 12 2HB ASP 12 7.909 -3.090 2.062 72 HB3 ASP 12 1HB ASP 12 8.880 -1.802 2.765 Start of MODEL 18 1 H1 GLY 1 H GLY 1 6.391 -0.074 -0.786 2 HA2 GLY 1 2HA GLY 1 4.924 -0.851 -2.408 3 HA3 GLY 1 1HA GLY 1 5.178 -2.482 -1.813 4 H CYS 2 H CYS 2 2.692 -1.662 -2.599 5 HA CYS 2 HA CYS 2 1.133 -0.818 -0.320 6 HB2 CYS 2 2HB CYS 2 -0.078 -2.050 -2.764 7 HB3 CYS 2 1HB CYS 2 -0.695 -0.752 -1.755 8 H ILE 3 H ILE 3 -0.487 -2.126 0.690 9 HA ILE 3 HA ILE 3 0.209 -4.975 0.726 10 HB ILE 3 HB ILE 3 -1.531 -3.579 2.730 11 HG12 ILE 3 2HG1 ILE 3 1.477 -3.880 2.839 12 HG13 ILE 3 1HG1 ILE 3 0.607 -2.364 2.635 13 HG21 ILE 3 1HG2 ILE 3 0.071 -5.624 3.851 14 HG22 ILE 3 2HG2 ILE 3 -0.631 -6.248 2.357 15 HG23 ILE 3 3HG2 ILE 3 -1.678 -5.605 3.623 16 HD11 ILE 3 3HD1 ILE 3 0.394 -4.141 5.053 17 HD12 ILE 3 1HD1 ILE 3 -0.309 -2.537 4.847 18 HD13 ILE 3 2HD1 ILE 3 1.443 -2.728 4.925 19 H GLU 4 H GLU 4 -1.473 -6.523 0.729 20 HA GLU 4 HA GLU 4 -3.602 -5.944 -1.056 21 HB2 GLU 4 2HB GLU 4 -2.959 -8.439 0.517 22 HB3 GLU 4 1HB GLU 4 -4.233 -8.338 -0.687 23 HG2 GLU 4 2HG GLU 4 -2.292 -9.396 -1.631 24 HG3 GLU 4 1HG GLU 4 -2.550 -7.832 -2.403 25 H GLY 5 H GLY 5 -4.082 -4.272 0.909 26 HA2 GLY 5 2HA GLY 5 -6.712 -4.587 1.606 27 HA3 GLY 5 1HA GLY 5 -5.824 -5.315 2.939 28 H SER 6 H SER 6 -4.853 -2.527 1.010 29 HA SER 6 HA SER 6 -5.524 -0.697 3.157 30 HB2 SER 6 2HB SER 6 -2.656 -1.036 2.231 31 HB3 SER 6 1HB SER 6 -3.238 0.144 3.405 32 HG SER 6 HG SER 6 -4.065 -2.204 4.247 33 HA PRO 7 HA PRO 7 -6.335 1.660 -0.543 34 HB2 PRO 7 2HB PRO 7 -6.605 3.938 1.306 35 HB3 PRO 7 1HB PRO 7 -7.803 3.231 0.219 36 HG2 PRO 7 2HG PRO 7 -7.964 2.933 2.883 37 HG3 PRO 7 1HG PRO 7 -8.468 1.651 1.765 38 HD2 PRO 7 2HD PRO 7 -5.944 1.895 3.357 39 HD3 PRO 7 1HD PRO 7 -6.943 0.460 3.042 40 H VAL 8 H VAL 8 -4.349 3.041 2.046 41 HA VAL 8 HA VAL 8 -2.806 4.582 0.113 42 HB VAL 8 HB VAL 8 -2.503 4.449 3.124 43 HG11 VAL 8 1HG1 VAL 8 -0.701 5.374 1.291 44 HG12 VAL 8 2HG1 VAL 8 -0.807 5.903 2.970 45 HG13 VAL 8 3HG1 VAL 8 -1.597 6.838 1.700 46 HG21 VAL 8 3HG2 VAL 8 -4.178 5.894 3.357 47 HG22 VAL 8 1HG2 VAL 8 -4.594 5.577 1.673 48 HG23 VAL 8 2HG2 VAL 8 -3.543 6.933 2.081 49 H CYS 9 H CYS 9 -0.906 3.880 -0.664 50 HA CYS 9 HA CYS 9 0.057 1.302 0.040 51 HB2 CYS 9 2HB CYS 9 1.231 3.439 -1.721 52 HB3 CYS 9 1HB CYS 9 1.906 1.836 -1.538 53 H PHE 10 H PHE 10 1.996 0.744 0.913 54 HA PHE 10 HA PHE 10 3.081 2.645 2.843 55 HB2 PHE 10 2HB PHE 10 3.213 -0.366 2.604 56 HB3 PHE 10 1HB PHE 10 4.232 0.527 3.725 57 HD1 PHE 10 1HD PHE 10 0.609 0.690 2.790 58 HD2 PHE 10 2HD PHE 10 3.515 0.318 5.878 59 HE1 PHE 10 1HE PHE 10 -1.187 0.650 4.470 60 HE2 PHE 10 2HE PHE 10 1.724 0.276 7.563 61 HZ PHE 10 HZ PHE 10 -0.631 0.443 6.861 62 HA PRO 11 HA PRO 11 6.913 3.345 0.782 63 HB2 PRO 11 2HB PRO 11 8.361 2.070 3.054 64 HB3 PRO 11 1HB PRO 11 8.593 3.663 2.325 65 HG2 PRO 11 2HG PRO 11 7.377 3.413 4.679 66 HG3 PRO 11 1HG PRO 11 6.819 4.601 3.486 67 HD2 PRO 11 2HD PRO 11 5.634 1.967 4.240 68 HD3 PRO 11 1HD PRO 11 4.826 3.480 3.782 69 H ASP 12 H ASP 12 6.927 0.220 2.487 70 HA ASP 12 HA ASP 12 8.572 -1.003 0.443 71 HB2 ASP 12 2HB ASP 12 8.388 -1.470 3.089 72 HB3 ASP 12 1HB ASP 12 7.245 -2.676 2.508 Start of MODEL 19 1 H1 GLY 1 H GLY 1 6.437 -0.137 -0.788 2 HA2 GLY 1 2HA GLY 1 4.987 -0.940 -2.409 3 HA3 GLY 1 1HA GLY 1 5.236 -2.561 -1.783 4 H CYS 2 H CYS 2 2.753 -1.653 -2.624 5 HA CYS 2 HA CYS 2 1.177 -0.795 -0.381 6 HB2 CYS 2 2HB CYS 2 0.025 -2.097 -2.823 7 HB3 CYS 2 1HB CYS 2 -0.663 -0.830 -1.822 8 H ILE 3 H ILE 3 -0.470 -2.063 0.634 9 HA ILE 3 HA ILE 3 0.230 -4.906 0.783 10 HB ILE 3 HB ILE 3 -1.549 -3.454 2.706 11 HG12 ILE 3 2HG1 ILE 3 1.458 -3.736 2.880 12 HG13 ILE 3 1HG1 ILE 3 0.583 -2.230 2.628 13 HG21 ILE 3 1HG2 ILE 3 -1.220 -5.252 4.146 14 HG22 ILE 3 2HG2 ILE 3 0.242 -5.773 3.308 15 HG23 ILE 3 3HG2 ILE 3 -1.336 -6.014 2.559 16 HD11 ILE 3 3HD1 ILE 3 1.464 -2.868 4.990 17 HD12 ILE 3 1HD1 ILE 3 0.010 -3.865 5.052 18 HD13 ILE 3 2HD1 ILE 3 -0.125 -2.123 4.808 19 H GLU 4 H GLU 4 -1.420 -6.449 0.726 20 HA GLU 4 HA GLU 4 -3.549 -5.878 -1.059 21 HB2 GLU 4 2HB GLU 4 -2.934 -8.404 0.475 22 HB3 GLU 4 1HB GLU 4 -4.089 -8.271 -0.843 23 HG2 GLU 4 2HG GLU 4 -1.124 -7.792 -1.065 24 HG3 GLU 4 1HG GLU 4 -1.967 -9.261 -1.554 25 H GLY 5 H GLY 5 -4.123 -4.230 0.837 26 HA2 GLY 5 2HA GLY 5 -6.711 -4.605 1.580 27 HA3 GLY 5 1HA GLY 5 -5.807 -5.334 2.900 28 H SER 6 H SER 6 -4.888 -2.508 0.997 29 HA SER 6 HA SER 6 -5.569 -0.716 3.176 30 HB2 SER 6 2HB SER 6 -2.705 -1.002 2.222 31 HB3 SER 6 1HB SER 6 -3.294 0.152 3.418 32 HG SER 6 HG SER 6 -4.085 -2.212 4.237 33 HA PRO 7 HA PRO 7 -6.440 1.703 -0.460 34 HB2 PRO 7 2HB PRO 7 -6.906 4.074 0.835 35 HB3 PRO 7 1HB PRO 7 -8.093 2.773 0.707 36 HG2 PRO 7 2HG PRO 7 -6.286 3.474 2.981 37 HG3 PRO 7 1HG PRO 7 -7.980 2.950 3.014 38 HD2 PRO 7 2HD PRO 7 -5.933 1.275 3.578 39 HD3 PRO 7 1HD PRO 7 -7.425 0.721 2.789 40 H VAL 8 H VAL 8 -4.335 3.005 2.076 41 HA VAL 8 HA VAL 8 -2.846 4.545 0.090 42 HB VAL 8 HB VAL 8 -2.498 4.482 3.098 43 HG11 VAL 8 1HG1 VAL 8 -1.550 6.639 1.242 44 HG12 VAL 8 2HG1 VAL 8 -0.563 5.217 1.577 45 HG13 VAL 8 3HG1 VAL 8 -1.037 6.290 2.893 46 HG21 VAL 8 3HG2 VAL 8 -4.495 5.536 3.049 47 HG22 VAL 8 1HG2 VAL 8 -4.337 5.988 1.351 48 HG23 VAL 8 2HG2 VAL 8 -3.508 6.925 2.594 49 H CYS 9 H CYS 9 -0.935 3.857 -0.678 50 HA CYS 9 HA CYS 9 0.035 1.283 0.031 51 HB2 CYS 9 2HB CYS 9 1.190 3.421 -1.740 52 HB3 CYS 9 1HB CYS 9 1.885 1.827 -1.550 53 H PHE 10 H PHE 10 1.994 0.735 0.889 54 HA PHE 10 HA PHE 10 3.082 2.654 2.803 55 HB2 PHE 10 2HB PHE 10 3.174 -0.360 2.614 56 HB3 PHE 10 1HB PHE 10 4.227 0.532 3.703 57 HD1 PHE 10 1HD PHE 10 0.601 0.825 2.826 58 HD2 PHE 10 2HD PHE 10 3.532 0.297 5.866 59 HE1 PHE 10 1HE PHE 10 -1.170 0.849 4.532 60 HE2 PHE 10 2HE PHE 10 1.765 0.319 7.578 61 HZ PHE 10 HZ PHE 10 -0.590 0.596 6.912 62 HA PRO 11 HA PRO 11 6.908 3.314 0.722 63 HB2 PRO 11 2HB PRO 11 8.352 2.105 3.033 64 HB3 PRO 11 1HB PRO 11 8.583 3.678 2.260 65 HG2 PRO 11 2HG PRO 11 7.359 3.493 4.616 66 HG3 PRO 11 1HG PRO 11 6.799 4.642 3.387 67 HD2 PRO 11 2HD PRO 11 5.626 2.023 4.212 68 HD3 PRO 11 1HD PRO 11 4.811 3.519 3.712 69 H ASP 12 H ASP 12 6.913 0.229 2.498 70 HA ASP 12 HA ASP 12 8.585 -1.035 0.502 71 HB2 ASP 12 2HB ASP 12 8.616 -1.481 3.051 72 HB3 ASP 12 1HB ASP 12 7.183 -2.459 2.755 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.352 -0.138 -0.792 2 HA2 GLY 1 2HA GLY 1 4.845 -0.864 -2.397 3 HA3 GLY 1 1HA GLY 1 5.103 -2.511 -1.845 4 H CYS 2 H CYS 2 2.593 -1.469 -2.570 5 HA CYS 2 HA CYS 2 1.119 -0.743 -0.218 6 HB2 CYS 2 2HB CYS 2 -0.267 -1.884 -2.588 7 HB3 CYS 2 1HB CYS 2 -0.706 -0.505 -1.594 8 H ILE 3 H ILE 3 -0.343 -2.036 0.919 9 HA ILE 3 HA ILE 3 0.300 -4.877 0.893 10 HB ILE 3 HB ILE 3 -1.571 -3.514 2.806 11 HG12 ILE 3 2HG1 ILE 3 1.433 -3.776 3.071 12 HG13 ILE 3 1HG1 ILE 3 0.558 -2.271 2.813 13 HG21 ILE 3 1HG2 ILE 3 -1.192 -5.343 4.231 14 HG22 ILE 3 2HG2 ILE 3 0.233 -5.855 3.328 15 HG23 ILE 3 3HG2 ILE 3 -1.372 -6.048 2.626 16 HD11 ILE 3 3HD1 ILE 3 -0.547 -3.529 5.094 17 HD12 ILE 3 1HD1 ILE 3 0.367 -2.023 4.998 18 HD13 ILE 3 2HD1 ILE 3 1.210 -3.552 5.252 19 H GLU 4 H GLU 4 -1.365 -6.468 0.850 20 HA GLU 4 HA GLU 4 -3.406 -5.931 -1.052 21 HB2 GLU 4 2HB GLU 4 -2.840 -8.429 0.546 22 HB3 GLU 4 1HB GLU 4 -3.944 -8.328 -0.818 23 HG2 GLU 4 2HG GLU 4 -2.113 -7.794 -2.304 24 HG3 GLU 4 1HG GLU 4 -0.986 -7.785 -0.948 25 H GLY 5 H GLY 5 -4.013 -4.271 0.865 26 HA2 GLY 5 2HA GLY 5 -6.650 -4.611 1.468 27 HA3 GLY 5 1HA GLY 5 -5.817 -5.353 2.828 28 H SER 6 H SER 6 -4.841 -2.522 0.951 29 HA SER 6 HA SER 6 -5.551 -0.739 3.127 30 HB2 SER 6 2HB SER 6 -2.677 -1.011 2.202 31 HB3 SER 6 1HB SER 6 -3.282 0.128 3.404 32 HG SER 6 HG SER 6 -4.075 -2.234 4.206 33 HA PRO 7 HA PRO 7 -6.384 1.690 -0.515 34 HB2 PRO 7 2HB PRO 7 -6.615 3.945 1.369 35 HB3 PRO 7 1HB PRO 7 -7.831 3.259 0.287 36 HG2 PRO 7 2HG PRO 7 -7.961 2.924 2.949 37 HG3 PRO 7 1HG PRO 7 -8.484 1.660 1.819 38 HD2 PRO 7 2HD PRO 7 -5.937 1.871 3.383 39 HD3 PRO 7 1HD PRO 7 -6.947 0.445 3.060 40 H VAL 8 H VAL 8 -4.360 3.055 2.060 41 HA VAL 8 HA VAL 8 -2.844 4.602 0.112 42 HB VAL 8 HB VAL 8 -2.505 4.468 3.118 43 HG11 VAL 8 1HG1 VAL 8 -1.624 6.843 1.626 44 HG12 VAL 8 2HG1 VAL 8 -0.699 5.374 1.313 45 HG13 VAL 8 3HG1 VAL 8 -0.852 5.986 2.960 46 HG21 VAL 8 3HG2 VAL 8 -3.591 6.931 2.016 47 HG22 VAL 8 1HG2 VAL 8 -4.140 5.964 3.386 48 HG23 VAL 8 2HG2 VAL 8 -4.644 5.541 1.749 49 H CYS 9 H CYS 9 -0.915 3.955 -0.653 50 HA CYS 9 HA CYS 9 0.054 1.361 -0.023 51 HB2 CYS 9 2HB CYS 9 1.213 3.558 -1.716 52 HB3 CYS 9 1HB CYS 9 1.919 1.964 -1.568 53 H PHE 10 H PHE 10 1.987 0.782 0.841 54 HA PHE 10 HA PHE 10 3.084 2.639 2.811 55 HB2 PHE 10 2HB PHE 10 3.135 -0.373 2.560 56 HB3 PHE 10 1HB PHE 10 4.176 0.485 3.688 57 HD1 PHE 10 2HD PHE 10 0.562 0.731 2.737 58 HD2 PHE 10 1HD PHE 10 3.443 0.316 5.842 59 HE1 PHE 10 2HE PHE 10 -1.243 0.731 4.408 60 HE2 PHE 10 1HE PHE 10 1.642 0.312 7.518 61 HZ PHE 10 HZ PHE 10 -0.705 0.521 6.802 62 HA PRO 11 HA PRO 11 6.942 3.261 0.780 63 HB2 PRO 11 2HB PRO 11 8.768 2.232 2.639 64 HB3 PRO 11 1HB PRO 11 8.160 3.888 2.588 65 HG2 PRO 11 2HG PRO 11 7.287 1.597 4.279 66 HG3 PRO 11 1HG PRO 11 7.372 3.322 4.678 67 HD2 PRO 11 2HD PRO 11 5.032 2.120 4.163 68 HD3 PRO 11 1HD PRO 11 5.350 3.788 3.639 69 H ASP 12 H ASP 12 6.900 0.127 2.474 70 HA ASP 12 HA ASP 12 8.523 -1.107 0.417 71 HB2 ASP 12 2HB ASP 12 8.595 -1.623 2.953 72 HB3 ASP 12 1HB ASP 12 7.143 -2.572 2.657