*HEADER ANTIMICROBIAL PROTEIN 24-SEP-09 SMS20104 *TITLE STRUCTURAL STUDIES OF ANTIMICROBIAL PEPTIDE XT-7 AND ITS LYSINE *TITLE 2 MUTATED PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANTIMICROBIAL PEPTIDE 7; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: XT-7; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: XENOPUS TROPICALIS; *SOURCE 4 ORGANISM_COMMON: WESTERN CLAWED FROG; *SOURCE 5 ORGANISM_TAXID: 8364; *SOURCE 6 OTHER_DETAILS: PURCHASED FROM GL BIOCHEM (SHANGHAI) LTD (CHINA) *KEYWDS ANTIMICROBIAL PEPTIDE, MOLECULAR MODELLING, HELIX, ANTIMICROBIAL *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.P.SUBASINGHAGE, C.M.HEWAGE, M.J.CONLON 3 LEU H 3 LEU HA 2.52 #peak 1 3 LEU HA 4 GLY H 2.90 #peak 2 8 LYS H 8 LYS HA 2.87 #peak 7 4 GLY H 4 GLY HA2 2.77 #peak 9 1 GLY HA2 2 LEU H 2.40 #peak 17 1 GLY HA3 2 LEU H 2.40 #peak 18 4 GLY H 4 GLY HA3 2.77 #peak 19 9 ILE HA 10 ALA H 3.36 #peak 20 15 SER HA 16 ASN H 3.55 #peak 21 8 LYS HA 10 ALA H 3.39 #peak 22 7 LEU HA 10 ALA H 4.07 #peak 23 12 LYS HA 16 ASN H 5.50 #peak 24 12 LYS HA 14 GLY H 4.85 #peak 25 15 SER HA 17 LEU H 3.55 #peak 26 5 PRO HA 8 LYS H 3.45 #peak 27 8 LYS HA 12 LYS H 3.92 #peak 30 6 LEU HA 9 ILE H 4.07 #peak 32 7 LEU HA 8 LYS H 3.55 #peak 33 3 LEU HA 6 LEU H 3.45 #peak 34 14 GLY QA 17 LEU H 6.29 #peak 36 9 ILE HA 12 LYS H 3.61 #peak 37 10 ALA HA 12 LYS H 4.66 #peak 38 9 ILE HA 11 ALA H 5.19 #peak 39 9 ILE HA 13 VAL H 5.16 #peak 40 13 VAL H 13 VAL HA 2.83 #peak 41 15 SER QB 16 ASN H 4.99 #peak 43 13 VAL HA 16 ASN H 3.83 #peak 44 17 LEU H 18 LEU H 3.39 #peak 49 6 LEU H 8 LYS H 5.50 #peak 50 8 LYS H 9 ILE H 2.40 #peak 51 15 SER H 17 LEU H 3.61 #peak 52 16 ASN H 17 LEU H 2.40 #peak 53 16 ASN H 18 LEU H 3.30 #peak 54 7 LEU H 8 LYS H 2.40 #peak 55 9 ILE H 10 ALA H 2.40 #peak 56 6 LEU H 7 LEU H 2.40 #peak 57 10 ALA H 12 LYS H 3.05 #peak 58 7 LEU H 9 ILE H 4.63 #peak 59 15 SER H 16 ASN H 2.59 #peak 60 14 GLY H 15 SER H 3.05 #peak 61 14 GLY H 16 ASN H 5.19 #peak 62 10 ALA H 11 ALA H 2.40 #peak 63 9 ILE H 11 ALA H 4.26 #peak 64 3 LEU H 4 GLY H 2.40 #peak 65 2 LEU H 3 LEU H 2.40 #peak 66 2 LEU H 4 GLY H 5.50 #peak 67 4 GLY H 6 LEU H 3.14 #peak 68 16 ASN H 16 ASN QB 3.28 #peak 69 16 ASN QB 17 LEU H 5.20 #peak 70 13 VAL H 13 VAL HB 2.40 #peak 71 13 VAL HB 14 GLY H 2.93 #peak 72 2 LEU H 2 LEU QB 3.28 #peak 73 3 LEU H 3 LEU QB 3.28 #peak 75 3 LEU QB 4 GLY H 3.37 #peak 76 9 ILE HB 10 ALA H 3.61 #peak 83 7 LEU HB3 8 LYS H 3.11 #peak 84 7 LEU HB2 8 LYS H 3.11 #peak 85 12 LYS H 12 LYS QB 3.28 #peak 89 12 LYS QB 13 VAL H 3.28 #peak 91 9 ILE H 9 ILE HB 3.11 #peak 98 17 LEU H 17 LEU HB2 3.27 #peak 101 8 LYS H 8 LYS HB2 3.05 #peak 113 8 LYS H 8 LYS HB3 3.05 #peak 114 6 LEU H 6 LEU QB 3.72 #peak 115 17 LEU H 17 LEU HB3 3.27 #peak 118 12 LYS HA 13 VAL H 3.36 #peak 125 13 VAL HA 14 GLY H 3.30 #peak 127 10 ALA HA 13 VAL HB 2.80 #peak 136 13 VAL HA 17 LEU H 4.63 #peak 137 8 LYS H 10 ALA H 4.04 #peak 146 12 LYS H 14 GLY H 3.42 #peak 147 10 ALA HA 13 VAL H 3.42 #peak 148 11 ALA HA 14 GLY H 4.01 #peak 149 10 ALA HA 14 GLY H 3.36 #peak 151 11 ALA HA 15 SER H 4.17 #peak 152 14 GLY QA 18 LEU H 6.38 #peak 153 12 LYS H 13 VAL H 2.62 #peak 154 11 ALA H 12 LYS H 2.62 #peak 155 17 LEU HA 18 LEU H 3.33 #peak 158 4 GLY H 5 PRO HD2 3.64 #peak 45 4 GLY H 5 PRO HD3 3.64 #peak 46 5 PRO HD2 6 LEU H 5.50 #peak 47 5 PRO HD3 6 LEU H 5.50 #peak 48 2 LEU H 2 LEU HG 5.50 #peak 74 3 LEU H 3 LEU QQD 5.18 #peak 77 3 LEU QQD 4 GLY H 4.96 #peak 78 2 LEU H 2 LEU QD1 4.04 #peak 79 2 LEU H 2 LEU QD2 4.04 #peak 80 10 ALA H 10 ALA QB 3.42 #peak 86 10 ALA QB 11 ALA H 3.45 #peak 87 11 ALA H 11 ALA QB 3.42 #peak 88 11 ALA QB 12 LYS H 3.42 #peak 90 9 ILE H 9 ILE QG2 3.42 #peak 92 9 ILE H 9 ILE QD1 3.42 #peak 93 9 ILE QG2 10 ALA H 3.42 #peak 94 9 ILE QD1 10 ALA H 3.42 #peak 95 7 LEU H 7 LEU QD2 3.48 #peak 105 7 LEU H 7 LEU QD1 3.48 #peak 106 7 LEU QD1 8 LYS H 3.82 #peak 107 7 LEU QD2 8 LYS H 3.82 #peak 108 13 VAL H 13 VAL QG1 3.42 #peak 109 13 VAL H 13 VAL QG2 3.42 #peak 110 13 VAL QG1 14 GLY H 4.91 #peak 111 13 VAL QG2 14 GLY H 4.91 #peak 112 11 ALA QB 14 GLY H 3.98 #peak 116 6 LEU H 6 LEU QQD 4.50 #peak 117 17 LEU H 17 LEU QQD 7.60 #peak 121 9 ILE HA 9 ILE QD1 3.79 #peak 130 9 ILE HB 9 ILE QD1 4.07 #peak 144 2 LEU H 2 LEU QQD 3.33 #peak 80 4 GLY H 4 GLY QA 2.26 #peak 9 4 GLY H 5 PRO QB 4.38 #peak 104 4 GLY QA 6 LEU H 3.29 #peak 145 4 GLY QA 7 LEU H 3.20 #peak 126 4 GLY QA 8 LYS H 3.79 #peak 150 5 PRO QB 6 LEU H 2.60 #peak 102 7 LEU H 7 LEU QB 2.35 #peak 81 7 LEU QB 8 LYS H 2.55 #peak 84 7 LEU QQD 8 LYS H 3.23 #peak 107 9 ILE H 9 ILE QG1 2.39 #peak 96 9 ILE HB 9 ILE QG1 2.31 #peak 140 9 ILE QG1 10 ALA H 4.02 #peak 100 13 VAL QQG 14 GLY H 4.09 #peak 111 17 LEU H 17 LEU QB 2.73 #peak 101 18 LEU H 18 LEU QB 3.68 #peak 120 # Number of dimensions 2 1 4.390 8.420 1 U 1.93e+004 0 e 0 10 9 2 4.389 8.638 1 U 8.15e+003 0 e 0 10 13 3 4.389 8.917 1 U 4.58e+003 0 e 0 4 3 4 3.924 8.429 1 U 8.83e+004 0 e 0 57 56 5 4.250 7.772 1 U 3.46e+003 0 e 0 49 48 6 4.101 7.820 1 U 3.27e+003 0 e 0 22 21 7 4.049 8.007 1 U 8.67e+003 0 e 0 32 31 8 4.105 8.421 1 U 1.15e+003 0 e 0 26 25 9 4.127 8.639 1 U 6.51e+004 0 e 0 14 13 10 4.315 8.206 1 U 2.19e+003 0 e 0 59 58 11 4.260 8.080 1 U 4.8e+003 0 e 0 67 66 12 3.817 7.962 1 U 1.12e+003 0 e 0 36 35 13 4.303 7.808 1 U 4.79e+003 0 e 0 72 71 14 4.678 8.293 1 U 1.08e+003 0 e 0 62 61 15 4.114 8.184 1 U 3.76e+003 0 e 0 46 45 16 3.978 8.520 1 U 1.58e+003 0 e 0 43 42 17 4.038 8.917 1 U 3.74e+004 0 e 0 1 3 18 3.954 8.917 1 U 3.57e+004 0 e 0 2 3 19 3.826 8.637 1 U 1.08e+004 0 e 0 15 13 20 3.815 8.521 1 U 3.41e+003 0 e 0 36 42 21 4.312 8.294 1 U 2.4e+003 0 e 0 59 61 22 4.047 8.520 1 U 3.07e+003 0 e 0 32 42 23 4.103 8.521 1 U 1.06e+003 0 e 0 26 42 24 4.246 8.294 1 U 138 0 e 0 49 61 25 4.246 8.434 1 U 367 0 e 0 49 56 26 4.308 8.081 1 U 2.41e+003 0 e 0 59 66 27 4.254 8.009 1 U 2.85e+003 0 e 0 16 31 28 4.259 7.820 1 U 1.13e+003 0 e 0 16 21 29 4.111 7.772 1 U 1.34e+003 0 e 0 46 48 30 4.042 7.771 1 U 1.33e+003 0 e 0 32 48 31 4.049 7.965 1 U 1.84e+003 0 e 0 32 35 32 4.102 7.965 1 U 1.06e+003 0 e 0 22 35 33 4.105 8.006 1 U 2.37e+003 0 e 0 26 31 34 4.381 7.822 1 U 2.87e+003 0 e 0 10 21 35 4.676 8.081 1 U 391 0 e 0 62 66 36 3.924 8.081 1 U 373 0 e 0 57 66 37 3.817 7.768 1 U 2.13e+003 0 e 0 36 48 38 3.982 7.771 1 U 456 0 e 0 43 48 39 3.816 8.181 1 U 242 0 e 0 36 45 40 3.813 8.204 1 U 252 0 e 0 36 51 41 4.028 8.208 1 U 9.18e+003 0 e 0 52 51 42 3.945 8.207 1 U 2.59e+003 0 e 0 60 58 43 3.955 8.291 1 U 2.01e+003 0 e 0 60 61 44 4.026 8.294 1 U 1.53e+003 0 e 0 52 61 45 3.748 8.638 1 U 4.67e+003 0 e 0 19 13 46 3.677 8.639 1 U 4.74e+003 0 e 0 20 13 47 3.747 7.822 1 U 712 0 e 0 19 21 48 3.673 7.820 1 U 588 0 e 0 20 21 49 7.806 8.082 1 U 3.1e+003 0 e 0 71 66 50 7.821 8.010 1 U 163 0 e 0 21 31 51 7.959 8.009 1 U 4.07e+004 0 e 0 35 31 52 8.079 8.204 1 U 2.18e+003 0 e 0 66 58 53 8.080 8.295 1 U 3.28e+004 0 e 0 66 61 54 7.801 8.295 1 U 3.71e+003 0 e 0 71 61 55 8.003 8.448 1 U 2.46e+004 0 e 0 31 25 56 7.961 8.520 1 U 4.08e+004 0 e 0 35 42 57 7.821 8.447 1 U 6.94e+004 0 e 0 21 25 58 7.776 8.520 1 U 5.78e+003 0 e 0 48 42 59 7.965 8.442 1 U 477 0 e 0 35 25 60 8.208 8.293 1 U 1.6e+004 0 e 0 58 61 61 8.207 8.432 1 U 6e+003 0 e 0 58 56 62 8.288 8.432 1 U 246 0 e 0 61 56 63 8.185 8.521 1 U 2.8e+004 0 e 0 45 42 64 7.963 8.185 1 U 810 0 e 0 35 45 65 8.422 8.637 1 U 2.71e+004 0 e 0 9 13 66 8.419 8.917 1 U 3.41e+004 0 e 0 9 3 67 8.639 8.921 1 U 50.8 0 e 0 13 3 68 7.818 8.639 1 U 4.95e+003 0 e 0 21 13 69 2.878 8.294 1 U 7.61e+004 0 e 0 65 61 70 2.880 8.081 1 U 1.44e+003 0 e 0 65 66 71 2.256 8.207 1 U 4.82e+004 0 e 0 53 51 72 2.255 8.432 1 U 7.63e+003 0 e 0 53 56 73 1.722 8.918 1 U 1.18e+005 0 e 0 6 3 74 1.656 8.918 1 U 510 0 e 0 5 3 75 1.716 8.420 1 U 1.82e+005 0 e 0 11 9 76 1.716 8.638 1 U 4.11e+004 0 e 0 11 13 77 0.922 8.423 1 U 1.85e+004 0 e 0 12 9 78 0.923 8.636 1 U 2.47e+004 0 e 0 12 13 79 0.957 8.915 1 U 1e+004 0 e 0 7 3 80 0.927 8.917 1 U 2.01e+004 0 e 0 8 3 81 2.047 8.446 1 U 4.44e+004 0 e 0 27 25 82 1.915 8.446 1 U 3.13e+003 0 e 0 28 25 83 2.044 8.521 1 U 2.12e+003 0 e 0 37 42 84 1.922 8.006 1 U 1.18e+004 0 e 0 28 31 85 2.038 8.006 1 U 5.24e+003 0 e 0 27 31 86 1.475 8.520 1 U 1.5e+005 0 e 0 44 42 87 1.475 8.184 1 U 2.32e+004 0 e 0 44 45 88 1.528 8.183 1 U 9.49e+004 0 e 0 47 45 89 2.027 7.771 1 U 7.39e+004 0 e 0 50 48 90 1.533 7.770 1 U 5.94e+004 0 e 0 47 48 91 2.030 8.205 1 U 7.16e+004 0 e 0 50 51 92 0.931 7.963 1 U 3.18e+004 0 e 0 41 35 93 0.870 7.962 1 U 2.81e+004 0 e 0 40 35 94 0.928 8.521 1 U 3.62e+004 0 e 0 41 42 95 0.869 8.521 1 U 2.57e+004 0 e 0 40 42 96 1.157 7.962 1 U 3.18e+004 0 e 0 39 35 97 1.157 8.522 1 U 256 0 e 0 39 42 98 2.038 7.964 1 U 5.22e+003 0 e 0 37 35 99 1.875 7.963 1 U 1.46e+003 0 e 0 38 35 100 1.875 8.522 1 U 2.79e+003 0 e 0 38 42 101 1.789 8.081 1 U 7.4e+003 0 e 0 68 66 102 2.398 7.821 1 U 1.55e+004 0 e 0 17 21 103 2.215 7.820 1 U 425 0 e 0 18 21 104 2.213 8.638 1 U 579 0 e 0 18 13 105 0.849 8.446 1 U 2.31e+004 0 e 0 30 25 106 0.919 8.448 1 U 3.12e+004 0 e 0 29 25 107 0.920 8.005 1 U 2.28e+004 0 e 0 29 31 108 0.858 8.002 1 U 1.32e+004 0 e 0 30 31 109 1.054 8.207 1 U 7.72e+004 0 e 0 54 51 110 0.990 8.207 1 U 3.97e+004 0 e 0 55 51 111 1.056 8.432 1 U 6.5e+003 0 e 0 54 56 112 0.975 8.430 1 U 3.64e+003 0 e 0 55 56 113 1.645 8.007 1 U 5.81e+003 0 e 0 33 31 114 1.524 8.007 1 U 6.52e+003 0 e 0 34 31 115 1.900 7.820 1 U 1.86e+004 0 e 0 23 21 116 1.526 8.445 1 U 1.06e+004 0 e 0 47 56 117 0.911 7.816 1 U 9.66e+004 0 e 0 24 21 118 1.614 8.081 1 U 4.01e+003 0 e 0 69 66 119 1.791 7.811 1 U 852 0 e 0 73 71 120 1.661 7.813 1 U 1.06e+003 0 e 0 74 71 121 0.923 8.081 1 U 1.08e+003 0 e 0 70 66 122 2.879 7.666 1 U 1.9e+003 0 e 0 65 63 123 2.879 6.999 1 U 532 0 e 0 65 64 124 7.001 7.669 1 U 1.06e+004 0 e 0 64 63 125 4.247 8.206 1 U 3.28e+003 0 e 0 49 51 126 3.826 8.433 1 U 4.13e+003 0 e 0 15 25 127 4.030 8.440 1 U 3.71e+003 0 e 0 52 56 128 0.875 1.156 1 U 2.15e+003 0 e 0 40 39 129 0.931 3.815 1 U 6.82e+003 0 e 0 41 36 130 0.872 3.814 1 U 1.43e+004 0 e 0 40 36 131 1.477 3.978 1 U 6.58e+004 0 e 0 44 43 132 1.533 4.115 1 U 1.2e+004 0 e 0 47 46 133 1.893 4.103 1 U 1.45e+003 0 e 0 23 22 134 1.871 3.815 1 U 1.7e+003 0 e 0 38 36 135 2.035 3.813 1 U 2e+003 0 e 0 37 36 136 2.258 3.975 1 U 1e+004 0 e 0 53 43 137 4.034 8.084 1 U 471 0 e 0 52 66 138 1.155 3.818 1 U 2.14e+003 0 e 0 39 36 139 1.155 1.870 1 U 9.79e+004 0 e 0 39 38 140 1.155 2.035 1 U 3.18e+004 0 e 0 39 37 141 1.054 2.239 1 U 1.48e+004 0 e 0 54 53 142 0.991 2.237 1 U 3.02e+004 0 e 0 55 53 143 0.929 2.040 1 U 1.58e+004 0 e 0 41 37 144 0.866 2.038 1 U 9.47e+003 0 e 0 40 37 145 3.815 7.819 1 U 3.54e+003 0 e 0 15 21 146 8.003 8.522 1 U 1.07e+003 0 e 0 31 42 147 7.772 8.439 1 U 2.98e+003 0 e 0 48 56 148 3.976 8.204 1 U 2.95e+003 0 e 0 43 51 149 4.114 8.435 1 U 1.15e+003 0 e 0 46 56 150 3.815 8.003 1 U 1.47e+003 0 e 0 15 31 151 3.979 8.432 1 U 3.23e+003 0 e 0 43 56 152 4.115 8.207 1 U 911 0 e 0 46 58 153 3.942 7.802 1 U 211 0 e 0 57 71 154 7.770 8.203 1 U 1.53e+004 0 e 0 48 51 155 7.771 8.187 1 U 1.53e+004 0 e 0 48 45 156 3.976 8.185 1 U 1.17e+003 0 e 0 43 45 157 3.927 8.207 1 U 2.59e+003 0 e 0 57 58 158 4.264 7.803 1 U 3.46e+003 0 e 0 67 71 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 3.278 -16.739 3.710 2 HA2 GLY 1 HA2 GLY 1 1.866 -15.815 1.895 3 HA3 GLY 1 HA3 GLY 1 2.073 -14.595 3.195 4 H LEU 2 H LEU 2 1.510 -13.774 0.524 5 HA LEU 2 HA LEU 2 4.085 -13.085 -0.753 6 HB2 LEU 2 HB2 LEU 2 1.181 -12.339 -1.425 7 HB3 LEU 2 HB3 LEU 2 2.592 -11.649 -2.256 8 HG LEU 2 HG LEU 2 3.343 -13.874 -3.024 9 HD11 LEU 2 HD11 LEU 2 2.492 -15.389 -1.256 10 HD12 LEU 2 HD12 LEU 2 1.810 -15.874 -2.819 11 HD13 LEU 2 HD13 LEU 2 0.798 -14.964 -1.664 12 HD21 LEU 2 HD21 LEU 2 1.803 -12.504 -4.455 13 HD22 LEU 2 HD22 LEU 2 0.390 -13.299 -3.700 14 HD23 LEU 2 HD23 LEU 2 1.528 -14.249 -4.700 15 H LEU 3 H LEU 3 1.513 -11.417 1.266 16 HA LEU 3 HA LEU 3 1.409 -9.231 1.978 17 HB2 LEU 3 HB2 LEU 3 3.551 -10.136 3.183 18 HB3 LEU 3 HB3 LEU 3 4.470 -9.293 1.922 19 HG LEU 3 HG LEU 3 3.140 -7.138 2.669 20 HD11 LEU 3 HD11 LEU 3 1.415 -8.284 4.126 21 HD12 LEU 3 HD12 LEU 3 2.376 -7.104 5.037 22 HD13 LEU 3 HD13 LEU 3 2.714 -8.850 5.202 23 HD21 LEU 3 HD21 LEU 3 4.806 -6.678 4.492 24 HD22 LEU 3 HD22 LEU 3 5.589 -7.496 3.117 25 HD23 LEU 3 HD23 LEU 3 5.188 -8.423 4.588 26 H GLY 4 H GLY 4 0.987 -9.680 -0.723 27 HA2 GLY 4 HA2 GLY 4 2.746 -7.923 -2.277 28 HA3 GLY 4 HA3 GLY 4 1.346 -8.799 -2.880 29 HA PRO 5 HA PRO 5 -0.762 -4.944 -2.872 30 HB2 PRO 5 HB2 PRO 5 -3.413 -5.522 -2.195 31 HB3 PRO 5 HB3 PRO 5 -2.647 -6.088 -3.714 32 HG2 PRO 5 HG2 PRO 5 -2.860 -7.660 -1.102 33 HG3 PRO 5 HG3 PRO 5 -3.419 -8.187 -2.719 34 HD2 PRO 5 HD2 PRO 5 -0.979 -8.979 -1.820 35 HD3 PRO 5 HD3 PRO 5 -1.093 -8.393 -3.525 36 H LEU 6 H LEU 6 -0.933 -6.826 0.245 37 HA LEU 6 HA LEU 6 -2.023 -4.718 1.808 38 HB2 LEU 6 HB2 LEU 6 0.063 -6.855 2.518 39 HB3 LEU 6 HB3 LEU 6 -0.630 -5.761 3.735 40 HG LEU 6 HG LEU 6 -2.392 -7.624 2.016 41 HD11 LEU 6 HD11 LEU 6 -0.831 -9.051 3.305 42 HD12 LEU 6 HD12 LEU 6 -2.459 -9.156 4.013 43 HD13 LEU 6 HD13 LEU 6 -1.209 -8.154 4.809 44 HD21 LEU 6 HD21 LEU 6 -3.662 -5.735 3.088 45 HD22 LEU 6 HD22 LEU 6 -2.939 -6.141 4.669 46 HD23 LEU 6 HD23 LEU 6 -4.059 -7.274 3.868 47 H LEU 7 H LEU 7 1.470 -5.429 0.928 48 HA LEU 7 HA LEU 7 2.415 -3.068 2.192 49 HB2 LEU 7 HB2 LEU 7 3.492 -4.786 -0.076 50 HB3 LEU 7 HB3 LEU 7 4.148 -3.152 0.025 51 HG LEU 7 HG LEU 7 4.159 -4.959 2.483 52 HD11 LEU 7 HD11 LEU 7 6.339 -4.657 0.318 53 HD12 LEU 7 HD12 LEU 7 5.429 -6.148 0.697 54 HD13 LEU 7 HD13 LEU 7 6.571 -5.474 1.890 55 HD21 LEU 7 HD21 LEU 7 5.995 -3.431 3.226 56 HD22 LEU 7 HD22 LEU 7 4.537 -2.473 2.899 57 HD23 LEU 7 HD23 LEU 7 5.864 -2.499 1.712 58 H LYS 8 H LYS 8 1.193 -3.567 -1.238 59 HA LYS 8 HA LYS 8 1.846 -1.034 -2.089 60 HB2 LYS 8 HB2 LYS 8 0.817 -2.769 -3.600 61 HB3 LYS 8 HB3 LYS 8 -0.760 -2.501 -2.809 62 HG2 LYS 8 HG2 LYS 8 -0.687 -1.348 -4.962 63 HG3 LYS 8 HG3 LYS 8 -0.841 -0.152 -3.654 64 HD2 LYS 8 HD2 LYS 8 1.564 0.456 -3.864 65 HD3 LYS 8 HD3 LYS 8 1.835 -0.889 -5.012 66 HE2 LYS 8 HE2 LYS 8 0.285 0.225 -6.653 67 HE3 LYS 8 HE3 LYS 8 0.001 1.545 -5.485 68 HZ1 LYS 8 HZ1 LYS 8 2.410 2.113 -5.578 69 HZ2 LYS 8 HZ2 LYS 8 1.688 2.173 -7.161 70 HZ3 LYS 8 HZ3 LYS 8 2.683 0.818 -6.716 71 H ILE 9 H ILE 9 -1.128 -1.990 -0.188 72 HA ILE 9 HA ILE 9 -2.264 0.664 -0.376 73 HB ILE 9 HB ILE 9 -2.731 -1.414 1.836 74 HG12 ILE 9 HG12 ILE 9 -3.443 -2.531 -0.179 75 HG13 ILE 9 HG13 ILE 9 -4.893 -1.920 0.612 76 HG21 ILE 9 HG21 ILE 9 -3.403 0.868 2.539 77 HG22 ILE 9 HG22 ILE 9 -4.366 1.076 1.054 78 HG23 ILE 9 HG23 ILE 9 -4.841 -0.138 2.273 79 HD11 ILE 9 HD11 ILE 9 -5.068 -1.567 -1.806 80 HD12 ILE 9 HD12 ILE 9 -4.909 0.040 -1.050 81 HD13 ILE 9 HD13 ILE 9 -3.508 -0.718 -1.873 82 H ALA 10 H ALA 10 -0.224 -1.010 2.181 83 HA ALA 10 HA ALA 10 -0.249 1.160 3.953 84 HB1 ALA 10 HB1 ALA 10 0.737 -1.057 4.560 85 HB2 ALA 10 HB2 ALA 10 2.101 -0.774 3.440 86 HB3 ALA 10 HB3 ALA 10 1.896 0.268 4.878 87 H ALA 11 H ALA 11 2.088 0.513 1.207 88 HA ALA 11 HA ALA 11 3.651 2.853 1.808 89 HB1 ALA 11 HB1 ALA 11 4.577 0.960 0.474 90 HB2 ALA 11 HB2 ALA 11 3.410 1.285 -0.840 91 HB3 ALA 11 HB3 ALA 11 4.669 2.494 -0.444 92 H LYS 12 H LYS 12 1.017 2.179 -0.659 93 HA LYS 12 HA LYS 12 1.278 4.709 -1.900 94 HB2 LYS 12 HB2 LYS 12 0.030 2.840 -2.947 95 HB3 LYS 12 HB3 LYS 12 -1.236 2.938 -1.695 96 HG2 LYS 12 HG2 LYS 12 -1.803 5.277 -2.431 97 HG3 LYS 12 HG3 LYS 12 -0.510 5.202 -3.661 98 HD2 LYS 12 HD2 LYS 12 -1.699 3.278 -4.774 99 HD3 LYS 12 HD3 LYS 12 -2.984 3.356 -3.538 100 HE2 LYS 12 HE2 LYS 12 -3.541 5.700 -4.272 101 HE3 LYS 12 HE3 LYS 12 -2.241 5.628 -5.496 102 HZ1 LYS 12 HZ1 LYS 12 -4.432 5.151 -6.498 103 HZ2 LYS 12 HZ2 LYS 12 -4.678 3.816 -5.407 104 HZ3 LYS 12 HZ3 LYS 12 -3.407 3.751 -6.603 105 H VAL 13 H VAL 13 -1.048 3.623 0.722 106 HA VAL 13 HA VAL 13 -2.216 6.275 0.856 107 HB VAL 13 HB VAL 13 -2.365 3.944 2.852 108 HG11 VAL 13 HG11 VAL 13 -4.314 5.206 3.834 109 HG12 VAL 13 HG12 VAL 13 -2.792 6.102 4.041 110 HG13 VAL 13 HG13 VAL 13 -3.949 6.594 2.771 111 HG21 VAL 13 HG21 VAL 13 -4.653 3.615 1.900 112 HG22 VAL 13 HG22 VAL 13 -4.401 4.969 0.763 113 HG23 VAL 13 HG23 VAL 13 -3.442 3.476 0.601 114 H GLY 14 H GLY 14 0.184 4.429 2.944 115 HA2 GLY 14 HA2 GLY 14 0.525 6.386 4.881 116 HA3 GLY 14 HA3 GLY 14 1.845 5.317 4.341 117 H SER 15 H1 SER 15 2.231 6.145 1.642 118 HA SER 15 HA SER 15 3.809 8.516 2.180 119 HB2 SER 15 HB2 SER 15 4.545 6.796 0.550 120 HB3 SER 15 HB3 SER 15 3.178 7.186 -0.530 121 HG SER 15 HG SER 15 4.150 9.369 -0.671 122 H ASN 16 H ASN 16 0.837 7.865 0.116 123 HA ASN 16 HA ASN 16 0.707 10.476 -0.898 124 HB2 ASN 16 HB2 ASN 16 -0.654 8.660 -1.876 125 HB3 ASN 16 HB3 ASN 16 -1.608 8.505 -0.387 126 HD21 ASN 16 HD21 ASN 16 -0.751 10.919 -3.011 127 HD22 ASN 16 HD22 ASN 16 -2.245 11.771 -2.885 128 H LEU 17 H LEU 17 -1.182 9.095 1.922 129 HA LEU 17 HA LEU 17 -1.961 11.893 2.586 130 HB2 LEU 17 HB2 LEU 17 -3.751 10.235 2.182 131 HB3 LEU 17 HB3 LEU 17 -3.100 9.190 3.465 132 HG LEU 17 HG LEU 17 -3.590 10.960 5.179 133 HD11 LEU 17 HD11 LEU 17 -3.492 13.067 3.884 134 HD12 LEU 17 HD12 LEU 17 -5.129 12.887 4.534 135 HD13 LEU 17 HD13 LEU 17 -4.817 12.513 2.814 136 HD21 LEU 17 HD21 LEU 17 -5.260 9.157 4.681 137 HD22 LEU 17 HD22 LEU 17 -6.013 10.196 3.437 138 HD23 LEU 17 HD23 LEU 17 -6.069 10.670 5.159 139 H LEU 18 H LEU 18 -0.747 8.840 4.283 140 HA LEU 18 HA LEU 18 0.478 8.648 6.210 141 HB2 LEU 18 HB2 LEU 18 1.830 10.582 4.936 142 HB3 LEU 18 HB3 LEU 18 1.187 11.624 6.223 143 HG LEU 18 HG LEU 18 2.885 9.074 6.616 144 HD11 LEU 18 HD11 LEU 18 4.664 10.645 7.382 145 HD12 LEU 18 HD12 LEU 18 3.597 12.042 7.056 146 HD13 LEU 18 HD13 LEU 18 4.178 11.020 5.708 147 HD21 LEU 18 HD21 LEU 18 1.771 11.048 8.714 148 HD22 LEU 18 HD22 LEU 18 2.996 9.789 9.048 149 HD23 LEU 18 HD23 LEU 18 1.356 9.314 8.565 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 3.634 -15.449 4.053 2 HA2 GLY 1 HA2 GLY 1 1.728 -15.628 2.444 3 HA3 GLY 1 HA3 GLY 1 1.123 -14.105 3.165 4 H LEU 2 H LEU 2 1.349 -13.863 0.527 5 HA LEU 2 HA LEU 2 4.048 -13.121 -0.325 6 HB2 LEU 2 HB2 LEU 2 1.283 -12.516 -1.534 7 HB3 LEU 2 HB3 LEU 2 2.796 -11.904 -2.228 8 HG LEU 2 HG LEU 2 1.973 -13.860 -3.447 9 HD11 LEU 2 HD11 LEU 2 4.460 -13.389 -3.359 10 HD12 LEU 2 HD12 LEU 2 4.062 -15.100 -3.661 11 HD13 LEU 2 HD13 LEU 2 4.621 -14.598 -2.051 12 HD21 LEU 2 HD21 LEU 2 0.875 -15.124 -1.577 13 HD22 LEU 2 HD22 LEU 2 2.490 -15.565 -0.932 14 HD23 LEU 2 HD23 LEU 2 1.977 -16.148 -2.534 15 H LEU 3 H LEU 3 1.200 -11.405 1.159 16 HA LEU 3 HA LEU 3 1.043 -9.248 1.923 17 HB2 LEU 3 HB2 LEU 3 3.321 -10.202 3.027 18 HB3 LEU 3 HB3 LEU 3 4.084 -9.048 1.920 19 HG LEU 3 HG LEU 3 2.461 -7.264 3.017 20 HD11 LEU 3 HD11 LEU 3 1.749 -7.749 5.348 21 HD12 LEU 3 HD12 LEU 3 2.394 -9.411 5.236 22 HD13 LEU 3 HD13 LEU 3 0.989 -8.932 4.260 23 HD21 LEU 3 HD21 LEU 3 4.724 -8.519 4.705 24 HD22 LEU 3 HD22 LEU 3 4.092 -6.855 4.874 25 HD23 LEU 3 HD23 LEU 3 4.963 -7.335 3.396 26 H GLY 4 H GLY 4 1.094 -9.806 -1.019 27 HA2 GLY 4 HA2 GLY 4 2.765 -7.841 -2.253 28 HA3 GLY 4 HA3 GLY 4 1.394 -8.646 -3.021 29 HA PRO 5 HA PRO 5 -0.787 -4.869 -2.899 30 HB2 PRO 5 HB2 PRO 5 -3.421 -5.461 -2.199 31 HB3 PRO 5 HB3 PRO 5 -2.667 -6.051 -3.713 32 HG2 PRO 5 HG2 PRO 5 -2.856 -7.578 -1.071 33 HG3 PRO 5 HG3 PRO 5 -3.423 -8.136 -2.673 34 HD2 PRO 5 HD2 PRO 5 -0.968 -8.892 -1.766 35 HD3 PRO 5 HD3 PRO 5 -1.107 -8.366 -3.488 36 H LEU 6 H LEU 6 -0.914 -6.750 0.227 37 HA LEU 6 HA LEU 6 -1.991 -4.585 1.755 38 HB2 LEU 6 HB2 LEU 6 -0.081 -6.852 2.542 39 HB3 LEU 6 HB3 LEU 6 -0.762 -5.720 3.728 40 HG LEU 6 HG LEU 6 -2.568 -7.423 1.893 41 HD11 LEU 6 HD11 LEU 6 -1.528 -8.127 4.704 42 HD12 LEU 6 HD12 LEU 6 -1.197 -9.010 3.179 43 HD13 LEU 6 HD13 LEU 6 -2.840 -8.993 3.851 44 HD21 LEU 6 HD21 LEU 6 -3.121 -5.989 4.570 45 HD22 LEU 6 HD22 LEU 6 -4.287 -7.002 3.679 46 HD23 LEU 6 HD23 LEU 6 -3.737 -5.471 2.977 47 H LEU 7 H LEU 7 1.463 -5.415 0.825 48 HA LEU 7 HA LEU 7 2.545 -3.135 2.166 49 HB2 LEU 7 HB2 LEU 7 3.413 -4.498 -0.447 50 HB3 LEU 7 HB3 LEU 7 4.316 -3.135 0.243 51 HG LEU 7 HG LEU 7 3.823 -5.706 1.824 52 HD11 LEU 7 HD11 LEU 7 6.150 -6.403 1.164 53 HD12 LEU 7 HD12 LEU 7 6.262 -4.981 0.084 54 HD13 LEU 7 HD13 LEU 7 5.088 -6.284 -0.260 55 HD21 LEU 7 HD21 LEU 7 5.834 -4.916 3.148 56 HD22 LEU 7 HD22 LEU 7 4.486 -3.772 3.269 57 HD23 LEU 7 HD23 LEU 7 5.861 -3.415 2.185 58 H LYS 8 H LYS 8 1.139 -3.497 -1.217 59 HA LYS 8 HA LYS 8 1.826 -0.896 -1.969 60 HB2 LYS 8 HB2 LYS 8 0.876 -2.592 -3.560 61 HB3 LYS 8 HB3 LYS 8 -0.742 -2.349 -2.840 62 HG2 LYS 8 HG2 LYS 8 -0.717 0.058 -3.531 63 HG3 LYS 8 HG3 LYS 8 0.952 -0.132 -4.141 64 HD2 LYS 8 HD2 LYS 8 0.156 -1.746 -5.875 65 HD3 LYS 8 HD3 LYS 8 -1.496 -1.678 -5.203 66 HE2 LYS 8 HE2 LYS 8 -1.356 -0.298 -7.230 67 HE3 LYS 8 HE3 LYS 8 -1.683 0.736 -5.819 68 HZ1 LYS 8 HZ1 LYS 8 0.002 1.674 -7.407 69 HZ2 LYS 8 HZ2 LYS 8 1.064 0.338 -7.064 70 HZ3 LYS 8 HZ3 LYS 8 0.654 1.500 -5.825 71 H ILE 9 H ILE 9 -1.159 -1.997 -0.136 72 HA ILE 9 HA ILE 9 -2.345 0.628 -0.254 73 HB ILE 9 HB ILE 9 -2.734 -1.500 1.927 74 HG12 ILE 9 HG12 ILE 9 -3.472 -2.557 -0.120 75 HG13 ILE 9 HG13 ILE 9 -4.904 -2.025 0.758 76 HG21 ILE 9 HG21 ILE 9 -4.864 -0.257 2.433 77 HG22 ILE 9 HG22 ILE 9 -3.423 0.738 2.727 78 HG23 ILE 9 HG23 ILE 9 -4.397 1.006 1.261 79 HD11 ILE 9 HD11 ILE 9 -3.668 -0.677 -1.733 80 HD12 ILE 9 HD12 ILE 9 -5.195 -1.580 -1.636 81 HD13 ILE 9 HD13 ILE 9 -5.056 -0.004 -0.819 82 H ALA 10 H ALA 10 -0.266 -1.028 2.275 83 HA ALA 10 HA ALA 10 -0.306 1.148 4.051 84 HB1 ALA 10 HB1 ALA 10 2.025 -0.814 3.545 85 HB2 ALA 10 HB2 ALA 10 1.839 0.237 4.981 86 HB3 ALA 10 HB3 ALA 10 0.659 -1.071 4.670 87 H ALA 11 H ALA 11 2.025 0.492 1.305 88 HA ALA 11 HA ALA 11 3.621 2.809 1.967 89 HB1 ALA 11 HB1 ALA 11 3.483 1.203 -0.664 90 HB2 ALA 11 HB2 ALA 11 4.742 2.394 -0.221 91 HB3 ALA 11 HB3 ALA 11 4.576 0.878 0.713 92 H LYS 12 H LYS 12 1.104 2.139 -0.615 93 HA LYS 12 HA LYS 12 1.461 4.665 -1.861 94 HB2 LYS 12 HB2 LYS 12 0.308 2.767 -2.964 95 HB3 LYS 12 HB3 LYS 12 -1.061 2.895 -1.824 96 HG2 LYS 12 HG2 LYS 12 -1.586 5.177 -2.650 97 HG3 LYS 12 HG3 LYS 12 -0.171 5.141 -3.743 98 HD2 LYS 12 HD2 LYS 12 -1.160 3.150 -4.933 99 HD3 LYS 12 HD3 LYS 12 -2.605 3.243 -3.894 100 HE2 LYS 12 HE2 LYS 12 -1.630 5.432 -5.852 101 HE3 LYS 12 HE3 LYS 12 -2.940 4.264 -6.162 102 HZ1 LYS 12 HZ1 LYS 12 -4.181 5.225 -4.207 103 HZ2 LYS 12 HZ2 LYS 12 -3.926 6.351 -5.506 104 HZ3 LYS 12 HZ3 LYS 12 -2.966 6.480 -4.083 105 H VAL 13 H VAL 13 -0.980 3.582 0.662 106 HA VAL 13 HA VAL 13 -2.159 6.237 0.737 107 HB VAL 13 HB VAL 13 -2.353 3.947 2.779 108 HG11 VAL 13 HG11 VAL 13 -2.801 6.134 3.898 109 HG12 VAL 13 HG12 VAL 13 -3.934 6.591 2.594 110 HG13 VAL 13 HG13 VAL 13 -4.320 5.233 3.689 111 HG21 VAL 13 HG21 VAL 13 -4.624 3.600 1.789 112 HG22 VAL 13 HG22 VAL 13 -4.334 4.910 0.611 113 HG23 VAL 13 HG23 VAL 13 -3.382 3.403 0.528 114 H GLY 14 H GLY 14 0.169 4.402 2.917 115 HA2 GLY 14 HA2 GLY 14 0.521 6.412 4.802 116 HA3 GLY 14 HA3 GLY 14 1.822 5.294 4.320 117 H SER 15 H1 SER 15 2.096 6.133 1.512 118 HA SER 15 HA SER 15 3.803 8.437 2.021 119 HB2 SER 15 HB2 SER 15 4.464 6.745 0.321 120 HB3 SER 15 HB3 SER 15 3.005 7.109 -0.641 121 HG SER 15 HG SER 15 5.078 9.021 -0.096 122 H ASN 16 H ASN 16 0.710 7.870 0.115 123 HA ASN 16 HA ASN 16 0.652 10.536 -0.854 124 HB2 ASN 16 HB2 ASN 16 -0.632 8.737 -1.936 125 HB3 ASN 16 HB3 ASN 16 -1.692 8.570 -0.526 126 HD21 ASN 16 HD21 ASN 16 -3.155 10.492 0.049 127 HD22 ASN 16 HD22 ASN 16 -3.554 11.600 -1.206 128 H LEU 17 H LEU 17 -1.376 9.040 1.830 129 HA LEU 17 HA LEU 17 -2.170 11.767 2.591 130 HB2 LEU 17 HB2 LEU 17 -3.875 10.002 2.605 131 HB3 LEU 17 HB3 LEU 17 -2.915 9.021 3.731 132 HG LEU 17 HG LEU 17 -3.171 10.744 5.525 133 HD11 LEU 17 HD11 LEU 17 -4.913 12.235 3.456 134 HD12 LEU 17 HD12 LEU 17 -3.429 12.854 4.243 135 HD13 LEU 17 HD13 LEU 17 -4.895 12.597 5.205 136 HD21 LEU 17 HD21 LEU 17 -5.592 10.331 5.973 137 HD22 LEU 17 HD22 LEU 17 -4.814 8.861 5.333 138 HD23 LEU 17 HD23 LEU 17 -5.844 9.862 4.267 139 H LEU 18 H LEU 18 -0.492 8.915 4.219 140 HA LEU 18 HA LEU 18 0.836 8.877 6.094 141 HB2 LEU 18 HB2 LEU 18 2.094 10.617 4.495 142 HB3 LEU 18 HB3 LEU 18 1.590 11.814 5.701 143 HG LEU 18 HG LEU 18 3.275 9.281 6.233 144 HD11 LEU 18 HD11 LEU 18 5.144 10.875 6.649 145 HD12 LEU 18 HD12 LEU 18 4.079 12.258 6.264 146 HD13 LEU 18 HD13 LEU 18 4.511 11.074 4.995 147 HD21 LEU 18 HD21 LEU 18 2.396 11.507 8.184 148 HD22 LEU 18 HD22 LEU 18 3.621 10.258 8.549 149 HD23 LEU 18 HD23 LEU 18 1.934 9.780 8.271 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 2.940 -15.795 4.322 2 HA2 GLY 1 HA2 GLY 1 0.841 -15.226 3.111 3 HA3 GLY 1 HA3 GLY 1 0.959 -13.608 3.866 4 H LEU 2 H LEU 2 0.805 -13.802 1.050 5 HA LEU 2 HA LEU 2 3.462 -13.782 -0.106 6 HB2 LEU 2 HB2 LEU 2 1.119 -14.052 -1.287 7 HB3 LEU 2 HB3 LEU 2 1.081 -12.276 -1.306 8 HG LEU 2 HG LEU 2 3.149 -14.173 -2.619 9 HD11 LEU 2 HD11 LEU 2 0.910 -14.065 -3.757 10 HD12 LEU 2 HD12 LEU 2 2.197 -13.364 -4.769 11 HD13 LEU 2 HD13 LEU 2 1.070 -12.288 -3.893 12 HD21 LEU 2 HD21 LEU 2 4.459 -12.208 -2.078 13 HD22 LEU 2 HD22 LEU 2 3.129 -11.096 -2.544 14 HD23 LEU 2 HD23 LEU 2 4.019 -12.033 -3.778 15 H LEU 3 H LEU 3 1.201 -11.290 1.347 16 HA LEU 3 HA LEU 3 1.590 -9.060 1.875 17 HB2 LEU 3 HB2 LEU 3 4.361 -10.279 2.275 18 HB3 LEU 3 HB3 LEU 3 4.199 -8.524 2.237 19 HG LEU 3 HG LEU 3 2.551 -8.569 4.088 20 HD11 LEU 3 HD11 LEU 3 2.168 -10.709 5.376 21 HD12 LEU 3 HD12 LEU 3 3.031 -11.621 4.105 22 HD13 LEU 3 HD13 LEU 3 1.481 -10.811 3.742 23 HD21 LEU 3 HD21 LEU 3 5.112 -10.164 4.732 24 HD22 LEU 3 HD22 LEU 3 4.141 -9.214 5.894 25 HD23 LEU 3 HD23 LEU 3 5.023 -8.388 4.583 26 H GLY 4 H GLY 4 0.901 -9.710 -0.646 27 HA2 GLY 4 HA2 GLY 4 2.684 -8.170 -2.449 28 HA3 GLY 4 HA3 GLY 4 1.208 -9.018 -2.899 29 HA PRO 5 HA PRO 5 -0.723 -5.062 -2.789 30 HB2 PRO 5 HB2 PRO 5 -3.369 -5.530 -2.042 31 HB3 PRO 5 HB3 PRO 5 -2.667 -6.154 -3.568 32 HG2 PRO 5 HG2 PRO 5 -2.861 -7.668 -0.919 33 HG3 PRO 5 HG3 PRO 5 -3.502 -8.201 -2.503 34 HD2 PRO 5 HD2 PRO 5 -1.070 -9.080 -1.688 35 HD3 PRO 5 HD3 PRO 5 -1.224 -8.516 -3.394 36 H LEU 6 H LEU 6 -0.868 -6.891 0.359 37 HA LEU 6 HA LEU 6 -2.007 -4.834 1.916 38 HB2 LEU 6 HB2 LEU 6 0.249 -6.804 2.622 39 HB3 LEU 6 HB3 LEU 6 -0.509 -5.751 3.832 40 HG LEU 6 HG LEU 6 -2.135 -7.792 2.191 41 HD11 LEU 6 HD11 LEU 6 -0.876 -8.135 4.984 42 HD12 LEU 6 HD12 LEU 6 -0.408 -9.018 3.502 43 HD13 LEU 6 HD13 LEU 6 -2.017 -9.276 4.213 44 HD21 LEU 6 HD21 LEU 6 -3.537 -5.980 3.241 45 HD22 LEU 6 HD22 LEU 6 -2.760 -6.291 4.819 46 HD23 LEU 6 HD23 LEU 6 -3.795 -7.532 4.061 47 H LEU 7 H LEU 7 1.451 -5.307 0.897 48 HA LEU 7 HA LEU 7 2.278 -2.922 2.352 49 HB2 LEU 7 HB2 LEU 7 3.622 -4.631 0.191 50 HB3 LEU 7 HB3 LEU 7 4.329 -3.090 0.695 51 HG LEU 7 HG LEU 7 5.294 -5.133 1.837 52 HD11 LEU 7 HD11 LEU 7 5.546 -4.085 4.044 53 HD12 LEU 7 HD12 LEU 7 4.137 -3.029 3.781 54 HD13 LEU 7 HD13 LEU 7 5.603 -2.834 2.778 55 HD21 LEU 7 HD21 LEU 7 3.131 -6.385 2.229 56 HD22 LEU 7 HD22 LEU 7 2.658 -5.171 3.450 57 HD23 LEU 7 HD23 LEU 7 4.089 -6.190 3.719 58 H LYS 8 H LYS 8 1.299 -3.611 -1.108 59 HA LYS 8 HA LYS 8 2.046 -1.076 -2.053 60 HB2 LYS 8 HB2 LYS 8 1.247 -2.953 -3.501 61 HB3 LYS 8 HB3 LYS 8 -0.426 -2.678 -2.934 62 HG2 LYS 8 HG2 LYS 8 -0.487 -0.449 -3.940 63 HG3 LYS 8 HG3 LYS 8 1.251 -0.508 -4.339 64 HD2 LYS 8 HD2 LYS 8 0.900 -2.413 -5.880 65 HD3 LYS 8 HD3 LYS 8 -0.846 -2.448 -5.520 66 HE2 LYS 8 HE2 LYS 8 0.594 -0.005 -6.745 67 HE3 LYS 8 HE3 LYS 8 -0.129 -1.306 -7.724 68 HZ1 LYS 8 HZ1 LYS 8 -1.695 0.439 -5.793 69 HZ2 LYS 8 HZ2 LYS 8 -2.333 -0.853 -6.770 70 HZ3 LYS 8 HZ3 LYS 8 -1.670 0.563 -7.525 71 H ILE 9 H ILE 9 -1.039 -2.068 -0.344 72 HA ILE 9 HA ILE 9 -2.221 0.547 -0.650 73 HB ILE 9 HB ILE 9 -2.702 -1.524 1.564 74 HG12 ILE 9 HG12 ILE 9 -3.367 -2.522 -0.575 75 HG13 ILE 9 HG13 ILE 9 -4.795 -2.110 0.381 76 HG21 ILE 9 HG21 ILE 9 -4.852 -0.239 1.977 77 HG22 ILE 9 HG22 ILE 9 -3.391 0.686 2.377 78 HG23 ILE 9 HG23 ILE 9 -4.268 1.034 0.868 79 HD11 ILE 9 HD11 ILE 9 -5.134 -0.045 -1.083 80 HD12 ILE 9 HD12 ILE 9 -3.732 -0.560 -2.073 81 HD13 ILE 9 HD13 ILE 9 -5.183 -1.581 -1.982 82 H ALA 10 H ALA 10 -0.248 -0.986 2.045 83 HA ALA 10 HA ALA 10 -0.385 1.242 3.737 84 HB1 ALA 10 HB1 ALA 10 0.655 -0.940 4.433 85 HB2 ALA 10 HB2 ALA 10 2.053 -0.613 3.366 86 HB3 ALA 10 HB3 ALA 10 1.739 0.441 4.774 87 H ALA 11 H ALA 11 1.947 0.609 0.992 88 HA ALA 11 HA ALA 11 3.524 2.944 1.571 89 HB1 ALA 11 HB1 ALA 11 3.177 1.433 -1.097 90 HB2 ALA 11 HB2 ALA 11 4.450 2.636 -0.731 91 HB3 ALA 11 HB3 ALA 11 4.404 1.082 0.156 92 H LYS 12 H LYS 12 0.776 2.296 -0.779 93 HA LYS 12 HA LYS 12 0.912 4.877 -1.959 94 HB2 LYS 12 HB2 LYS 12 -1.475 2.976 -1.572 95 HB3 LYS 12 HB3 LYS 12 -1.613 4.490 -2.490 96 HG2 LYS 12 HG2 LYS 12 0.415 2.288 -3.244 97 HG3 LYS 12 HG3 LYS 12 -1.252 2.356 -3.870 98 HD2 LYS 12 HD2 LYS 12 -0.793 4.646 -4.829 99 HD3 LYS 12 HD3 LYS 12 0.901 4.530 -4.281 100 HE2 LYS 12 HE2 LYS 12 1.214 2.470 -5.692 101 HE3 LYS 12 HE3 LYS 12 -0.475 2.610 -6.253 102 HZ1 LYS 12 HZ1 LYS 12 0.034 4.809 -7.239 103 HZ2 LYS 12 HZ2 LYS 12 1.073 3.575 -7.886 104 HZ3 LYS 12 HZ3 LYS 12 1.690 4.686 -6.698 105 H VAL 13 H VAL 13 -1.165 3.708 0.826 106 HA VAL 13 HA VAL 13 -2.328 6.359 1.081 107 HB VAL 13 HB VAL 13 -2.357 3.981 3.028 108 HG11 VAL 13 HG11 VAL 13 -4.245 5.217 4.156 109 HG12 VAL 13 HG12 VAL 13 -2.714 6.112 4.290 110 HG13 VAL 13 HG13 VAL 13 -3.946 6.629 3.102 111 HG21 VAL 13 HG21 VAL 13 -4.522 5.043 1.097 112 HG22 VAL 13 HG22 VAL 13 -3.563 3.564 0.833 113 HG23 VAL 13 HG23 VAL 13 -4.687 3.654 2.208 114 H GLY 14 H GLY 14 0.146 4.471 3.029 115 HA2 GLY 14 HA2 GLY 14 0.579 6.409 4.972 116 HA3 GLY 14 HA3 GLY 14 1.853 5.306 4.395 117 H SER 15 H1 SER 15 2.325 6.087 1.749 118 HA SER 15 HA SER 15 3.927 8.424 2.270 119 HB2 SER 15 HB2 SER 15 4.627 6.707 0.618 120 HB3 SER 15 HB3 SER 15 3.251 7.145 -0.442 121 HG SER 15 HG SER 15 5.224 8.361 -0.998 122 H ASN 16 H ASN 16 0.930 7.901 0.192 123 HA ASN 16 HA ASN 16 0.955 10.543 -0.793 124 HB2 ASN 16 HB2 ASN 16 -0.468 8.797 -1.837 125 HB3 ASN 16 HB3 ASN 16 -1.479 8.697 -0.378 126 HD21 ASN 16 HD21 ASN 16 -0.374 11.061 -2.957 127 HD22 ASN 16 HD22 ASN 16 -1.814 12.007 -2.879 128 H LEU 17 H LEU 17 -1.008 9.157 1.969 129 HA LEU 17 HA LEU 17 -1.793 11.957 2.672 130 HB2 LEU 17 HB2 LEU 17 -3.478 10.231 2.120 131 HB3 LEU 17 HB3 LEU 17 -3.018 9.276 3.542 132 HG LEU 17 HG LEU 17 -4.085 12.178 3.625 133 HD11 LEU 17 HD11 LEU 17 -5.809 10.585 2.755 134 HD12 LEU 17 HD12 LEU 17 -6.243 11.155 4.383 135 HD13 LEU 17 HD13 LEU 17 -5.549 9.522 4.170 136 HD21 LEU 17 HD21 LEU 17 -3.576 10.125 5.880 137 HD22 LEU 17 HD22 LEU 17 -4.520 11.628 6.088 138 HD23 LEU 17 HD23 LEU 17 -2.799 11.727 5.697 139 H LEU 18 H LEU 18 -0.792 8.847 4.413 140 HA LEU 18 HA LEU 18 0.425 8.606 6.342 141 HB2 LEU 18 HB2 LEU 18 1.941 10.477 5.172 142 HB3 LEU 18 HB3 LEU 18 1.275 11.534 6.433 143 HG LEU 18 HG LEU 18 2.807 8.897 6.893 144 HD11 LEU 18 HD11 LEU 18 4.614 10.367 7.789 145 HD12 LEU 18 HD12 LEU 18 3.641 11.818 7.414 146 HD13 LEU 18 HD13 LEU 18 4.256 10.784 6.091 147 HD21 LEU 18 HD21 LEU 18 1.668 10.908 8.945 148 HD22 LEU 18 HD22 LEU 18 2.798 9.579 9.334 149 HD23 LEU 18 HD23 LEU 18 1.168 9.202 8.742 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 3.620 -17.630 2.165 2 HA2 GLY 1 HA2 GLY 1 1.485 -15.636 2.774 3 HA3 GLY 1 HA3 GLY 1 3.185 -15.445 3.301 4 H LEU 2 H LEU 2 2.572 -13.295 1.984 5 HA LEU 2 HA LEU 2 3.944 -13.590 -0.577 6 HB2 LEU 2 HB2 LEU 2 1.363 -14.149 -0.888 7 HB3 LEU 2 HB3 LEU 2 1.128 -12.397 -0.793 8 HG LEU 2 HG LEU 2 2.826 -13.971 -2.838 9 HD11 LEU 2 HD11 LEU 2 0.281 -12.265 -3.204 10 HD12 LEU 2 HD12 LEU 2 0.331 -14.053 -3.179 11 HD13 LEU 2 HD13 LEU 2 1.147 -13.160 -4.487 12 HD21 LEU 2 HD21 LEU 2 4.046 -11.877 -2.530 13 HD22 LEU 2 HD22 LEU 2 2.529 -10.928 -2.502 14 HD23 LEU 2 HD23 LEU 2 3.097 -11.695 -4.014 15 H LEU 3 H LEU 3 1.735 -11.211 1.218 16 HA LEU 3 HA LEU 3 2.160 -9.026 1.820 17 HB2 LEU 3 HB2 LEU 3 5.150 -9.616 1.469 18 HB3 LEU 3 HB3 LEU 3 4.397 -8.382 2.474 19 HG LEU 3 HG LEU 3 4.254 -11.428 2.920 20 HD11 LEU 3 HD11 LEU 3 6.472 -10.385 3.462 21 HD12 LEU 3 HD12 LEU 3 5.643 -10.952 4.935 22 HD13 LEU 3 HD13 LEU 3 5.659 -9.210 4.537 23 HD21 LEU 3 HD21 LEU 3 2.989 -9.138 4.559 24 HD22 LEU 3 HD22 LEU 3 3.149 -10.824 5.133 25 HD23 LEU 3 HD23 LEU 3 2.119 -10.467 3.734 26 H GLY 4 H GLY 4 1.151 -9.299 -0.592 27 HA2 GLY 4 HA2 GLY 4 2.885 -7.674 -2.440 28 HA3 GLY 4 HA3 GLY 4 1.535 -8.683 -2.925 29 HA PRO 5 HA PRO 5 -0.793 -4.932 -2.856 30 HB2 PRO 5 HB2 PRO 5 -3.403 -5.714 -2.245 31 HB3 PRO 5 HB3 PRO 5 -2.580 -6.173 -3.770 32 HG2 PRO 5 HG2 PRO 5 -2.709 -7.845 -1.212 33 HG3 PRO 5 HG3 PRO 5 -3.225 -8.353 -2.849 34 HD2 PRO 5 HD2 PRO 5 -0.744 -9.019 -1.974 35 HD3 PRO 5 HD3 PRO 5 -0.887 -8.364 -3.650 36 H LEU 6 H LEU 6 -0.827 -6.928 0.174 37 HA LEU 6 HA LEU 6 -2.110 -5.018 1.845 38 HB2 LEU 6 HB2 LEU 6 0.317 -6.785 2.564 39 HB3 LEU 6 HB3 LEU 6 -0.742 -5.943 3.723 40 HG LEU 6 HG LEU 6 -1.535 -8.314 1.901 41 HD11 LEU 6 HD11 LEU 6 -0.071 -8.907 3.844 42 HD12 LEU 6 HD12 LEU 6 -1.716 -9.568 4.027 43 HD13 LEU 6 HD13 LEU 6 -1.230 -8.120 4.954 44 HD21 LEU 6 HD21 LEU 6 -3.536 -6.878 2.139 45 HD22 LEU 6 HD22 LEU 6 -3.248 -6.710 3.899 46 HD23 LEU 6 HD23 LEU 6 -3.711 -8.288 3.201 47 H LEU 7 H LEU 7 1.334 -5.312 0.727 48 HA LEU 7 HA LEU 7 2.125 -2.964 2.277 49 HB2 LEU 7 HB2 LEU 7 3.516 -4.598 0.088 50 HB3 LEU 7 HB3 LEU 7 4.187 -3.067 0.691 51 HG LEU 7 HG LEU 7 4.407 -3.872 2.961 52 HD11 LEU 7 HD11 LEU 7 3.834 -6.236 3.632 53 HD12 LEU 7 HD12 LEU 7 3.008 -6.457 2.061 54 HD13 LEU 7 HD13 LEU 7 2.393 -5.277 3.258 55 HD21 LEU 7 HD21 LEU 7 6.080 -5.694 2.634 56 HD22 LEU 7 HD22 LEU 7 6.229 -4.478 1.338 57 HD23 LEU 7 HD23 LEU 7 5.420 -6.038 1.011 58 H LYS 8 H LYS 8 1.030 -3.565 -1.174 59 HA LYS 8 HA LYS 8 1.701 -1.041 -2.146 60 HB2 LYS 8 HB2 LYS 8 0.577 -2.841 -3.528 61 HB3 LYS 8 HB3 LYS 8 -0.970 -2.468 -2.711 62 HG2 LYS 8 HG2 LYS 8 -0.845 -0.097 -3.597 63 HG3 LYS 8 HG3 LYS 8 0.693 -0.511 -4.404 64 HD2 LYS 8 HD2 LYS 8 -0.525 -2.262 -5.771 65 HD3 LYS 8 HD3 LYS 8 -2.038 -1.858 -4.918 66 HE2 LYS 8 HE2 LYS 8 -2.074 -0.783 -7.094 67 HE3 LYS 8 HE3 LYS 8 -1.936 0.487 -5.853 68 HZ1 LYS 8 HZ1 LYS 8 0.444 0.761 -6.390 69 HZ2 LYS 8 HZ2 LYS 8 -0.470 0.835 -7.846 70 HZ3 LYS 8 HZ3 LYS 8 0.397 -0.621 -7.463 71 H ILE 9 H ILE 9 -1.219 -1.993 -0.131 72 HA ILE 9 HA ILE 9 -2.332 0.667 -0.282 73 HB ILE 9 HB ILE 9 -2.761 -1.396 1.949 74 HG12 ILE 9 HG12 ILE 9 -3.523 -2.523 -0.043 75 HG13 ILE 9 HG13 ILE 9 -4.954 -1.897 0.775 76 HG21 ILE 9 HG21 ILE 9 -4.859 -0.104 2.421 77 HG22 ILE 9 HG22 ILE 9 -3.408 0.891 2.656 78 HG23 ILE 9 HG23 ILE 9 -4.397 1.100 1.188 79 HD11 ILE 9 HD11 ILE 9 -5.176 -1.555 -1.642 80 HD12 ILE 9 HD12 ILE 9 -4.989 0.053 -0.900 81 HD13 ILE 9 HD13 ILE 9 -3.612 -0.719 -1.748 82 H ALA 10 H ALA 10 -0.258 -1.003 2.254 83 HA ALA 10 HA ALA 10 -0.275 1.176 4.015 84 HB1 ALA 10 HB1 ALA 10 1.868 0.293 4.943 85 HB2 ALA 10 HB2 ALA 10 0.725 -1.044 4.618 86 HB3 ALA 10 HB3 ALA 10 2.090 -0.741 3.503 87 H ALA 11 H ALA 11 2.053 0.521 1.266 88 HA ALA 11 HA ALA 11 3.613 2.874 1.862 89 HB1 ALA 11 HB1 ALA 11 3.411 1.264 -0.764 90 HB2 ALA 11 HB2 ALA 11 4.664 2.476 -0.368 91 HB3 ALA 11 HB3 ALA 11 4.560 0.957 0.571 92 H LYS 12 H LYS 12 0.964 2.150 -0.571 93 HA LYS 12 HA LYS 12 1.318 4.626 -1.902 94 HB2 LYS 12 HB2 LYS 12 0.015 2.620 -2.825 95 HB3 LYS 12 HB3 LYS 12 -1.296 3.016 -1.690 96 HG2 LYS 12 HG2 LYS 12 -1.948 3.937 -3.800 97 HG3 LYS 12 HG3 LYS 12 -1.410 5.350 -2.857 98 HD2 LYS 12 HD2 LYS 12 0.812 5.283 -4.093 99 HD3 LYS 12 HD3 LYS 12 0.275 3.816 -4.956 100 HE2 LYS 12 HE2 LYS 12 -1.615 5.143 -5.981 101 HE3 LYS 12 HE3 LYS 12 -1.023 6.602 -5.139 102 HZ1 LYS 12 HZ1 LYS 12 1.132 6.387 -6.366 103 HZ2 LYS 12 HZ2 LYS 12 -0.212 6.519 -7.463 104 HZ3 LYS 12 HZ3 LYS 12 0.530 4.973 -7.190 105 H VAL 13 H VAL 13 -1.016 3.636 0.735 106 HA VAL 13 HA VAL 13 -2.175 6.301 0.832 107 HB VAL 13 HB VAL 13 -2.310 3.998 2.865 108 HG11 VAL 13 HG11 VAL 13 -2.694 6.175 4.031 109 HG12 VAL 13 HG12 VAL 13 -3.871 6.658 2.775 110 HG13 VAL 13 HG13 VAL 13 -4.228 5.288 3.866 111 HG21 VAL 13 HG21 VAL 13 -3.428 3.500 0.646 112 HG22 VAL 13 HG22 VAL 13 -4.614 3.671 1.964 113 HG23 VAL 13 HG23 VAL 13 -4.375 5.003 0.799 114 H GLY 14 H GLY 14 0.210 4.443 2.930 115 HA2 GLY 14 HA2 GLY 14 0.601 6.414 4.837 116 HA3 GLY 14 HA3 GLY 14 1.901 5.320 4.299 117 H SER 15 H1 SER 15 2.267 6.126 1.582 118 HA SER 15 HA SER 15 3.881 8.479 2.078 119 HB2 SER 15 HB2 SER 15 4.570 6.784 0.400 120 HB3 SER 15 HB3 SER 15 3.133 7.162 -0.602 121 HG SER 15 HG SER 15 5.037 8.438 -1.259 122 H ASN 16 H ASN 16 0.814 7.870 0.147 123 HA ASN 16 HA ASN 16 0.732 10.506 -0.870 124 HB2 ASN 16 HB2 ASN 16 -0.597 8.688 -1.864 125 HB3 ASN 16 HB3 ASN 16 -1.605 8.567 -0.402 126 HD21 ASN 16 HD21 ASN 16 -3.222 8.873 -2.386 127 HD22 ASN 16 HD22 ASN 16 -3.693 10.511 -2.662 128 H LEU 17 H LEU 17 -1.226 9.104 1.912 129 HA LEU 17 HA LEU 17 -1.959 11.886 2.623 130 HB2 LEU 17 HB2 LEU 17 -3.671 10.111 2.365 131 HB3 LEU 17 HB3 LEU 17 -2.967 9.196 3.709 132 HG LEU 17 HG LEU 17 -4.998 10.404 4.353 133 HD11 LEU 17 HD11 LEU 17 -4.295 11.384 6.452 134 HD12 LEU 17 HD12 LEU 17 -2.661 11.728 5.851 135 HD13 LEU 17 HD13 LEU 17 -3.185 10.033 6.091 136 HD21 LEU 17 HD21 LEU 17 -3.562 13.090 3.875 137 HD22 LEU 17 HD22 LEU 17 -5.226 12.834 4.449 138 HD23 LEU 17 HD23 LEU 17 -4.784 12.377 2.779 139 H LEU 18 H LEU 18 -0.648 8.894 4.351 140 HA LEU 18 HA LEU 18 0.716 8.756 6.188 141 HB2 LEU 18 HB2 LEU 18 2.059 10.585 4.736 142 HB3 LEU 18 HB3 LEU 18 1.560 11.684 6.035 143 HG LEU 18 HG LEU 18 3.149 9.060 6.389 144 HD11 LEU 18 HD11 LEU 18 5.057 10.547 6.978 145 HD12 LEU 18 HD12 LEU 18 4.049 11.994 6.677 146 HD13 LEU 18 HD13 LEU 18 4.477 10.897 5.329 147 HD21 LEU 18 HD21 LEU 18 2.301 11.157 8.493 148 HD22 LEU 18 HD22 LEU 18 3.460 9.830 8.783 149 HD23 LEU 18 HD23 LEU 18 1.762 9.454 8.424 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 4.021 -14.328 4.203 2 HA2 GLY 1 HA2 GLY 1 1.945 -15.734 2.581 3 HA3 GLY 1 HA3 GLY 1 1.684 -14.131 3.334 4 H LEU 2 H LEU 2 1.170 -13.873 0.775 5 HA LEU 2 HA LEU 2 3.469 -13.636 -0.927 6 HB2 LEU 2 HB2 LEU 2 1.192 -13.759 -1.905 7 HB3 LEU 2 HB3 LEU 2 0.731 -12.249 -1.078 8 HG LEU 2 HG LEU 2 2.393 -10.958 -2.445 9 HD11 LEU 2 HD11 LEU 2 2.908 -13.647 -3.865 10 HD12 LEU 2 HD12 LEU 2 4.113 -12.671 -2.972 11 HD13 LEU 2 HD13 LEU 2 3.428 -12.055 -4.485 12 HD21 LEU 2 HD21 LEU 2 1.140 -11.052 -4.592 13 HD22 LEU 2 HD22 LEU 2 0.018 -11.175 -3.213 14 HD23 LEU 2 HD23 LEU 2 0.452 -12.639 -4.142 15 H LEU 3 H LEU 3 1.632 -11.283 1.201 16 HA LEU 3 HA LEU 3 2.172 -9.120 1.842 17 HB2 LEU 3 HB2 LEU 3 5.091 -9.920 1.329 18 HB3 LEU 3 HB3 LEU 3 4.498 -8.637 2.388 19 HG LEU 3 HG LEU 3 4.080 -11.666 2.793 20 HD11 LEU 3 HD11 LEU 3 6.433 -10.898 3.200 21 HD12 LEU 3 HD12 LEU 3 5.645 -11.402 4.716 22 HD13 LEU 3 HD13 LEU 3 5.833 -9.663 4.345 23 HD21 LEU 3 HD21 LEU 3 3.199 -11.014 5.085 24 HD22 LEU 3 HD22 LEU 3 2.124 -10.498 3.773 25 HD23 LEU 3 HD23 LEU 3 3.196 -9.303 4.567 26 H GLY 4 H GLY 4 1.034 -9.199 -0.493 27 HA2 GLY 4 HA2 GLY 4 2.795 -7.643 -2.386 28 HA3 GLY 4 HA3 GLY 4 1.435 -8.650 -2.860 29 HA PRO 5 HA PRO 5 -0.855 -4.886 -2.810 30 HB2 PRO 5 HB2 PRO 5 -3.468 -5.627 -2.133 31 HB3 PRO 5 HB3 PRO 5 -2.681 -6.093 -3.674 32 HG2 PRO 5 HG2 PRO 5 -2.791 -7.770 -1.120 33 HG3 PRO 5 HG3 PRO 5 -3.325 -8.270 -2.754 34 HD2 PRO 5 HD2 PRO 5 -0.845 -8.958 -1.889 35 HD3 PRO 5 HD3 PRO 5 -0.990 -8.307 -3.567 36 H LEU 6 H LEU 6 -0.932 -6.817 0.278 37 HA LEU 6 HA LEU 6 -2.101 -4.787 1.911 38 HB2 LEU 6 HB2 LEU 6 0.038 -6.921 2.519 39 HB3 LEU 6 HB3 LEU 6 -0.425 -5.698 3.722 40 HG LEU 6 HG LEU 6 -2.760 -6.427 3.743 41 HD11 LEU 6 HD11 LEU 6 -1.932 -8.592 1.707 42 HD12 LEU 6 HD12 LEU 6 -3.093 -7.251 1.426 43 HD13 LEU 6 HD13 LEU 6 -3.486 -8.540 2.581 44 HD21 LEU 6 HD21 LEU 6 -2.409 -8.642 4.853 45 HD22 LEU 6 HD22 LEU 6 -1.112 -7.506 5.303 46 HD23 LEU 6 HD23 LEU 6 -0.798 -8.783 4.093 47 H LEU 7 H LEU 7 1.322 -5.353 0.800 48 HA LEU 7 HA LEU 7 2.295 -3.040 2.258 49 HB2 LEU 7 HB2 LEU 7 3.501 -4.732 0.002 50 HB3 LEU 7 HB3 LEU 7 4.277 -3.244 0.586 51 HG LEU 7 HG LEU 7 4.517 -4.086 2.854 52 HD11 LEU 7 HD11 LEU 7 3.911 -6.442 3.491 53 HD12 LEU 7 HD12 LEU 7 3.061 -6.635 1.931 54 HD13 LEU 7 HD13 LEU 7 2.472 -5.467 3.150 55 HD21 LEU 7 HD21 LEU 7 5.437 -6.211 0.817 56 HD22 LEU 7 HD22 LEU 7 6.139 -5.942 2.437 57 HD23 LEU 7 HD23 LEU 7 6.290 -4.685 1.180 58 H LYS 8 H LYS 8 1.096 -3.579 -1.175 59 HA LYS 8 HA LYS 8 1.867 -1.035 -2.070 60 HB2 LYS 8 HB2 LYS 8 0.816 -2.827 -3.550 61 HB3 LYS 8 HB3 LYS 8 -0.769 -2.409 -2.835 62 HG2 LYS 8 HG2 LYS 8 -0.519 -0.039 -3.712 63 HG3 LYS 8 HG3 LYS 8 1.093 -0.450 -4.326 64 HD2 LYS 8 HD2 LYS 8 -0.485 -0.454 -6.183 65 HD3 LYS 8 HD3 LYS 8 0.143 -2.098 -5.919 66 HE2 LYS 8 HE2 LYS 8 -2.267 -2.114 -6.460 67 HE3 LYS 8 HE3 LYS 8 -2.010 -2.777 -4.836 68 HZ1 LYS 8 HZ1 LYS 8 -2.795 -0.681 -3.841 69 HZ2 LYS 8 HZ2 LYS 8 -3.949 -1.210 -5.004 70 HZ3 LYS 8 HZ3 LYS 8 -2.866 0.086 -5.413 71 H ILE 9 H ILE 9 -1.141 -2.030 -0.217 72 HA ILE 9 HA ILE 9 -2.285 0.613 -0.370 73 HB ILE 9 HB ILE 9 -2.690 -1.547 1.775 74 HG12 ILE 9 HG12 ILE 9 -3.489 -2.375 -0.418 75 HG13 ILE 9 HG13 ILE 9 -4.827 -2.081 0.698 76 HG21 ILE 9 HG21 ILE 9 -4.788 -0.251 2.375 77 HG22 ILE 9 HG22 ILE 9 -3.290 0.626 2.746 78 HG23 ILE 9 HG23 ILE 9 -4.237 1.067 1.306 79 HD11 ILE 9 HD11 ILE 9 -5.409 -1.371 -1.591 80 HD12 ILE 9 HD12 ILE 9 -5.376 0.061 -0.537 81 HD13 ILE 9 HD13 ILE 9 -4.026 -0.260 -1.665 82 H ALA 10 H ALA 10 -0.204 -1.037 2.164 83 HA ALA 10 HA ALA 10 -0.264 1.121 3.948 84 HB1 ALA 10 HB1 ALA 10 2.126 -0.758 3.425 85 HB2 ALA 10 HB2 ALA 10 1.891 0.262 4.872 86 HB3 ALA 10 HB3 ALA 10 0.764 -1.085 4.535 87 H ALA 11 H ALA 11 2.083 0.533 1.193 88 HA ALA 11 HA ALA 11 3.585 2.924 1.829 89 HB1 ALA 11 HB1 ALA 11 4.686 2.556 -0.379 90 HB2 ALA 11 HB2 ALA 11 4.606 1.034 0.558 91 HB3 ALA 11 HB3 ALA 11 3.473 1.310 -0.798 92 H LYS 12 H LYS 12 1.015 2.130 -0.657 93 HA LYS 12 HA LYS 12 1.268 4.598 -1.994 94 HB2 LYS 12 HB2 LYS 12 0.030 2.626 -2.932 95 HB3 LYS 12 HB3 LYS 12 -1.244 2.835 -1.707 96 HG2 LYS 12 HG2 LYS 12 -1.988 3.733 -3.849 97 HG3 LYS 12 HG3 LYS 12 -1.825 5.074 -2.686 98 HD2 LYS 12 HD2 LYS 12 0.253 5.844 -3.764 99 HD3 LYS 12 HD3 LYS 12 0.391 4.331 -4.701 100 HE2 LYS 12 HE2 LYS 12 -0.347 6.173 -6.146 101 HE3 LYS 12 HE3 LYS 12 -1.615 4.927 -6.039 102 HZ1 LYS 12 HZ1 LYS 12 -2.490 7.251 -5.895 103 HZ2 LYS 12 HZ2 LYS 12 -1.589 7.506 -4.427 104 HZ3 LYS 12 HZ3 LYS 12 -2.889 6.335 -4.488 105 H VAL 13 H VAL 13 -1.016 3.591 0.683 106 HA VAL 13 HA VAL 13 -2.205 6.248 0.767 107 HB VAL 13 HB VAL 13 -2.341 3.943 2.793 108 HG11 VAL 13 HG11 VAL 13 -3.907 6.602 2.703 109 HG12 VAL 13 HG12 VAL 13 -4.272 5.228 3.785 110 HG13 VAL 13 HG13 VAL 13 -2.740 6.112 3.964 111 HG21 VAL 13 HG21 VAL 13 -4.394 4.951 0.715 112 HG22 VAL 13 HG22 VAL 13 -3.442 3.451 0.562 113 HG23 VAL 13 HG23 VAL 13 -4.639 3.615 1.872 114 H GLY 14 H GLY 14 0.171 4.413 2.902 115 HA2 GLY 14 HA2 GLY 14 0.526 6.389 4.804 116 HA3 GLY 14 HA3 GLY 14 1.848 5.316 4.278 117 H SER 15 H1 SER 15 2.386 6.048 1.659 118 HA SER 15 HA SER 15 3.909 8.420 2.078 119 HB2 SER 15 HB2 SER 15 4.544 6.752 0.323 120 HB3 SER 15 HB3 SER 15 3.060 7.135 -0.591 121 HG SER 15 HG SER 15 5.144 9.039 -0.068 122 H ASN 16 H ASN 16 0.757 7.858 0.269 123 HA ASN 16 HA ASN 16 0.666 10.521 -0.708 124 HB2 ASN 16 HB2 ASN 16 -0.693 8.754 -1.719 125 HB3 ASN 16 HB3 ASN 16 -1.650 8.565 -0.233 126 HD21 ASN 16 HD21 ASN 16 -3.353 8.948 -2.118 127 HD22 ASN 16 HD22 ASN 16 -3.834 10.593 -2.311 128 H LEU 17 H LEU 17 -1.305 9.099 2.067 129 HA LEU 17 HA LEU 17 -1.930 11.884 2.846 130 HB2 LEU 17 HB2 LEU 17 -3.706 10.196 2.600 131 HB3 LEU 17 HB3 LEU 17 -2.999 9.197 3.882 132 HG LEU 17 HG LEU 17 -4.977 10.472 4.612 133 HD11 LEU 17 HD11 LEU 17 -4.202 11.262 6.759 134 HD12 LEU 17 HD12 LEU 17 -2.557 11.554 6.166 135 HD13 LEU 17 HD13 LEU 17 -3.174 9.878 6.297 136 HD21 LEU 17 HD21 LEU 17 -5.050 12.900 4.868 137 HD22 LEU 17 HD22 LEU 17 -4.657 12.532 3.166 138 HD23 LEU 17 HD23 LEU 17 -3.379 13.086 4.289 139 H LEU 18 H LEU 18 -0.658 8.836 4.493 140 HA LEU 18 HA LEU 18 0.765 8.628 6.281 141 HB2 LEU 18 HB2 LEU 18 2.097 10.505 4.919 142 HB3 LEU 18 HB3 LEU 18 1.565 11.572 6.233 143 HG LEU 18 HG LEU 18 3.192 8.967 6.546 144 HD11 LEU 18 HD11 LEU 18 4.499 10.863 5.554 145 HD12 LEU 18 HD12 LEU 18 5.065 10.479 7.201 146 HD13 LEU 18 HD13 LEU 18 4.028 11.910 6.925 147 HD21 LEU 18 HD21 LEU 18 3.463 9.694 8.964 148 HD22 LEU 18 HD22 LEU 18 1.785 9.268 8.576 149 HD23 LEU 18 HD23 LEU 18 2.262 10.989 8.689 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 4.156 -16.541 1.641 2 HA2 GLY 1 HA2 GLY 1 1.760 -15.850 1.694 3 HA3 GLY 1 HA3 GLY 1 2.285 -14.482 2.721 4 H LEU 2 H LEU 2 0.875 -13.836 0.413 5 HA LEU 2 HA LEU 2 2.720 -13.352 -1.811 6 HB2 LEU 2 HB2 LEU 2 -0.071 -12.218 -1.182 7 HB3 LEU 2 HB3 LEU 2 0.930 -11.653 -2.538 8 HG LEU 2 HG LEU 2 0.986 -13.899 -3.556 9 HD11 LEU 2 HD11 LEU 2 -0.543 -15.727 -2.710 10 HD12 LEU 2 HD12 LEU 2 -0.856 -14.766 -1.238 11 HD13 LEU 2 HD13 LEU 2 0.787 -15.397 -1.582 12 HD21 LEU 2 HD21 LEU 2 -1.407 -13.971 -4.281 13 HD22 LEU 2 HD22 LEU 2 -0.831 -12.287 -4.180 14 HD23 LEU 2 HD23 LEU 2 -1.874 -12.952 -2.889 15 H LEU 3 H LEU 3 1.316 -11.393 0.961 16 HA LEU 3 HA LEU 3 1.945 -9.319 1.743 17 HB2 LEU 3 HB2 LEU 3 4.317 -10.877 1.493 18 HB3 LEU 3 HB3 LEU 3 4.722 -9.421 0.585 19 HG LEU 3 HG LEU 3 3.854 -8.141 2.763 20 HD11 LEU 3 HD11 LEU 3 4.000 -9.408 4.877 21 HD12 LEU 3 HD12 LEU 3 4.423 -10.906 4.002 22 HD13 LEU 3 HD13 LEU 3 2.794 -10.206 3.832 23 HD21 LEU 3 HD21 LEU 3 6.262 -8.211 2.071 24 HD22 LEU 3 HD22 LEU 3 6.449 -9.808 2.848 25 HD23 LEU 3 HD23 LEU 3 6.110 -8.360 3.841 26 H GLY 4 H GLY 4 0.545 -9.518 -0.743 27 HA2 GLY 4 HA2 GLY 4 1.954 -7.767 -2.647 28 HA3 GLY 4 HA3 GLY 4 0.382 -8.518 -2.880 29 HA PRO 5 HA PRO 5 -1.368 -4.556 -2.047 30 HB2 PRO 5 HB2 PRO 5 -3.763 -5.061 -0.704 31 HB3 PRO 5 HB3 PRO 5 -3.485 -5.558 -2.403 32 HG2 PRO 5 HG2 PRO 5 -3.032 -7.284 0.082 33 HG3 PRO 5 HG3 PRO 5 -4.088 -7.681 -1.312 34 HD2 PRO 5 HD2 PRO 5 -1.565 -8.658 -1.235 35 HD3 PRO 5 HD3 PRO 5 -2.117 -7.930 -2.793 36 H LEU 6 H LEU 6 -0.507 -6.599 0.789 37 HA LEU 6 HA LEU 6 -1.063 -4.649 2.801 38 HB2 LEU 6 HB2 LEU 6 1.154 -6.772 2.574 39 HB3 LEU 6 HB3 LEU 6 1.121 -5.589 3.898 40 HG LEU 6 HG LEU 6 -1.084 -6.336 4.672 41 HD11 LEU 6 HD11 LEU 6 -2.160 -8.421 3.747 42 HD12 LEU 6 HD12 LEU 6 -0.981 -8.430 2.407 43 HD13 LEU 6 HD13 LEU 6 -2.168 -7.093 2.568 44 HD21 LEU 6 HD21 LEU 6 0.988 -7.457 5.558 45 HD22 LEU 6 HD22 LEU 6 0.849 -8.699 4.279 46 HD23 LEU 6 HD23 LEU 6 -0.405 -8.572 5.545 47 H LEU 7 H LEU 7 1.863 -5.153 0.647 48 HA LEU 7 HA LEU 7 3.073 -2.688 1.660 49 HB2 LEU 7 HB2 LEU 7 3.744 -4.521 -0.708 50 HB3 LEU 7 HB3 LEU 7 4.529 -2.942 -0.495 51 HG LEU 7 HG LEU 7 5.469 -3.537 1.665 52 HD11 LEU 7 HD11 LEU 7 5.243 -5.859 2.620 53 HD12 LEU 7 HD12 LEU 7 4.020 -6.224 1.368 54 HD13 LEU 7 HD13 LEU 7 3.690 -4.998 2.628 55 HD21 LEU 7 HD21 LEU 7 7.044 -5.336 0.935 56 HD22 LEU 7 HD22 LEU 7 6.728 -4.210 -0.411 57 HD23 LEU 7 HD23 LEU 7 5.929 -5.808 -0.378 58 H LYS 8 H LYS 8 1.351 -3.598 -1.476 59 HA LYS 8 HA LYS 8 1.931 -1.131 -2.626 60 HB2 LYS 8 HB2 LYS 8 0.734 -3.209 -3.767 61 HB3 LYS 8 HB3 LYS 8 -0.770 -2.483 -3.157 62 HG2 LYS 8 HG2 LYS 8 -0.597 -1.633 -5.376 63 HG3 LYS 8 HG3 LYS 8 0.001 -0.296 -4.372 64 HD2 LYS 8 HD2 LYS 8 2.426 -1.206 -4.902 65 HD3 LYS 8 HD3 LYS 8 1.631 -2.389 -5.960 66 HE2 LYS 8 HE2 LYS 8 2.399 -0.629 -7.391 67 HE3 LYS 8 HE3 LYS 8 0.638 -0.393 -7.271 68 HZ1 LYS 8 HZ1 LYS 8 1.062 1.407 -5.585 69 HZ2 LYS 8 HZ2 LYS 8 1.881 1.731 -7.073 70 HZ3 LYS 8 HZ3 LYS 8 2.775 1.126 -5.711 71 H ILE 9 H ILE 9 -0.936 -2.027 -0.582 72 HA ILE 9 HA ILE 9 -2.096 0.635 -0.932 73 HB ILE 9 HB ILE 9 -2.806 -1.536 1.107 74 HG12 ILE 9 HG12 ILE 9 -3.199 -2.443 -1.156 75 HG13 ILE 9 HG13 ILE 9 -4.730 -2.096 -0.342 76 HG21 ILE 9 HG21 ILE 9 -4.970 -0.286 1.352 77 HG22 ILE 9 HG22 ILE 9 -3.567 0.668 1.890 78 HG23 ILE 9 HG23 ILE 9 -4.321 1.013 0.314 79 HD11 ILE 9 HD11 ILE 9 -4.845 -1.464 -2.717 80 HD12 ILE 9 HD12 ILE 9 -4.953 0.021 -1.746 81 HD13 ILE 9 HD13 ILE 9 -3.425 -0.405 -2.577 82 H ALA 10 H ALA 10 -0.429 -1.096 1.885 83 HA ALA 10 HA ALA 10 -0.712 1.118 3.594 84 HB1 ALA 10 HB1 ALA 10 1.198 0.229 4.917 85 HB2 ALA 10 HB2 ALA 10 0.114 -1.102 4.420 86 HB3 ALA 10 HB3 ALA 10 1.670 -0.843 3.571 87 H ALA 11 H ALA 11 2.025 0.337 1.290 88 HA ALA 11 HA ALA 11 3.585 2.585 2.107 89 HB1 ALA 11 HB1 ALA 11 4.862 2.262 -0.004 90 HB2 ALA 11 HB2 ALA 11 4.567 0.690 0.797 91 HB3 ALA 11 HB3 ALA 11 3.599 1.164 -0.632 92 H LYS 12 H LYS 12 1.229 2.160 -0.698 93 HA LYS 12 HA LYS 12 1.865 4.786 -1.673 94 HB2 LYS 12 HB2 LYS 12 0.967 2.989 -3.122 95 HB3 LYS 12 HB3 LYS 12 -0.613 3.068 -2.291 96 HG2 LYS 12 HG2 LYS 12 -0.953 5.409 -3.055 97 HG3 LYS 12 HG3 LYS 12 0.696 5.462 -3.743 98 HD2 LYS 12 HD2 LYS 12 0.112 3.662 -5.368 99 HD3 LYS 12 HD3 LYS 12 -1.543 3.565 -4.698 100 HE2 LYS 12 HE2 LYS 12 -1.964 5.931 -5.413 101 HE3 LYS 12 HE3 LYS 12 -0.287 6.065 -6.013 102 HZ1 LYS 12 HZ1 LYS 12 -0.736 4.280 -7.656 103 HZ2 LYS 12 HZ2 LYS 12 -1.855 5.594 -7.849 104 HZ3 LYS 12 HZ3 LYS 12 -2.373 4.125 -7.071 105 H VAL 13 H VAL 13 -1.015 3.516 0.222 106 HA VAL 13 HA VAL 13 -2.215 6.126 0.367 107 HB VAL 13 HB VAL 13 -2.579 3.701 2.220 108 HG11 VAL 13 HG11 VAL 13 -4.147 6.357 2.135 109 HG12 VAL 13 HG12 VAL 13 -4.643 4.901 3.043 110 HG13 VAL 13 HG13 VAL 13 -3.156 5.760 3.496 111 HG21 VAL 13 HG21 VAL 13 -4.748 3.442 0.999 112 HG22 VAL 13 HG22 VAL 13 -4.370 4.859 -0.019 113 HG23 VAL 13 HG23 VAL 13 -3.394 3.372 -0.162 114 H GLY 14 H GLY 14 -0.057 4.247 2.670 115 HA2 GLY 14 HA2 GLY 14 -0.046 6.110 4.736 116 HA3 GLY 14 HA3 GLY 14 1.362 5.102 4.334 117 H SER 15 H1 SER 15 2.265 5.975 1.881 118 HA SER 15 HA SER 15 3.660 8.337 2.657 119 HB2 SER 15 HB2 SER 15 4.560 6.739 0.982 120 HB3 SER 15 HB3 SER 15 3.293 7.192 -0.188 121 HG SER 15 HG SER 15 4.266 9.379 -0.109 122 H ASN 16 H ASN 16 0.892 7.860 0.307 123 HA ASN 16 HA ASN 16 0.815 10.532 -0.549 124 HB2 ASN 16 HB2 ASN 16 -0.512 8.730 -1.668 125 HB3 ASN 16 HB3 ASN 16 -1.530 8.555 -0.218 126 HD21 ASN 16 HD21 ASN 16 -0.489 11.058 -2.701 127 HD22 ASN 16 HD22 ASN 16 -1.989 11.908 -2.655 128 H LEU 17 H LEU 17 -0.896 8.977 2.264 129 HA LEU 17 HA LEU 17 -1.924 11.703 3.032 130 HB2 LEU 17 HB2 LEU 17 -3.526 10.087 2.075 131 HB3 LEU 17 HB3 LEU 17 -3.221 8.936 3.388 132 HG LEU 17 HG LEU 17 -4.348 11.791 3.743 133 HD11 LEU 17 HD11 LEU 17 -6.543 10.651 4.139 134 HD12 LEU 17 HD12 LEU 17 -5.788 9.064 3.808 135 HD13 LEU 17 HD13 LEU 17 -5.930 10.285 2.509 136 HD21 LEU 17 HD21 LEU 17 -5.019 10.915 6.061 137 HD22 LEU 17 HD22 LEU 17 -3.275 11.118 5.868 138 HD23 LEU 17 HD23 LEU 17 -3.996 9.482 5.765 139 H LEU 18 H LEU 18 -1.229 8.417 4.592 140 HA LEU 18 HA LEU 18 -0.172 7.970 6.576 141 HB2 LEU 18 HB2 LEU 18 1.477 9.896 5.742 142 HB3 LEU 18 HB3 LEU 18 0.707 10.854 7.024 143 HG LEU 18 HG LEU 18 2.156 8.155 7.379 144 HD11 LEU 18 HD11 LEU 18 3.687 10.081 6.908 145 HD12 LEU 18 HD12 LEU 18 3.877 9.499 8.583 146 HD13 LEU 18 HD13 LEU 18 2.962 10.999 8.259 147 HD21 LEU 18 HD21 LEU 18 1.910 8.605 9.867 148 HD22 LEU 18 HD22 LEU 18 0.344 8.310 9.085 149 HD23 LEU 18 HD23 LEU 18 0.836 9.983 9.490 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -1.862 -14.248 -0.988 2 HA2 GLY 1 HA2 GLY 1 0.770 -14.678 -2.321 3 HA3 GLY 1 HA3 GLY 1 0.047 -13.055 -2.107 4 H LEU 2 H LEU 2 2.591 -13.356 -1.061 5 HA LEU 2 HA LEU 2 2.376 -14.216 1.762 6 HB2 LEU 2 HB2 LEU 2 4.679 -12.902 0.216 7 HB3 LEU 2 HB3 LEU 2 4.662 -13.154 1.978 8 HG LEU 2 HG LEU 2 4.476 -15.596 1.710 9 HD11 LEU 2 HD11 LEU 2 4.544 -15.057 -1.327 10 HD12 LEU 2 HD12 LEU 2 3.206 -15.821 -0.412 11 HD13 LEU 2 HD13 LEU 2 4.759 -16.662 -0.577 12 HD21 LEU 2 HD21 LEU 2 6.744 -14.527 1.783 13 HD22 LEU 2 HD22 LEU 2 6.750 -14.402 -0.001 14 HD23 LEU 2 HD23 LEU 2 6.759 -16.007 0.786 15 H LEU 3 H LEU 3 3.183 -11.028 0.087 16 HA LEU 3 HA LEU 3 1.168 -9.670 1.706 17 HB2 LEU 3 HB2 LEU 3 2.954 -8.235 2.924 18 HB3 LEU 3 HB3 LEU 3 2.722 -9.899 3.483 19 HG LEU 3 HG LEU 3 4.748 -10.648 2.133 20 HD11 LEU 3 HD11 LEU 3 4.898 -8.791 0.464 21 HD12 LEU 3 HD12 LEU 3 6.394 -8.892 1.416 22 HD13 LEU 3 HD13 LEU 3 5.192 -7.633 1.798 23 HD21 LEU 3 HD21 LEU 3 4.902 -10.243 4.577 24 HD22 LEU 3 HD22 LEU 3 5.228 -8.507 4.283 25 HD23 LEU 3 HD23 LEU 3 6.407 -9.749 3.759 26 H GLY 4 H GLY 4 1.356 -9.911 -1.064 27 HA2 GLY 4 HA2 GLY 4 2.867 -7.776 -2.196 28 HA3 GLY 4 HA3 GLY 4 1.536 -8.611 -2.998 29 HA PRO 5 HA PRO 5 -0.848 -5.016 -2.811 30 HB2 PRO 5 HB2 PRO 5 -3.432 -5.726 -2.010 31 HB3 PRO 5 HB3 PRO 5 -2.697 -6.282 -3.546 32 HG2 PRO 5 HG2 PRO 5 -2.719 -7.806 -0.897 33 HG3 PRO 5 HG3 PRO 5 -3.306 -8.401 -2.482 34 HD2 PRO 5 HD2 PRO 5 -0.792 -9.029 -1.655 35 HD3 PRO 5 HD3 PRO 5 -1.001 -8.496 -3.368 36 H LEU 6 H LEU 6 -0.809 -6.795 0.378 37 HA LEU 6 HA LEU 6 -1.868 -4.653 1.908 38 HB2 LEU 6 HB2 LEU 6 0.329 -6.699 2.569 39 HB3 LEU 6 HB3 LEU 6 -0.264 -5.535 3.775 40 HG LEU 6 HG LEU 6 -2.174 -7.484 2.349 41 HD11 LEU 6 HD11 LEU 6 -2.010 -8.937 4.392 42 HD12 LEU 6 HD12 LEU 6 -0.710 -7.889 5.031 43 HD13 LEU 6 HD13 LEU 6 -0.451 -8.836 3.540 44 HD21 LEU 6 HD21 LEU 6 -3.635 -7.042 4.352 45 HD22 LEU 6 HD22 LEU 6 -3.311 -5.529 3.487 46 HD23 LEU 6 HD23 LEU 6 -2.425 -5.897 4.993 47 H LEU 7 H LEU 7 1.567 -5.246 0.734 48 HA LEU 7 HA LEU 7 2.522 -2.832 1.947 49 HB2 LEU 7 HB2 LEU 7 3.469 -4.202 -0.637 50 HB3 LEU 7 HB3 LEU 7 4.289 -2.805 0.102 51 HG LEU 7 HG LEU 7 3.964 -5.536 1.470 52 HD11 LEU 7 HD11 LEU 7 5.492 -5.672 -0.506 53 HD12 LEU 7 HD12 LEU 7 6.472 -5.740 0.981 54 HD13 LEU 7 HD13 LEU 7 6.381 -4.225 0.055 55 HD21 LEU 7 HD21 LEU 7 4.186 -3.800 3.214 56 HD22 LEU 7 HD22 LEU 7 5.533 -3.027 2.325 57 HD23 LEU 7 HD23 LEU 7 5.733 -4.642 3.060 58 H LYS 8 H LYS 8 0.993 -3.432 -1.351 59 HA LYS 8 HA LYS 8 1.492 -0.851 -2.289 60 HB2 LYS 8 HB2 LYS 8 0.422 -2.605 -3.683 61 HB3 LYS 8 HB3 LYS 8 -1.108 -2.431 -2.778 62 HG2 LYS 8 HG2 LYS 8 -1.249 -0.010 -3.455 63 HG3 LYS 8 HG3 LYS 8 0.250 -0.182 -4.403 64 HD2 LYS 8 HD2 LYS 8 -2.410 -1.680 -4.902 65 HD3 LYS 8 HD3 LYS 8 -1.828 -0.253 -5.794 66 HE2 LYS 8 HE2 LYS 8 0.219 -1.598 -6.520 67 HE3 LYS 8 HE3 LYS 8 -0.538 -3.049 -5.805 68 HZ1 LYS 8 HZ1 LYS 8 -1.011 -2.928 -8.195 69 HZ2 LYS 8 HZ2 LYS 8 -1.714 -1.351 -8.031 70 HZ3 LYS 8 HZ3 LYS 8 -2.489 -2.731 -7.294 71 H ILE 9 H ILE 9 -1.264 -1.971 -0.142 72 HA ILE 9 HA ILE 9 -2.475 0.646 -0.188 73 HB ILE 9 HB ILE 9 -2.769 -1.456 2.025 74 HG12 ILE 9 HG12 ILE 9 -3.521 -2.630 0.071 75 HG13 ILE 9 HG13 ILE 9 -4.970 -2.026 0.873 76 HG21 ILE 9 HG21 ILE 9 -4.540 0.953 1.283 77 HG22 ILE 9 HG22 ILE 9 -4.898 -0.255 2.548 78 HG23 ILE 9 HG23 ILE 9 -3.496 0.822 2.723 79 HD11 ILE 9 HD11 ILE 9 -3.648 -0.852 -1.662 80 HD12 ILE 9 HD12 ILE 9 -5.191 -1.728 -1.554 81 HD13 ILE 9 HD13 ILE 9 -5.049 -0.105 -0.831 82 H ALA 10 H ALA 10 -0.317 -1.013 2.288 83 HA ALA 10 HA ALA 10 -0.342 1.182 4.046 84 HB1 ALA 10 HB1 ALA 10 0.594 -1.035 4.698 85 HB2 ALA 10 HB2 ALA 10 1.966 -0.814 3.575 86 HB3 ALA 10 HB3 ALA 10 1.791 0.259 4.993 87 H ALA 11 H ALA 11 2.055 0.443 1.384 88 HA ALA 11 HA ALA 11 3.642 2.758 1.967 89 HB1 ALA 11 HB1 ALA 11 4.716 2.334 -0.247 90 HB2 ALA 11 HB2 ALA 11 4.550 0.815 0.686 91 HB3 ALA 11 HB3 ALA 11 3.433 1.161 -0.668 92 H LYS 12 H LYS 12 1.044 2.133 -0.570 93 HA LYS 12 HA LYS 12 1.504 4.690 -1.762 94 HB2 LYS 12 HB2 LYS 12 0.406 2.769 -2.906 95 HB3 LYS 12 HB3 LYS 12 -1.081 3.015 -1.956 96 HG2 LYS 12 HG2 LYS 12 0.167 5.203 -3.745 97 HG3 LYS 12 HG3 LYS 12 -0.973 3.978 -4.356 98 HD2 LYS 12 HD2 LYS 12 -2.777 4.756 -2.900 99 HD3 LYS 12 HD3 LYS 12 -1.707 5.917 -2.084 100 HE2 LYS 12 HE2 LYS 12 -3.135 7.058 -3.718 101 HE3 LYS 12 HE3 LYS 12 -1.414 7.235 -4.138 102 HZ1 LYS 12 HZ1 LYS 12 -3.281 5.201 -5.415 103 HZ2 LYS 12 HZ2 LYS 12 -1.661 5.612 -5.944 104 HZ3 LYS 12 HZ3 LYS 12 -2.928 6.762 -6.085 105 H VAL 13 H VAL 13 -1.145 3.536 0.516 106 HA VAL 13 HA VAL 13 -2.278 6.159 0.690 107 HB VAL 13 HB VAL 13 -2.448 3.863 2.724 108 HG11 VAL 13 HG11 VAL 13 -2.905 6.018 3.886 109 HG12 VAL 13 HG12 VAL 13 -4.031 6.506 2.588 110 HG13 VAL 13 HG13 VAL 13 -4.424 5.129 3.655 111 HG21 VAL 13 HG21 VAL 13 -3.509 3.334 0.479 112 HG22 VAL 13 HG22 VAL 13 -4.738 3.531 1.753 113 HG23 VAL 13 HG23 VAL 13 -4.448 4.848 0.581 114 H GLY 14 H GLY 14 0.160 4.398 2.799 115 HA2 GLY 14 HA2 GLY 14 0.388 6.379 4.755 116 HA3 GLY 14 HA3 GLY 14 1.738 5.333 4.261 117 H SER 15 H1 SER 15 2.512 6.029 1.772 118 HA SER 15 HA SER 15 3.894 8.459 2.240 119 HB2 SER 15 HB2 SER 15 4.702 6.776 0.604 120 HB3 SER 15 HB3 SER 15 3.305 7.108 -0.466 121 HG SER 15 HG SER 15 5.205 8.419 -1.057 122 H ASN 16 H ASN 16 0.949 7.804 0.176 123 HA ASN 16 HA ASN 16 0.799 10.380 -0.923 124 HB2 ASN 16 HB2 ASN 16 -0.591 8.501 -1.750 125 HB3 ASN 16 HB3 ASN 16 -1.510 8.467 -0.221 126 HD21 ASN 16 HD21 ASN 16 -3.418 8.717 -1.786 127 HD22 ASN 16 HD22 ASN 16 -3.820 10.318 -2.285 128 H LEU 17 H LEU 17 -0.851 9.084 2.070 129 HA LEU 17 HA LEU 17 -1.720 11.883 2.665 130 HB2 LEU 17 HB2 LEU 17 -3.512 10.222 2.303 131 HB3 LEU 17 HB3 LEU 17 -2.820 9.159 3.545 132 HG LEU 17 HG LEU 17 -3.247 10.919 5.305 133 HD11 LEU 17 HD11 LEU 17 -3.289 13.021 3.969 134 HD12 LEU 17 HD12 LEU 17 -4.874 12.796 4.730 135 HD13 LEU 17 HD13 LEU 17 -4.665 12.410 2.999 136 HD21 LEU 17 HD21 LEU 17 -4.875 9.063 4.904 137 HD22 LEU 17 HD22 LEU 17 -5.716 10.050 3.675 138 HD23 LEU 17 HD23 LEU 17 -5.724 10.551 5.389 139 H LEU 18 H LEU 18 -0.584 8.856 4.456 140 HA LEU 18 HA LEU 18 0.557 8.688 6.433 141 HB2 LEU 18 HB2 LEU 18 2.118 10.360 5.071 142 HB3 LEU 18 HB3 LEU 18 1.547 11.575 6.230 143 HG LEU 18 HG LEU 18 2.969 8.923 6.910 144 HD11 LEU 18 HD11 LEU 18 3.966 11.836 7.102 145 HD12 LEU 18 HD12 LEU 18 4.474 10.639 5.875 146 HD13 LEU 18 HD13 LEU 18 4.878 10.379 7.591 147 HD21 LEU 18 HD21 LEU 18 1.426 9.489 8.777 148 HD22 LEU 18 HD22 LEU 18 2.006 11.183 8.784 149 HD23 LEU 18 HD23 LEU 18 3.091 9.850 9.271 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 2.741 -14.103 4.953 2 HA2 GLY 1 HA2 GLY 1 0.693 -15.033 2.992 3 HA3 GLY 1 HA3 GLY 1 0.763 -13.353 3.607 4 H LEU 2 H LEU 2 0.834 -13.494 0.892 5 HA LEU 2 HA LEU 2 3.534 -13.840 -0.090 6 HB2 LEU 2 HB2 LEU 2 1.399 -13.976 -1.530 7 HB3 LEU 2 HB3 LEU 2 1.259 -12.210 -1.346 8 HG LEU 2 HG LEU 2 3.586 -12.019 -2.477 9 HD11 LEU 2 HD11 LEU 2 4.460 -14.362 -2.138 10 HD12 LEU 2 HD12 LEU 2 4.336 -13.997 -3.866 11 HD13 LEU 2 HD13 LEU 2 3.092 -15.011 -3.085 12 HD21 LEU 2 HD21 LEU 2 1.487 -11.582 -3.732 13 HD22 LEU 2 HD22 LEU 2 1.328 -13.324 -4.107 14 HD23 LEU 2 HD23 LEU 2 2.687 -12.378 -4.779 15 H LEU 3 H LEU 3 1.638 -11.090 1.324 16 HA LEU 3 HA LEU 3 2.279 -8.918 1.804 17 HB2 LEU 3 HB2 LEU 3 5.082 -10.163 1.743 18 HB3 LEU 3 HB3 LEU 3 4.824 -8.419 1.851 19 HG LEU 3 HG LEU 3 3.467 -8.685 3.921 20 HD11 LEU 3 HD11 LEU 3 3.456 -10.916 5.121 21 HD12 LEU 3 HD12 LEU 3 4.173 -11.677 3.672 22 HD13 LEU 3 HD13 LEU 3 2.527 -10.976 3.609 23 HD21 LEU 3 HD21 LEU 3 5.938 -8.295 4.068 24 HD22 LEU 3 HD22 LEU 3 6.223 -10.059 4.063 25 HD23 LEU 3 HD23 LEU 3 5.358 -9.294 5.426 26 H GLY 4 H GLY 4 1.043 -9.050 -0.323 27 HA2 GLY 4 HA2 GLY 4 2.741 -7.798 -2.482 28 HA3 GLY 4 HA3 GLY 4 1.392 -8.884 -2.801 29 HA PRO 5 HA PRO 5 -1.040 -5.163 -2.917 30 HB2 PRO 5 HB2 PRO 5 -3.549 -5.908 -1.914 31 HB3 PRO 5 HB3 PRO 5 -2.910 -6.445 -3.499 32 HG2 PRO 5 HG2 PRO 5 -2.723 -7.973 -0.861 33 HG3 PRO 5 HG3 PRO 5 -3.383 -8.578 -2.409 34 HD2 PRO 5 HD2 PRO 5 -0.823 -9.158 -1.742 35 HD3 PRO 5 HD3 PRO 5 -1.128 -8.592 -3.426 36 H LEU 6 H LEU 6 -0.844 -6.837 0.310 37 HA LEU 6 HA LEU 6 -1.954 -4.711 1.844 38 HB2 LEU 6 HB2 LEU 6 0.248 -6.765 2.495 39 HB3 LEU 6 HB3 LEU 6 -0.194 -5.508 3.660 40 HG LEU 6 HG LEU 6 -1.256 -7.672 4.164 41 HD11 LEU 6 HD11 LEU 6 -3.386 -5.541 3.506 42 HD12 LEU 6 HD12 LEU 6 -2.315 -5.519 4.935 43 HD13 LEU 6 HD13 LEU 6 -3.489 -6.841 4.714 44 HD21 LEU 6 HD21 LEU 6 -1.665 -8.536 1.847 45 HD22 LEU 6 HD22 LEU 6 -2.942 -7.293 1.618 46 HD23 LEU 6 HD23 LEU 6 -3.143 -8.572 2.841 47 H LEU 7 H LEU 7 1.428 -5.266 0.630 48 HA LEU 7 HA LEU 7 2.453 -2.930 1.986 49 HB2 LEU 7 HB2 LEU 7 3.484 -4.564 -0.397 50 HB3 LEU 7 HB3 LEU 7 4.272 -3.057 0.112 51 HG LEU 7 HG LEU 7 4.779 -3.892 2.333 52 HD11 LEU 7 HD11 LEU 7 3.299 -6.483 1.580 53 HD12 LEU 7 HD12 LEU 7 2.801 -5.318 2.843 54 HD13 LEU 7 HD13 LEU 7 4.293 -6.249 3.046 55 HD21 LEU 7 HD21 LEU 7 6.384 -5.714 1.744 56 HD22 LEU 7 HD22 LEU 7 6.367 -4.466 0.471 57 HD23 LEU 7 HD23 LEU 7 5.509 -6.014 0.215 58 H LYS 8 H LYS 8 1.035 -3.467 -1.341 59 HA LYS 8 HA LYS 8 1.561 -0.854 -2.229 60 HB2 LYS 8 HB2 LYS 8 -0.147 -2.985 -3.241 61 HB3 LYS 8 HB3 LYS 8 -1.202 -1.587 -3.041 62 HG2 LYS 8 HG2 LYS 8 -0.357 -1.520 -5.285 63 HG3 LYS 8 HG3 LYS 8 0.508 -0.229 -4.413 64 HD2 LYS 8 HD2 LYS 8 2.506 -1.817 -4.161 65 HD3 LYS 8 HD3 LYS 8 1.584 -3.073 -5.024 66 HE2 LYS 8 HE2 LYS 8 1.473 -1.598 -7.055 67 HE3 LYS 8 HE3 LYS 8 2.389 -0.335 -6.188 68 HZ1 LYS 8 HZ1 LYS 8 3.859 -1.676 -7.636 69 HZ2 LYS 8 HZ2 LYS 8 3.397 -3.134 -6.810 70 HZ3 LYS 8 HZ3 LYS 8 4.294 -1.898 -5.966 71 H ILE 9 H ILE 9 -1.201 -2.017 -0.149 72 HA ILE 9 HA ILE 9 -2.434 0.585 -0.148 73 HB ILE 9 HB ILE 9 -2.655 -1.544 2.050 74 HG12 ILE 9 HG12 ILE 9 -3.461 -2.671 0.083 75 HG13 ILE 9 HG13 ILE 9 -4.873 -2.126 0.985 76 HG21 ILE 9 HG21 ILE 9 -3.365 0.703 2.831 77 HG22 ILE 9 HG22 ILE 9 -4.440 0.883 1.423 78 HG23 ILE 9 HG23 ILE 9 -4.776 -0.358 2.658 79 HD11 ILE 9 HD11 ILE 9 -5.098 -0.156 -0.646 80 HD12 ILE 9 HD12 ILE 9 -3.725 -0.835 -1.577 81 HD13 ILE 9 HD13 ILE 9 -5.235 -1.759 -1.413 82 H ALA 10 H ALA 10 -0.228 -1.055 2.297 83 HA ALA 10 HA ALA 10 -0.289 1.123 4.070 84 HB1 ALA 10 HB1 ALA 10 1.860 0.236 5.010 85 HB2 ALA 10 HB2 ALA 10 0.690 -1.079 4.706 86 HB3 ALA 10 HB3 ALA 10 2.057 -0.825 3.585 87 H ALA 11 H ALA 11 2.126 0.447 1.399 88 HA ALA 11 HA ALA 11 3.662 2.787 2.011 89 HB1 ALA 11 HB1 ALA 11 4.619 0.899 0.695 90 HB2 ALA 11 HB2 ALA 11 3.484 1.229 -0.646 91 HB3 ALA 11 HB3 ALA 11 4.733 2.435 -0.216 92 H LYS 12 H LYS 12 1.109 2.140 -0.570 93 HA LYS 12 HA LYS 12 1.512 4.694 -1.711 94 HB2 LYS 12 HB2 LYS 12 0.323 2.826 -2.914 95 HB3 LYS 12 HB3 LYS 12 -1.061 3.012 -1.811 96 HG2 LYS 12 HG2 LYS 12 -1.598 4.123 -3.886 97 HG3 LYS 12 HG3 LYS 12 -1.390 5.392 -2.655 98 HD2 LYS 12 HD2 LYS 12 0.884 5.929 -3.574 99 HD3 LYS 12 HD3 LYS 12 0.770 4.545 -4.698 100 HE2 LYS 12 HE2 LYS 12 -1.203 5.663 -5.814 101 HE3 LYS 12 HE3 LYS 12 -1.040 7.041 -4.690 102 HZ1 LYS 12 HZ1 LYS 12 0.053 7.503 -6.848 103 HZ2 LYS 12 HZ2 LYS 12 1.066 6.103 -6.677 104 HZ3 LYS 12 HZ3 LYS 12 1.244 7.448 -5.580 105 H VAL 13 H VAL 13 -1.075 3.529 0.627 106 HA VAL 13 HA VAL 13 -2.295 6.124 0.773 107 HB VAL 13 HB VAL 13 -2.319 3.847 2.847 108 HG11 VAL 13 HG11 VAL 13 -2.797 6.002 4.008 109 HG12 VAL 13 HG12 VAL 13 -3.988 6.439 2.749 110 HG13 VAL 13 HG13 VAL 13 -4.294 5.062 3.846 111 HG21 VAL 13 HG21 VAL 13 -4.443 4.746 0.787 112 HG22 VAL 13 HG22 VAL 13 -3.451 3.269 0.651 113 HG23 VAL 13 HG23 VAL 13 -4.628 3.428 1.977 114 H GLY 14 H GLY 14 0.252 4.457 2.826 115 HA2 GLY 14 HA2 GLY 14 0.402 6.423 4.770 116 HA3 GLY 14 HA3 GLY 14 1.806 5.449 4.275 117 H SER 15 H1 SER 15 2.584 6.165 1.841 118 HA SER 15 HA SER 15 3.845 8.658 2.296 119 HB2 SER 15 HB2 SER 15 3.376 7.242 -0.406 120 HB3 SER 15 HB3 SER 15 4.596 8.513 -0.069 121 HG SER 15 HG SER 15 5.474 6.298 0.189 122 H ASN 16 H ASN 16 0.987 7.828 0.176 123 HA ASN 16 HA ASN 16 0.823 10.408 -0.979 124 HB2 ASN 16 HB2 ASN 16 -0.326 8.363 -1.873 125 HB3 ASN 16 HB3 ASN 16 -1.475 8.420 -0.500 126 HD21 ASN 16 HD21 ASN 16 -2.816 8.367 -2.745 127 HD22 ASN 16 HD22 ASN 16 -3.291 9.932 -3.299 128 H LEU 17 H LEU 17 -0.602 9.091 2.107 129 HA LEU 17 HA LEU 17 -1.880 11.784 2.541 130 HB2 LEU 17 HB2 LEU 17 -3.370 9.932 1.859 131 HB3 LEU 17 HB3 LEU 17 -2.939 9.007 3.307 132 HG LEU 17 HG LEU 17 -4.299 11.779 3.288 133 HD11 LEU 17 HD11 LEU 17 -6.359 10.533 3.963 134 HD12 LEU 17 HD12 LEU 17 -5.471 8.983 3.858 135 HD13 LEU 17 HD13 LEU 17 -5.766 9.955 2.385 136 HD21 LEU 17 HD21 LEU 17 -4.808 11.210 5.751 137 HD22 LEU 17 HD22 LEU 17 -3.110 11.575 5.438 138 HD23 LEU 17 HD23 LEU 17 -3.631 9.872 5.626 139 H LEU 18 H LEU 18 -0.942 8.817 4.586 140 HA LEU 18 HA LEU 18 -1.018 10.510 6.857 141 HB2 LEU 18 HB2 LEU 18 -1.186 7.936 6.890 142 HB3 LEU 18 HB3 LEU 18 0.574 7.918 6.614 143 HG LEU 18 HG LEU 18 0.869 9.205 8.810 144 HD11 LEU 18 HD11 LEU 18 -1.420 10.198 9.116 145 HD12 LEU 18 HD12 LEU 18 -1.053 9.108 10.464 146 HD13 LEU 18 HD13 LEU 18 -2.136 8.561 9.156 147 HD21 LEU 18 HD21 LEU 18 1.205 6.730 8.676 148 HD22 LEU 18 HD22 LEU 18 -0.535 6.463 8.983 149 HD23 LEU 18 HD23 LEU 18 0.503 7.180 10.249 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -1.273 -13.632 -2.489 2 HA2 GLY 1 HA2 GLY 1 0.963 -14.526 -1.850 3 HA3 GLY 1 HA3 GLY 1 1.040 -12.755 -2.129 4 H LEU 2 H LEU 2 3.022 -13.618 -0.527 5 HA LEU 2 HA LEU 2 2.217 -13.764 2.279 6 HB2 LEU 2 HB2 LEU 2 4.941 -13.269 0.942 7 HB3 LEU 2 HB3 LEU 2 4.689 -13.131 2.698 8 HG LEU 2 HG LEU 2 3.955 -15.485 2.862 9 HD11 LEU 2 HD11 LEU 2 4.563 -15.660 -0.159 10 HD12 LEU 2 HD12 LEU 2 2.964 -15.892 0.617 11 HD13 LEU 2 HD13 LEU 2 4.269 -17.060 0.911 12 HD21 LEU 2 HD21 LEU 2 6.187 -16.533 2.446 13 HD22 LEU 2 HD22 LEU 2 6.379 -14.906 3.148 14 HD23 LEU 2 HD23 LEU 2 6.652 -15.160 1.401 15 H LEU 3 H LEU 3 3.530 -11.158 0.050 16 HA LEU 3 HA LEU 3 2.306 -9.125 1.826 17 HB2 LEU 3 HB2 LEU 3 4.629 -8.041 2.132 18 HB3 LEU 3 HB3 LEU 3 4.313 -9.525 3.045 19 HG LEU 3 HG LEU 3 5.664 -10.859 1.459 20 HD11 LEU 3 HD11 LEU 3 5.369 -9.595 -0.685 21 HD12 LEU 3 HD12 LEU 3 7.088 -9.733 -0.281 22 HD13 LEU 3 HD13 LEU 3 6.237 -8.192 0.013 23 HD21 LEU 3 HD21 LEU 3 7.136 -8.355 2.480 24 HD22 LEU 3 HD22 LEU 3 7.889 -9.927 2.084 25 HD23 LEU 3 HD23 LEU 3 6.753 -9.806 3.451 26 H GLY 4 H GLY 4 1.474 -9.766 -0.759 27 HA2 GLY 4 HA2 GLY 4 2.906 -7.957 -2.585 28 HA3 GLY 4 HA3 GLY 4 1.520 -8.954 -2.980 29 HA PRO 5 HA PRO 5 -0.680 -5.126 -2.929 30 HB2 PRO 5 HB2 PRO 5 -3.315 -5.844 -2.404 31 HB3 PRO 5 HB3 PRO 5 -2.445 -6.403 -3.868 32 HG2 PRO 5 HG2 PRO 5 -2.723 -7.937 -1.234 33 HG3 PRO 5 HG3 PRO 5 -3.193 -8.512 -2.862 34 HD2 PRO 5 HD2 PRO 5 -0.735 -9.173 -1.837 35 HD3 PRO 5 HD3 PRO 5 -0.849 -8.661 -3.569 36 H LEU 6 H LEU 6 -0.881 -7.071 0.138 37 HA LEU 6 HA LEU 6 -2.234 -5.204 1.705 38 HB2 LEU 6 HB2 LEU 6 -1.493 -7.454 2.544 39 HB3 LEU 6 HB3 LEU 6 0.206 -6.941 2.429 40 HG LEU 6 HG LEU 6 -0.238 -5.182 4.223 41 HD11 LEU 6 HD11 LEU 6 -2.987 -6.575 4.416 42 HD12 LEU 6 HD12 LEU 6 -2.704 -4.861 3.988 43 HD13 LEU 6 HD13 LEU 6 -2.331 -5.437 5.624 44 HD21 LEU 6 HD21 LEU 6 0.756 -7.398 4.800 45 HD22 LEU 6 HD22 LEU 6 -0.879 -8.092 5.005 46 HD23 LEU 6 HD23 LEU 6 -0.299 -6.816 6.113 47 H LEU 7 H LEU 7 1.267 -5.320 0.730 48 HA LEU 7 HA LEU 7 1.912 -2.986 2.366 49 HB2 LEU 7 HB2 LEU 7 3.456 -4.529 0.218 50 HB3 LEU 7 HB3 LEU 7 4.057 -2.996 0.884 51 HG LEU 7 HG LEU 7 4.187 -3.846 3.147 52 HD11 LEU 7 HD11 LEU 7 3.662 -6.258 3.719 53 HD12 LEU 7 HD12 LEU 7 2.882 -6.435 2.121 54 HD13 LEU 7 HD13 LEU 7 2.218 -5.306 3.333 55 HD21 LEU 7 HD21 LEU 7 5.383 -5.872 1.153 56 HD22 LEU 7 HD22 LEU 7 5.926 -5.632 2.840 57 HD23 LEU 7 HD23 LEU 7 6.115 -4.320 1.644 58 H LYS 8 H LYS 8 1.010 -3.526 -1.155 59 HA LYS 8 HA LYS 8 1.712 -0.984 -2.040 60 HB2 LYS 8 HB2 LYS 8 0.653 -2.709 -3.536 61 HB3 LYS 8 HB3 LYS 8 -0.925 -2.425 -2.749 62 HG2 LYS 8 HG2 LYS 8 -0.868 -0.014 -3.504 63 HG3 LYS 8 HG3 LYS 8 0.729 -0.294 -4.254 64 HD2 LYS 8 HD2 LYS 8 -0.334 -2.009 -5.792 65 HD3 LYS 8 HD3 LYS 8 -1.920 -1.667 -5.044 66 HE2 LYS 8 HE2 LYS 8 -1.714 0.751 -5.771 67 HE3 LYS 8 HE3 LYS 8 -0.153 0.374 -6.548 68 HZ1 LYS 8 HZ1 LYS 8 -1.311 -1.230 -8.039 69 HZ2 LYS 8 HZ2 LYS 8 -1.977 0.372 -8.187 70 HZ3 LYS 8 HZ3 LYS 8 -2.839 -0.841 -7.287 71 H ILE 9 H ILE 9 -1.225 -1.977 -0.105 72 HA ILE 9 HA ILE 9 -2.383 0.659 -0.200 73 HB ILE 9 HB ILE 9 -2.709 -1.424 2.034 74 HG12 ILE 9 HG12 ILE 9 -3.477 -2.578 0.060 75 HG13 ILE 9 HG13 ILE 9 -4.908 -1.988 0.904 76 HG21 ILE 9 HG21 ILE 9 -4.446 1.010 1.308 77 HG22 ILE 9 HG22 ILE 9 -4.822 -0.199 2.563 78 HG23 ILE 9 HG23 ILE 9 -3.404 0.853 2.746 79 HD11 ILE 9 HD11 ILE 9 -5.185 -1.656 -1.511 80 HD12 ILE 9 HD12 ILE 9 -5.036 -0.043 -0.769 81 HD13 ILE 9 HD13 ILE 9 -3.650 -0.769 -1.643 82 H ALA 10 H ALA 10 -0.212 -0.988 2.271 83 HA ALA 10 HA ALA 10 -0.212 1.184 4.038 84 HB1 ALA 10 HB1 ALA 10 0.823 -1.021 4.613 85 HB2 ALA 10 HB2 ALA 10 2.165 -0.700 3.476 86 HB3 ALA 10 HB3 ALA 10 1.957 0.329 4.919 87 H ALA 11 H ALA 11 2.098 0.572 1.251 88 HA ALA 11 HA ALA 11 3.620 2.942 1.848 89 HB1 ALA 11 HB1 ALA 11 4.639 2.610 -0.408 90 HB2 ALA 11 HB2 ALA 11 4.590 1.078 0.515 91 HB3 ALA 11 HB3 ALA 11 3.415 1.367 -0.799 92 H LYS 12 H LYS 12 1.044 2.213 -0.667 93 HA LYS 12 HA LYS 12 1.212 4.754 -1.876 94 HB2 LYS 12 HB2 LYS 12 -0.008 2.866 -2.924 95 HB3 LYS 12 HB3 LYS 12 -1.239 2.917 -1.631 96 HG2 LYS 12 HG2 LYS 12 -1.963 5.188 -2.347 97 HG3 LYS 12 HG3 LYS 12 -0.630 5.270 -3.526 98 HD2 LYS 12 HD2 LYS 12 -2.753 4.782 -4.663 99 HD3 LYS 12 HD3 LYS 12 -1.632 3.410 -4.855 100 HE2 LYS 12 HE2 LYS 12 -2.869 2.090 -3.160 101 HE3 LYS 12 HE3 LYS 12 -3.867 3.509 -2.728 102 HZ1 LYS 12 HZ1 LYS 12 -5.059 1.934 -4.208 103 HZ2 LYS 12 HZ2 LYS 12 -3.847 2.137 -5.440 104 HZ3 LYS 12 HZ3 LYS 12 -4.862 3.476 -4.979 105 H VAL 13 H VAL 13 -1.095 3.599 0.736 106 HA VAL 13 HA VAL 13 -2.321 6.197 0.924 107 HB VAL 13 HB VAL 13 -2.272 3.903 2.967 108 HG11 VAL 13 HG11 VAL 13 -2.693 6.044 4.172 109 HG12 VAL 13 HG12 VAL 13 -3.924 6.510 2.964 110 HG13 VAL 13 HG13 VAL 13 -4.206 5.121 4.051 111 HG21 VAL 13 HG21 VAL 13 -4.609 3.497 2.167 112 HG22 VAL 13 HG22 VAL 13 -4.470 4.845 1.006 113 HG23 VAL 13 HG23 VAL 13 -3.483 3.376 0.790 114 H GLY 14 H GLY 14 0.350 4.533 2.831 115 HA2 GLY 14 HA2 GLY 14 0.659 6.558 4.745 116 HA3 GLY 14 HA3 GLY 14 2.000 5.549 4.155 117 H SER 15 H1 SER 15 2.840 6.198 1.816 118 HA SER 15 HA SER 15 4.028 8.679 2.029 119 HB2 SER 15 HB2 SER 15 4.754 7.005 0.326 120 HB3 SER 15 HB3 SER 15 3.237 7.246 -0.584 121 HG SER 15 HG SER 15 5.202 9.304 -0.176 122 H ASN 16 H ASN 16 0.916 7.948 0.238 123 HA ASN 16 HA ASN 16 0.701 10.569 -0.838 124 HB2 ASN 16 HB2 ASN 16 -0.610 8.643 -1.696 125 HB3 ASN 16 HB3 ASN 16 -1.549 8.576 -0.178 126 HD21 ASN 16 HD21 ASN 16 -3.257 8.721 -2.102 127 HD22 ASN 16 HD22 ASN 16 -3.787 10.327 -2.451 128 H LEU 17 H LEU 17 -0.836 9.118 2.141 129 HA LEU 17 HA LEU 17 -1.985 11.796 2.725 130 HB2 LEU 17 HB2 LEU 17 -3.515 9.883 2.555 131 HB3 LEU 17 HB3 LEU 17 -2.610 8.997 3.804 132 HG LEU 17 HG LEU 17 -3.228 10.671 5.533 133 HD11 LEU 17 HD11 LEU 17 -5.047 12.379 5.007 134 HD12 LEU 17 HD12 LEU 17 -4.824 12.037 3.268 135 HD13 LEU 17 HD13 LEU 17 -3.502 12.767 4.229 136 HD21 LEU 17 HD21 LEU 17 -4.678 8.659 5.135 137 HD22 LEU 17 HD22 LEU 17 -5.649 9.591 3.959 138 HD23 LEU 17 HD23 LEU 17 -5.642 10.053 5.685 139 H LEU 18 H LEU 18 -0.137 9.133 4.486 140 HA LEU 18 HA LEU 18 1.049 9.230 6.463 141 HB2 LEU 18 HB2 LEU 18 1.157 12.279 6.166 142 HB3 LEU 18 HB3 LEU 18 2.193 11.264 7.173 143 HG LEU 18 HG LEU 18 2.125 11.066 4.097 144 HD11 LEU 18 HD11 LEU 18 2.832 13.368 4.743 145 HD12 LEU 18 HD12 LEU 18 4.221 12.449 4.110 146 HD13 LEU 18 HD13 LEU 18 4.045 12.697 5.873 147 HD21 LEU 18 HD21 LEU 18 4.244 10.124 6.150 148 HD22 LEU 18 HD22 LEU 18 4.344 9.938 4.377 149 HD23 LEU 18 HD23 LEU 18 3.117 9.038 5.298 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 3.200 -15.095 4.661 2 HA2 GLY 1 HA2 GLY 1 1.772 -15.424 2.632 3 HA3 GLY 1 HA3 GLY 1 1.528 -13.795 3.344 4 H LEU 2 H LEU 2 0.850 -13.776 0.782 5 HA LEU 2 HA LEU 2 3.027 -13.445 -1.075 6 HB2 LEU 2 HB2 LEU 2 0.238 -12.148 -1.070 7 HB3 LEU 2 HB3 LEU 2 1.371 -12.059 -2.437 8 HG LEU 2 HG LEU 2 0.184 -14.697 -1.357 9 HD11 LEU 2 HD11 LEU 2 -0.599 -13.049 -3.840 10 HD12 LEU 2 HD12 LEU 2 -1.583 -13.234 -2.357 11 HD13 LEU 2 HD13 LEU 2 -1.264 -14.649 -3.394 12 HD21 LEU 2 HD21 LEU 2 2.347 -15.129 -2.517 13 HD22 LEU 2 HD22 LEU 2 1.847 -14.097 -3.889 14 HD23 LEU 2 HD23 LEU 2 1.011 -15.639 -3.562 15 H LEU 3 H LEU 3 1.454 -11.206 1.318 16 HA LEU 3 HA LEU 3 2.149 -9.117 1.979 17 HB2 LEU 3 HB2 LEU 3 4.439 -10.755 1.742 18 HB3 LEU 3 HB3 LEU 3 4.895 -9.360 0.763 19 HG LEU 3 HG LEU 3 5.744 -9.142 3.023 20 HD11 LEU 3 HD11 LEU 3 3.386 -7.174 2.744 21 HD12 LEU 3 HD12 LEU 3 4.978 -7.058 1.944 22 HD13 LEU 3 HD13 LEU 3 4.858 -6.945 3.722 23 HD21 LEU 3 HD21 LEU 3 4.156 -10.663 4.210 24 HD22 LEU 3 HD22 LEU 3 2.894 -9.404 4.170 25 HD23 LEU 3 HD23 LEU 3 4.400 -9.121 5.072 26 H GLY 4 H GLY 4 0.707 -9.436 -0.507 27 HA2 GLY 4 HA2 GLY 4 2.085 -7.682 -2.445 28 HA3 GLY 4 HA3 GLY 4 0.585 -8.556 -2.704 29 HA PRO 5 HA PRO 5 -1.508 -4.704 -2.078 30 HB2 PRO 5 HB2 PRO 5 -3.833 -5.335 -0.649 31 HB3 PRO 5 HB3 PRO 5 -3.567 -5.801 -2.358 32 HG2 PRO 5 HG2 PRO 5 -3.004 -7.528 0.096 33 HG3 PRO 5 HG3 PRO 5 -4.006 -7.968 -1.320 34 HD2 PRO 5 HD2 PRO 5 -1.427 -8.787 -1.214 35 HD3 PRO 5 HD3 PRO 5 -2.002 -8.083 -2.773 36 H LEU 6 H LEU 6 -0.796 -6.705 0.857 37 HA LEU 6 HA LEU 6 -1.179 -4.699 2.800 38 HB2 LEU 6 HB2 LEU 6 0.927 -6.903 2.533 39 HB3 LEU 6 HB3 LEU 6 0.837 -5.888 3.983 40 HG LEU 6 HG LEU 6 -1.701 -7.334 3.023 41 HD11 LEU 6 HD11 LEU 6 0.521 -8.638 4.695 42 HD12 LEU 6 HD12 LEU 6 -0.036 -9.147 3.069 43 HD13 LEU 6 HD13 LEU 6 -1.124 -9.302 4.467 44 HD21 LEU 6 HD21 LEU 6 -1.860 -5.636 4.907 45 HD22 LEU 6 HD22 LEU 6 -0.688 -6.606 5.844 46 HD23 LEU 6 HD23 LEU 6 -2.287 -7.283 5.434 47 H LEU 7 H LEU 7 1.775 -5.311 0.686 48 HA LEU 7 HA LEU 7 2.984 -2.857 1.666 49 HB2 LEU 7 HB2 LEU 7 3.665 -4.780 -0.579 50 HB3 LEU 7 HB3 LEU 7 4.273 -3.134 -0.763 51 HG LEU 7 HG LEU 7 4.798 -4.682 1.805 52 HD11 LEU 7 HD11 LEU 7 7.041 -5.271 0.844 53 HD12 LEU 7 HD12 LEU 7 6.586 -4.518 -0.715 54 HD13 LEU 7 HD13 LEU 7 5.746 -5.988 -0.152 55 HD21 LEU 7 HD21 LEU 7 6.240 -2.278 0.502 56 HD22 LEU 7 HD22 LEU 7 6.701 -3.065 2.031 57 HD23 LEU 7 HD23 LEU 7 5.174 -2.168 1.922 58 H LYS 8 H LYS 8 1.522 -3.673 -1.609 59 HA LYS 8 HA LYS 8 2.024 -1.216 -2.669 60 HB2 LYS 8 HB2 LYS 8 1.026 -3.118 -3.966 61 HB3 LYS 8 HB3 LYS 8 -0.530 -2.862 -3.139 62 HG2 LYS 8 HG2 LYS 8 -0.622 -1.970 -5.387 63 HG3 LYS 8 HG3 LYS 8 -0.806 -0.633 -4.228 64 HD2 LYS 8 HD2 LYS 8 1.522 0.078 -4.579 65 HD3 LYS 8 HD3 LYS 8 1.876 -1.344 -5.596 66 HE2 LYS 8 HE2 LYS 8 -0.150 0.883 -6.300 67 HE3 LYS 8 HE3 LYS 8 1.534 0.802 -6.879 68 HZ1 LYS 8 HZ1 LYS 8 1.019 -1.388 -7.959 69 HZ2 LYS 8 HZ2 LYS 8 0.134 -0.043 -8.609 70 HZ3 LYS 8 HZ3 LYS 8 -0.672 -1.156 -7.579 71 H ILE 9 H ILE 9 -0.905 -2.048 -0.679 72 HA ILE 9 HA ILE 9 -2.026 0.620 -1.083 73 HB ILE 9 HB ILE 9 -2.778 -1.490 1.007 74 HG12 ILE 9 HG12 ILE 9 -3.171 -2.505 -1.187 75 HG13 ILE 9 HG13 ILE 9 -4.718 -2.037 -0.470 76 HG21 ILE 9 HG21 ILE 9 -4.275 1.036 0.096 77 HG22 ILE 9 HG22 ILE 9 -4.925 -0.217 1.186 78 HG23 ILE 9 HG23 ILE 9 -3.526 0.759 1.688 79 HD11 ILE 9 HD11 ILE 9 -4.707 -1.538 -2.871 80 HD12 ILE 9 HD12 ILE 9 -4.749 0.016 -2.003 81 HD13 ILE 9 HD13 ILE 9 -3.223 -0.567 -2.744 82 H ALA 10 H ALA 10 -0.344 -1.070 1.738 83 HA ALA 10 HA ALA 10 -0.595 1.147 3.448 84 HB1 ALA 10 HB1 ALA 10 0.258 -1.048 4.268 85 HB2 ALA 10 HB2 ALA 10 1.773 -0.829 3.339 86 HB3 ALA 10 HB3 ALA 10 1.387 0.270 4.694 87 H ALA 11 H ALA 11 2.109 0.384 1.100 88 HA ALA 11 HA ALA 11 3.716 2.590 1.837 89 HB1 ALA 11 HB1 ALA 11 4.557 0.756 0.363 90 HB2 ALA 11 HB2 ALA 11 3.448 1.265 -0.942 91 HB3 ALA 11 HB3 ALA 11 4.776 2.346 -0.426 92 H LYS 12 H LYS 12 1.109 2.329 -0.732 93 HA LYS 12 HA LYS 12 1.706 5.035 -1.605 94 HB2 LYS 12 HB2 LYS 12 -0.613 3.135 -2.270 95 HB3 LYS 12 HB3 LYS 12 -0.440 4.740 -3.014 96 HG2 LYS 12 HG2 LYS 12 1.840 2.688 -3.088 97 HG3 LYS 12 HG3 LYS 12 0.562 2.666 -4.315 98 HD2 LYS 12 HD2 LYS 12 1.269 4.632 -5.364 99 HD3 LYS 12 HD3 LYS 12 1.870 5.380 -3.882 100 HE2 LYS 12 HE2 LYS 12 3.758 4.919 -5.333 101 HE3 LYS 12 HE3 LYS 12 3.878 3.920 -3.863 102 HZ1 LYS 12 HZ1 LYS 12 3.075 1.969 -5.135 103 HZ2 LYS 12 HZ2 LYS 12 4.450 2.669 -5.911 104 HZ3 LYS 12 HZ3 LYS 12 2.862 2.969 -6.562 105 H VAL 13 H VAL 13 -1.105 3.600 0.268 106 HA VAL 13 HA VAL 13 -2.320 6.189 0.573 107 HB VAL 13 HB VAL 13 -2.582 3.679 2.332 108 HG11 VAL 13 HG11 VAL 13 -4.200 6.309 2.405 109 HG12 VAL 13 HG12 VAL 13 -4.636 4.811 3.276 110 HG13 VAL 13 HG13 VAL 13 -3.149 5.685 3.710 111 HG21 VAL 13 HG21 VAL 13 -3.472 3.451 -0.039 112 HG22 VAL 13 HG22 VAL 13 -4.778 3.421 1.175 113 HG23 VAL 13 HG23 VAL 13 -4.483 4.900 0.218 114 H GLY 14 H GLY 14 -0.058 4.263 2.731 115 HA2 GLY 14 HA2 GLY 14 -0.003 6.076 4.841 116 HA3 GLY 14 HA3 GLY 14 1.397 5.080 4.380 117 H SER 15 H1 SER 15 2.245 6.017 1.933 118 HA SER 15 HA SER 15 3.652 8.358 2.789 119 HB2 SER 15 HB2 SER 15 4.608 6.805 1.112 120 HB3 SER 15 HB3 SER 15 3.329 7.242 -0.064 121 HG SER 15 HG SER 15 5.284 8.567 -0.354 122 H ASN 16 H ASN 16 0.950 7.916 0.367 123 HA ASN 16 HA ASN 16 0.980 10.644 -0.443 124 HB2 ASN 16 HB2 ASN 16 -1.376 8.666 -0.503 125 HB3 ASN 16 HB3 ASN 16 -1.250 10.179 -1.447 126 HD21 ASN 16 HD21 ASN 16 -1.701 8.017 -3.012 127 HD22 ASN 16 HD22 ASN 16 -0.251 7.486 -3.782 128 H LEU 17 H LEU 17 -0.789 8.975 2.244 129 HA LEU 17 HA LEU 17 -2.034 11.627 2.948 130 HB2 LEU 17 HB2 LEU 17 -3.516 9.968 1.884 131 HB3 LEU 17 HB3 LEU 17 -3.233 8.807 3.191 132 HG LEU 17 HG LEU 17 -4.478 11.612 3.562 133 HD11 LEU 17 HD11 LEU 17 -5.839 8.848 3.431 134 HD12 LEU 17 HD12 LEU 17 -5.940 10.121 2.179 135 HD13 LEU 17 HD13 LEU 17 -6.659 10.398 3.783 136 HD21 LEU 17 HD21 LEU 17 -3.517 10.881 5.724 137 HD22 LEU 17 HD22 LEU 17 -4.185 9.233 5.514 138 HD23 LEU 17 HD23 LEU 17 -5.264 10.628 5.799 139 H LEU 18 H LEU 18 -1.287 8.358 4.513 140 HA LEU 18 HA LEU 18 -0.320 7.938 6.540 141 HB2 LEU 18 HB2 LEU 18 1.302 9.971 5.881 142 HB3 LEU 18 HB3 LEU 18 0.319 10.874 7.046 143 HG LEU 18 HG LEU 18 0.841 8.930 8.736 144 HD11 LEU 18 HD11 LEU 18 1.827 7.264 7.077 145 HD12 LEU 18 HD12 LEU 18 3.004 7.723 8.325 146 HD13 LEU 18 HD13 LEU 18 3.115 8.436 6.694 147 HD21 LEU 18 HD21 LEU 18 3.031 9.997 9.374 148 HD22 LEU 18 HD22 LEU 18 1.804 11.218 8.958 149 HD23 LEU 18 HD23 LEU 18 3.090 10.813 7.784 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 1.663 -15.651 4.347 2 HA2 GLY 1 HA2 GLY 1 0.973 -15.638 1.943 3 HA3 GLY 1 HA3 GLY 1 0.741 -14.026 2.696 4 H LEU 2 H LEU 2 0.967 -13.695 0.109 5 HA LEU 2 HA LEU 2 3.777 -13.577 -0.772 6 HB2 LEU 2 HB2 LEU 2 1.175 -12.517 -2.019 7 HB3 LEU 2 HB3 LEU 2 2.788 -12.166 -2.676 8 HG LEU 2 HG LEU 2 3.279 -14.560 -3.024 9 HD11 LEU 2 HD11 LEU 2 0.411 -15.075 -2.009 10 HD12 LEU 2 HD12 LEU 2 1.928 -15.664 -1.257 11 HD13 LEU 2 HD13 LEU 2 1.430 -16.279 -2.845 12 HD21 LEU 2 HD21 LEU 2 1.708 -14.924 -4.931 13 HD22 LEU 2 HD22 LEU 2 2.223 -13.221 -4.860 14 HD23 LEU 2 HD23 LEU 2 0.599 -13.686 -4.274 15 H LEU 3 H LEU 3 1.526 -11.419 1.050 16 HA LEU 3 HA LEU 3 1.850 -9.245 1.773 17 HB2 LEU 3 HB2 LEU 3 4.842 -9.735 1.309 18 HB3 LEU 3 HB3 LEU 3 4.092 -8.623 2.460 19 HG LEU 3 HG LEU 3 4.007 -11.700 2.589 20 HD11 LEU 3 HD11 LEU 3 5.474 -11.425 4.588 21 HD12 LEU 3 HD12 LEU 3 5.473 -9.652 4.366 22 HD13 LEU 3 HD13 LEU 3 6.242 -10.709 3.146 23 HD21 LEU 3 HD21 LEU 3 1.899 -10.824 3.586 24 HD22 LEU 3 HD22 LEU 3 2.819 -9.613 4.528 25 HD23 LEU 3 HD23 LEU 3 2.982 -11.357 4.885 26 H GLY 4 H GLY 4 0.983 -9.569 -0.825 27 HA2 GLY 4 HA2 GLY 4 2.689 -7.822 -2.518 28 HA3 GLY 4 HA3 GLY 4 1.277 -8.729 -3.036 29 HA PRO 5 HA PRO 5 -0.860 -4.913 -2.889 30 HB2 PRO 5 HB2 PRO 5 -3.488 -5.533 -2.140 31 HB3 PRO 5 HB3 PRO 5 -2.759 -6.046 -3.694 32 HG2 PRO 5 HG2 PRO 5 -2.883 -7.695 -1.125 33 HG3 PRO 5 HG3 PRO 5 -3.473 -8.183 -2.742 34 HD2 PRO 5 HD2 PRO 5 -1.005 -8.969 -1.924 35 HD3 PRO 5 HD3 PRO 5 -1.163 -8.329 -3.604 36 H LEU 6 H LEU 6 -0.999 -6.795 0.235 37 HA LEU 6 HA LEU 6 -2.082 -4.686 1.809 38 HB2 LEU 6 HB2 LEU 6 -0.030 -6.882 2.483 39 HB3 LEU 6 HB3 LEU 6 -0.460 -5.646 3.676 40 HG LEU 6 HG LEU 6 -1.671 -7.765 4.032 41 HD11 LEU 6 HD11 LEU 6 -3.639 -5.485 3.366 42 HD12 LEU 6 HD12 LEU 6 -2.641 -5.582 4.845 43 HD13 LEU 6 HD13 LEU 6 -3.875 -6.822 4.510 44 HD21 LEU 6 HD21 LEU 6 -3.194 -7.175 1.420 45 HD22 LEU 6 HD22 LEU 6 -3.538 -8.488 2.576 46 HD23 LEU 6 HD23 LEU 6 -2.008 -8.503 1.663 47 H LEU 7 H LEU 7 1.314 -5.353 0.713 48 HA LEU 7 HA LEU 7 2.328 -3.047 2.156 49 HB2 LEU 7 HB2 LEU 7 3.480 -4.799 -0.074 50 HB3 LEU 7 HB3 LEU 7 4.296 -3.305 0.405 51 HG LEU 7 HG LEU 7 5.159 -5.437 1.506 52 HD11 LEU 7 HD11 LEU 7 5.718 -3.169 2.395 53 HD12 LEU 7 HD12 LEU 7 5.600 -4.385 3.689 54 HD13 LEU 7 HD13 LEU 7 4.283 -3.212 3.456 55 HD21 LEU 7 HD21 LEU 7 2.943 -6.516 2.041 56 HD22 LEU 7 HD22 LEU 7 2.610 -5.245 3.249 57 HD23 LEU 7 HD23 LEU 7 3.982 -6.350 3.481 58 H LYS 8 H LYS 8 1.125 -3.556 -1.273 59 HA LYS 8 HA LYS 8 1.918 -0.988 -2.116 60 HB2 LYS 8 HB2 LYS 8 0.955 -2.714 -3.664 61 HB3 LYS 8 HB3 LYS 8 -0.668 -2.422 -2.975 62 HG2 LYS 8 HG2 LYS 8 -0.605 -0.046 -3.735 63 HG3 LYS 8 HG3 LYS 8 1.073 -0.248 -4.313 64 HD2 LYS 8 HD2 LYS 8 0.299 -1.958 -5.982 65 HD3 LYS 8 HD3 LYS 8 -1.384 -1.747 -5.421 66 HE2 LYS 8 HE2 LYS 8 -1.322 0.663 -6.118 67 HE3 LYS 8 HE3 LYS 8 0.378 0.488 -6.629 68 HZ1 LYS 8 HZ1 LYS 8 -1.147 0.335 -8.546 69 HZ2 LYS 8 HZ2 LYS 8 -1.975 -1.014 -7.822 70 HZ3 LYS 8 HZ3 LYS 8 -0.311 -1.172 -8.321 71 H ILE 9 H ILE 9 -1.103 -2.032 -0.314 72 HA ILE 9 HA ILE 9 -2.237 0.615 -0.370 73 HB ILE 9 HB ILE 9 -2.645 -1.575 1.744 74 HG12 ILE 9 HG12 ILE 9 -3.446 -2.505 -0.355 75 HG13 ILE 9 HG13 ILE 9 -4.840 -2.015 0.607 76 HG21 ILE 9 HG21 ILE 9 -4.738 -0.304 2.339 77 HG22 ILE 9 HG22 ILE 9 -3.267 0.631 2.663 78 HG23 ILE 9 HG23 ILE 9 -4.250 1.000 1.225 79 HD11 ILE 9 HD11 ILE 9 -5.031 0.093 -0.848 80 HD12 ILE 9 HD12 ILE 9 -3.682 -0.534 -1.847 81 HD13 ILE 9 HD13 ILE 9 -5.211 -1.435 -1.744 82 H ALA 10 H ALA 10 -0.098 -1.117 2.062 83 HA ALA 10 HA ALA 10 -0.135 0.949 3.942 84 HB1 ALA 10 HB1 ALA 10 2.305 -0.807 3.253 85 HB2 ALA 10 HB2 ALA 10 2.058 0.109 4.765 86 HB3 ALA 10 HB3 ALA 10 0.982 -1.264 4.368 87 H ALA 11 H ALA 11 2.072 0.582 1.039 88 HA ALA 11 HA ALA 11 3.559 2.969 1.702 89 HB1 ALA 11 HB1 ALA 11 3.226 1.556 -1.023 90 HB2 ALA 11 HB2 ALA 11 4.437 2.813 -0.633 91 HB3 ALA 11 HB3 ALA 11 4.496 1.223 0.186 92 H LYS 12 H LYS 12 0.818 2.256 -0.607 93 HA LYS 12 HA LYS 12 0.769 4.780 -1.792 94 HB2 LYS 12 HB2 LYS 12 -0.648 2.712 -2.487 95 HB3 LYS 12 HB3 LYS 12 -1.719 3.082 -1.134 96 HG2 LYS 12 HG2 LYS 12 -2.774 3.991 -3.089 97 HG3 LYS 12 HG3 LYS 12 -2.154 5.379 -2.170 98 HD2 LYS 12 HD2 LYS 12 -1.799 5.692 -4.575 99 HD3 LYS 12 HD3 LYS 12 -0.211 5.559 -3.799 100 HE2 LYS 12 HE2 LYS 12 0.049 3.224 -4.626 101 HE3 LYS 12 HE3 LYS 12 -1.639 3.218 -5.216 102 HZ1 LYS 12 HZ1 LYS 12 -1.038 4.971 -6.845 103 HZ2 LYS 12 HZ2 LYS 12 -0.012 3.582 -7.024 104 HZ3 LYS 12 HZ3 LYS 12 0.594 5.009 -6.229 105 H VAL 13 H VAL 13 -0.977 3.588 1.181 106 HA VAL 13 HA VAL 13 -2.263 6.172 1.574 107 HB VAL 13 HB VAL 13 -2.022 3.730 3.411 108 HG11 VAL 13 HG11 VAL 13 -3.803 4.822 4.790 109 HG12 VAL 13 HG12 VAL 13 -2.314 5.797 4.797 110 HG13 VAL 13 HG13 VAL 13 -3.700 6.291 3.781 111 HG21 VAL 13 HG21 VAL 13 -4.405 3.360 2.782 112 HG22 VAL 13 HG22 VAL 13 -4.394 4.821 1.756 113 HG23 VAL 13 HG23 VAL 13 -3.411 3.406 1.303 114 H GLY 14 H GLY 14 0.415 4.344 3.275 115 HA2 GLY 14 HA2 GLY 14 1.053 5.863 5.314 116 HA3 GLY 14 HA3 GLY 14 2.353 5.297 4.235 117 H SER 15 H1 SER 15 2.158 6.856 1.974 118 HA SER 15 HA SER 15 2.423 9.655 3.064 119 HB2 SER 15 HB2 SER 15 4.468 9.922 1.732 120 HB3 SER 15 HB3 SER 15 4.606 8.556 2.873 121 HG SER 15 HG SER 15 4.180 8.282 0.053 122 H ASN 16 H ASN 16 1.853 7.774 -0.104 123 HA ASN 16 HA ASN 16 1.506 10.267 -1.470 124 HB2 ASN 16 HB2 ASN 16 0.468 7.500 -2.292 125 HB3 ASN 16 HB3 ASN 16 0.635 8.926 -3.347 126 HD21 ASN 16 HD21 ASN 16 1.945 6.921 -4.439 127 HD22 ASN 16 HD22 ASN 16 3.633 6.938 -4.083 128 H LEU 17 H LEU 17 -0.806 8.108 0.323 129 HA LEU 17 HA LEU 17 -2.912 10.169 -0.196 130 HB2 LEU 17 HB2 LEU 17 -2.972 8.206 -1.861 131 HB3 LEU 17 HB3 LEU 17 -3.177 7.120 -0.475 132 HG LEU 17 HG LEU 17 -5.393 8.325 0.056 133 HD11 LEU 17 HD11 LEU 17 -6.428 9.691 -1.802 134 HD12 LEU 17 HD12 LEU 17 -4.865 9.690 -2.662 135 HD13 LEU 17 HD13 LEU 17 -5.035 10.520 -1.088 136 HD21 LEU 17 HD21 LEU 17 -6.649 7.203 -1.787 137 HD22 LEU 17 HD22 LEU 17 -5.330 6.163 -1.194 138 HD23 LEU 17 HD23 LEU 17 -5.142 7.048 -2.736 139 H LEU 18 H LEU 18 -1.459 10.330 2.045 140 HA LEU 18 HA LEU 18 -2.498 8.585 4.128 141 HB2 LEU 18 HB2 LEU 18 -1.274 9.906 5.705 142 HB3 LEU 18 HB3 LEU 18 -0.301 9.729 4.234 143 HG LEU 18 HG LEU 18 -1.360 12.141 3.606 144 HD11 LEU 18 HD11 LEU 18 -2.942 12.282 5.597 145 HD12 LEU 18 HD12 LEU 18 -1.738 13.585 5.603 146 HD13 LEU 18 HD13 LEU 18 -1.538 12.187 6.690 147 HD21 LEU 18 HD21 LEU 18 1.067 11.736 3.939 148 HD22 LEU 18 HD22 LEU 18 0.853 11.772 5.715 149 HD23 LEU 18 HD23 LEU 18 0.587 13.252 4.742 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 4.198 -15.725 3.867 2 HA2 GLY 1 HA2 GLY 1 1.435 -15.665 2.757 3 HA3 GLY 1 HA3 GLY 1 2.069 -14.385 3.836 4 H LEU 2 H LEU 2 1.077 -14.046 0.991 5 HA LEU 2 HA LEU 2 3.533 -13.643 -0.565 6 HB2 LEU 2 HB2 LEU 2 1.108 -14.250 -1.416 7 HB3 LEU 2 HB3 LEU 2 0.804 -12.503 -1.325 8 HG LEU 2 HG LEU 2 2.910 -14.007 -3.016 9 HD11 LEU 2 HD11 LEU 2 1.586 -13.183 -4.955 10 HD12 LEU 2 HD12 LEU 2 0.467 -12.321 -3.855 11 HD13 LEU 2 HD13 LEU 2 0.531 -14.109 -3.855 12 HD21 LEU 2 HD21 LEU 2 3.420 -11.748 -4.078 13 HD22 LEU 2 HD22 LEU 2 3.997 -11.899 -2.412 14 HD23 LEU 2 HD23 LEU 2 2.512 -10.966 -2.759 15 H LEU 3 H LEU 3 0.952 -11.571 1.046 16 HA LEU 3 HA LEU 3 1.026 -9.408 1.776 17 HB2 LEU 3 HB2 LEU 3 3.189 -10.497 2.921 18 HB3 LEU 3 HB3 LEU 3 4.071 -9.498 1.754 19 HG LEU 3 HG LEU 3 2.611 -7.497 2.721 20 HD11 LEU 3 HD11 LEU 3 1.882 -7.758 5.079 21 HD12 LEU 3 HD12 LEU 3 2.371 -9.473 5.076 22 HD13 LEU 3 HD13 LEU 3 1.002 -8.932 4.076 23 HD21 LEU 3 HD21 LEU 3 5.082 -7.703 3.074 24 HD22 LEU 3 HD22 LEU 3 4.798 -8.816 4.444 25 HD23 LEU 3 HD23 LEU 3 4.281 -7.105 4.548 26 H GLY 4 H GLY 4 0.836 -9.927 -1.068 27 HA2 GLY 4 HA2 GLY 4 2.602 -8.066 -2.423 28 HA3 GLY 4 HA3 GLY 4 1.167 -8.821 -3.119 29 HA PRO 5 HA PRO 5 -0.866 -4.973 -2.876 30 HB2 PRO 5 HB2 PRO 5 -3.493 -5.498 -2.056 31 HB3 PRO 5 HB3 PRO 5 -2.828 -6.049 -3.626 32 HG2 PRO 5 HG2 PRO 5 -2.930 -7.671 -1.039 33 HG3 PRO 5 HG3 PRO 5 -3.596 -8.150 -2.630 34 HD2 PRO 5 HD2 PRO 5 -1.140 -9.021 -1.887 35 HD3 PRO 5 HD3 PRO 5 -1.320 -8.392 -3.569 36 H LEU 6 H LEU 6 -0.857 -6.859 0.234 37 HA LEU 6 HA LEU 6 -1.869 -4.757 1.869 38 HB2 LEU 6 HB2 LEU 6 0.194 -6.957 2.445 39 HB3 LEU 6 HB3 LEU 6 -0.194 -5.726 3.660 40 HG LEU 6 HG LEU 6 -1.382 -7.839 4.067 41 HD11 LEU 6 HD11 LEU 6 -2.379 -5.664 4.858 42 HD12 LEU 6 HD12 LEU 6 -3.588 -6.942 4.575 43 HD13 LEU 6 HD13 LEU 6 -3.416 -5.620 3.402 44 HD21 LEU 6 HD21 LEU 6 -2.971 -7.321 1.485 45 HD22 LEU 6 HD22 LEU 6 -3.247 -8.636 2.656 46 HD23 LEU 6 HD23 LEU 6 -1.742 -8.613 1.702 47 H LEU 7 H LEU 7 1.549 -5.480 0.746 48 HA LEU 7 HA LEU 7 2.649 -3.187 2.021 49 HB2 LEU 7 HB2 LEU 7 3.437 -4.543 -0.620 50 HB3 LEU 7 HB3 LEU 7 4.378 -3.208 0.075 51 HG LEU 7 HG LEU 7 3.880 -5.821 1.598 52 HD11 LEU 7 HD11 LEU 7 6.308 -5.044 -0.130 53 HD12 LEU 7 HD12 LEU 7 5.125 -6.336 -0.502 54 HD13 LEU 7 HD13 LEU 7 6.198 -6.495 0.912 55 HD21 LEU 7 HD21 LEU 7 5.926 -3.550 2.024 56 HD22 LEU 7 HD22 LEU 7 5.889 -5.079 2.941 57 HD23 LEU 7 HD23 LEU 7 4.555 -3.926 3.105 58 H LYS 8 H LYS 8 1.114 -3.525 -1.309 59 HA LYS 8 HA LYS 8 1.816 -0.897 -2.026 60 HB2 LYS 8 HB2 LYS 8 0.994 -2.512 -3.668 61 HB3 LYS 8 HB3 LYS 8 -0.646 -2.477 -2.974 62 HG2 LYS 8 HG2 LYS 8 -1.024 -0.184 -3.592 63 HG3 LYS 8 HG3 LYS 8 0.690 0.116 -3.942 64 HD2 LYS 8 HD2 LYS 8 -1.022 -1.805 -5.622 65 HD3 LYS 8 HD3 LYS 8 -0.818 -0.069 -5.978 66 HE2 LYS 8 HE2 LYS 8 1.699 -0.396 -6.101 67 HE3 LYS 8 HE3 LYS 8 1.451 -2.155 -5.938 68 HZ1 LYS 8 HZ1 LYS 8 0.070 -2.120 -7.991 69 HZ2 LYS 8 HZ2 LYS 8 1.681 -1.526 -8.280 70 HZ3 LYS 8 HZ3 LYS 8 0.361 -0.405 -8.163 71 H ILE 9 H ILE 9 -1.149 -2.069 -0.222 72 HA ILE 9 HA ILE 9 -2.401 0.507 -0.245 73 HB ILE 9 HB ILE 9 -2.579 -1.620 1.965 74 HG12 ILE 9 HG12 ILE 9 -3.440 -2.698 -0.026 75 HG13 ILE 9 HG13 ILE 9 -4.819 -2.201 0.953 76 HG21 ILE 9 HG21 ILE 9 -3.274 0.595 2.819 77 HG22 ILE 9 HG22 ILE 9 -4.360 0.833 1.426 78 HG23 ILE 9 HG23 ILE 9 -4.701 -0.443 2.626 79 HD11 ILE 9 HD11 ILE 9 -5.295 -1.764 -1.410 80 HD12 ILE 9 HD12 ILE 9 -5.130 -0.184 -0.607 81 HD13 ILE 9 HD13 ILE 9 -3.800 -0.827 -1.619 82 H ALA 10 H ALA 10 -0.091 -1.034 2.157 83 HA ALA 10 HA ALA 10 -0.073 1.208 3.876 84 HB1 ALA 10 HB1 ALA 10 2.263 -0.725 3.282 85 HB2 ALA 10 HB2 ALA 10 2.144 0.379 4.685 86 HB3 ALA 10 HB3 ALA 10 0.981 -0.970 4.504 87 H ALA 11 H ALA 11 2.038 0.484 0.976 88 HA ALA 11 HA ALA 11 3.770 2.684 1.370 89 HB1 ALA 11 HB1 ALA 11 2.937 1.385 -1.311 90 HB2 ALA 11 HB2 ALA 11 4.343 2.462 -1.056 91 HB3 ALA 11 HB3 ALA 11 4.285 0.861 -0.256 92 H LYS 12 H LYS 12 0.717 2.405 -0.650 93 HA LYS 12 HA LYS 12 0.997 5.140 -1.547 94 HB2 LYS 12 HB2 LYS 12 -1.490 3.340 -1.547 95 HB3 LYS 12 HB3 LYS 12 -1.376 4.932 -2.330 96 HG2 LYS 12 HG2 LYS 12 0.270 2.425 -3.076 97 HG3 LYS 12 HG3 LYS 12 -1.139 3.073 -3.929 98 HD2 LYS 12 HD2 LYS 12 0.452 4.064 -5.283 99 HD3 LYS 12 HD3 LYS 12 0.406 5.318 -4.034 100 HE2 LYS 12 HE2 LYS 12 2.716 4.889 -4.508 101 HE3 LYS 12 HE3 LYS 12 2.468 4.064 -2.953 102 HZ1 LYS 12 HZ1 LYS 12 3.783 2.737 -4.556 103 HZ2 LYS 12 HZ2 LYS 12 2.447 2.690 -5.661 104 HZ3 LYS 12 HZ3 LYS 12 2.349 1.905 -4.107 105 H VAL 13 H VAL 13 -1.228 3.584 0.925 106 HA VAL 13 HA VAL 13 -2.476 6.028 1.554 107 HB VAL 13 HB VAL 13 -2.046 3.588 3.350 108 HG11 VAL 13 HG11 VAL 13 -2.330 5.566 4.842 109 HG12 VAL 13 HG12 VAL 13 -3.729 6.120 3.878 110 HG13 VAL 13 HG13 VAL 13 -3.829 4.612 4.835 111 HG21 VAL 13 HG21 VAL 13 -4.446 3.164 2.862 112 HG22 VAL 13 HG22 VAL 13 -4.549 4.648 1.877 113 HG23 VAL 13 HG23 VAL 13 -3.560 3.276 1.322 114 H GLY 14 H GLY 14 0.318 4.472 3.350 115 HA2 GLY 14 HA2 GLY 14 0.682 6.163 5.355 116 HA3 GLY 14 HA3 GLY 14 2.089 5.613 4.420 117 H SER 15 H1 SER 15 2.549 6.973 2.317 118 HA SER 15 HA SER 15 2.373 9.858 3.153 119 HB2 SER 15 HB2 SER 15 4.661 8.925 2.932 120 HB3 SER 15 HB3 SER 15 4.323 8.452 1.246 121 HG SER 15 HG SER 15 4.285 11.167 2.185 122 H ASN 16 H ASN 16 2.156 7.771 0.106 123 HA ASN 16 HA ASN 16 1.825 9.995 -1.518 124 HB2 ASN 16 HB2 ASN 16 2.170 7.474 -2.249 125 HB3 ASN 16 HB3 ASN 16 0.394 7.369 -2.205 126 HD21 ASN 16 HD21 ASN 16 3.170 9.306 -3.602 127 HD22 ASN 16 HD22 ASN 16 2.336 9.708 -5.057 128 H LEU 17 H LEU 17 -0.745 8.082 0.213 129 HA LEU 17 HA LEU 17 -2.689 10.246 -0.517 130 HB2 LEU 17 HB2 LEU 17 -2.897 8.087 -1.907 131 HB3 LEU 17 HB3 LEU 17 -3.175 7.222 -0.390 132 HG LEU 17 HG LEU 17 -5.252 8.780 -0.037 133 HD11 LEU 17 HD11 LEU 17 -4.728 9.415 -3.014 134 HD12 LEU 17 HD12 LEU 17 -4.687 10.600 -1.676 135 HD13 LEU 17 HD13 LEU 17 -6.215 9.811 -2.114 136 HD21 LEU 17 HD21 LEU 17 -5.464 6.397 -0.754 137 HD22 LEU 17 HD22 LEU 17 -5.218 6.880 -2.461 138 HD23 LEU 17 HD23 LEU 17 -6.679 7.413 -1.574 139 H LEU 18 H LEU 18 -1.198 10.620 1.654 140 HA LEU 18 HA LEU 18 -1.259 10.768 3.959 141 HB2 LEU 18 HB2 LEU 18 -3.251 12.115 2.769 142 HB3 LEU 18 HB3 LEU 18 -4.292 10.899 3.529 143 HG LEU 18 HG LEU 18 -4.280 12.858 4.925 144 HD11 LEU 18 HD11 LEU 18 -2.328 10.935 6.336 145 HD12 LEU 18 HD12 LEU 18 -4.094 10.672 6.191 146 HD13 LEU 18 HD13 LEU 18 -3.461 12.073 7.098 147 HD21 LEU 18 HD21 LEU 18 -2.221 13.971 4.034 148 HD22 LEU 18 HD22 LEU 18 -1.195 12.873 4.999 149 HD23 LEU 18 HD23 LEU 18 -2.294 14.009 5.814 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 3.021 -15.878 3.886 2 HA2 GLY 1 HA2 GLY 1 0.873 -15.661 2.633 3 HA3 GLY 1 HA3 GLY 1 0.694 -14.067 3.424 4 H LEU 2 H LEU 2 0.562 -14.022 0.678 5 HA LEU 2 HA LEU 2 3.192 -13.662 -0.523 6 HB2 LEU 2 HB2 LEU 2 0.484 -12.521 -1.429 7 HB3 LEU 2 HB3 LEU 2 1.982 -12.538 -2.393 8 HG LEU 2 HG LEU 2 0.363 -15.015 -1.505 9 HD11 LEU 2 HD11 LEU 2 -0.162 -15.242 -3.926 10 HD12 LEU 2 HD12 LEU 2 0.782 -13.770 -4.291 11 HD13 LEU 2 HD13 LEU 2 -0.714 -13.659 -3.319 12 HD21 LEU 2 HD21 LEU 2 2.956 -14.839 -3.160 13 HD22 LEU 2 HD22 LEU 2 1.927 -16.296 -3.053 14 HD23 LEU 2 HD23 LEU 2 2.742 -15.693 -1.599 15 H LEU 3 H LEU 3 0.745 -11.461 1.058 16 HA LEU 3 HA LEU 3 1.027 -9.325 1.852 17 HB2 LEU 3 HB2 LEU 3 3.361 -10.633 2.570 18 HB3 LEU 3 HB3 LEU 3 4.033 -9.403 1.491 19 HG LEU 3 HG LEU 3 2.676 -7.671 2.972 20 HD11 LEU 3 HD11 LEU 3 2.678 -10.123 4.862 21 HD12 LEU 3 HD12 LEU 3 1.225 -9.311 4.221 22 HD13 LEU 3 HD13 LEU 3 2.304 -8.459 5.355 23 HD21 LEU 3 HD21 LEU 3 4.534 -7.563 4.648 24 HD22 LEU 3 HD22 LEU 3 5.173 -7.877 3.017 25 HD23 LEU 3 HD23 LEU 3 5.049 -9.215 4.193 26 H GLY 4 H GLY 4 1.062 -9.998 -1.267 27 HA2 GLY 4 HA2 GLY 4 2.728 -8.004 -2.411 28 HA3 GLY 4 HA3 GLY 4 1.342 -8.754 -3.212 29 HA PRO 5 HA PRO 5 -0.797 -4.989 -2.970 30 HB2 PRO 5 HB2 PRO 5 -3.428 -5.542 -2.244 31 HB3 PRO 5 HB3 PRO 5 -2.699 -6.149 -3.765 32 HG2 PRO 5 HG2 PRO 5 -2.875 -7.662 -1.116 33 HG3 PRO 5 HG3 PRO 5 -3.475 -8.221 -2.706 34 HD2 PRO 5 HD2 PRO 5 -1.021 -9.007 -1.829 35 HD3 PRO 5 HD3 PRO 5 -1.176 -8.492 -3.553 36 H LEU 6 H LEU 6 -0.890 -6.866 0.174 37 HA LEU 6 HA LEU 6 -2.027 -4.782 1.680 38 HB2 LEU 6 HB2 LEU 6 -1.497 -7.135 2.580 39 HB3 LEU 6 HB3 LEU 6 0.215 -6.664 2.611 40 HG LEU 6 HG LEU 6 -0.512 -4.706 4.201 41 HD11 LEU 6 HD11 LEU 6 -3.006 -4.748 3.787 42 HD12 LEU 6 HD12 LEU 6 -2.645 -5.081 5.491 43 HD13 LEU 6 HD13 LEU 6 -3.073 -6.425 4.400 44 HD21 LEU 6 HD21 LEU 6 0.701 -6.663 5.040 45 HD22 LEU 6 HD22 LEU 6 -0.807 -7.623 5.140 46 HD23 LEU 6 HD23 LEU 6 -0.556 -6.217 6.217 47 H LEU 7 H LEU 7 1.460 -5.428 0.757 48 HA LEU 7 HA LEU 7 2.492 -3.144 2.120 49 HB2 LEU 7 HB2 LEU 7 3.412 -4.466 -0.500 50 HB3 LEU 7 HB3 LEU 7 4.326 -3.164 0.290 51 HG LEU 7 HG LEU 7 3.717 -5.840 1.677 52 HD11 LEU 7 HD11 LEU 7 6.234 -4.980 0.118 53 HD12 LEU 7 HD12 LEU 7 5.085 -6.266 -0.363 54 HD13 LEU 7 HD13 LEU 7 6.089 -6.471 1.094 55 HD21 LEU 7 HD21 LEU 7 4.290 -4.024 3.304 56 HD22 LEU 7 HD22 LEU 7 5.729 -3.596 2.334 57 HD23 LEU 7 HD23 LEU 7 5.638 -5.167 3.174 58 H LYS 8 H LYS 8 1.162 -3.514 -1.286 59 HA LYS 8 HA LYS 8 1.797 -0.896 -2.056 60 HB2 LYS 8 HB2 LYS 8 0.918 -2.600 -3.638 61 HB3 LYS 8 HB3 LYS 8 -0.691 -2.506 -2.859 62 HG2 LYS 8 HG2 LYS 8 -1.033 -0.208 -3.616 63 HG3 LYS 8 HG3 LYS 8 0.675 -0.045 -4.102 64 HD2 LYS 8 HD2 LYS 8 -0.762 -0.313 -6.086 65 HD3 LYS 8 HD3 LYS 8 0.387 -1.666 -5.944 66 HE2 LYS 8 HE2 LYS 8 -1.423 -3.148 -5.055 67 HE3 LYS 8 HE3 LYS 8 -2.570 -1.777 -5.068 68 HZ1 LYS 8 HZ1 LYS 8 -2.333 -1.652 -7.530 69 HZ2 LYS 8 HZ2 LYS 8 -2.843 -3.237 -7.037 70 HZ3 LYS 8 HZ3 LYS 8 -1.187 -2.967 -7.501 71 H ILE 9 H ILE 9 -1.121 -2.091 -0.198 72 HA ILE 9 HA ILE 9 -2.370 0.508 -0.205 73 HB ILE 9 HB ILE 9 -2.639 -1.723 1.884 74 HG12 ILE 9 HG12 ILE 9 -3.444 -2.623 -0.238 75 HG13 ILE 9 HG13 ILE 9 -4.822 -2.258 0.803 76 HG21 ILE 9 HG21 ILE 9 -3.313 0.431 2.867 77 HG22 ILE 9 HG22 ILE 9 -4.340 0.805 1.461 78 HG23 ILE 9 HG23 ILE 9 -4.765 -0.541 2.553 79 HD11 ILE 9 HD11 ILE 9 -5.223 -0.124 -0.550 80 HD12 ILE 9 HD12 ILE 9 -3.877 -0.602 -1.631 81 HD13 ILE 9 HD13 ILE 9 -5.329 -1.616 -1.511 82 H ALA 10 H ALA 10 -0.144 -1.170 2.189 83 HA ALA 10 HA ALA 10 -0.205 0.907 4.058 84 HB1 ALA 10 HB1 ALA 10 2.234 -0.850 3.357 85 HB2 ALA 10 HB2 ALA 10 2.021 0.096 4.856 86 HB3 ALA 10 HB3 ALA 10 0.931 -1.277 4.504 87 H ALA 11 H ALA 11 2.035 0.566 1.167 88 HA ALA 11 HA ALA 11 3.487 2.959 1.885 89 HB1 ALA 11 HB1 ALA 11 4.508 1.220 0.430 90 HB2 ALA 11 HB2 ALA 11 3.292 1.527 -0.842 91 HB3 ALA 11 HB3 ALA 11 4.467 2.803 -0.406 92 H LYS 12 H LYS 12 0.926 2.262 -0.647 93 HA LYS 12 HA LYS 12 0.865 4.854 -1.697 94 HB2 LYS 12 HB2 LYS 12 -0.293 2.954 -2.741 95 HB3 LYS 12 HB3 LYS 12 -1.445 2.844 -1.388 96 HG2 LYS 12 HG2 LYS 12 -1.180 5.458 -2.950 97 HG3 LYS 12 HG3 LYS 12 -2.069 4.136 -3.717 98 HD2 LYS 12 HD2 LYS 12 -2.909 4.923 -0.881 99 HD3 LYS 12 HD3 LYS 12 -3.343 5.965 -2.253 100 HE2 LYS 12 HE2 LYS 12 -5.169 4.425 -1.737 101 HE3 LYS 12 HE3 LYS 12 -4.543 4.149 -3.379 102 HZ1 LYS 12 HZ1 LYS 12 -5.047 2.059 -2.166 103 HZ2 LYS 12 HZ2 LYS 12 -3.880 2.458 -0.951 104 HZ3 LYS 12 HZ3 LYS 12 -3.386 2.129 -2.609 105 H VAL 13 H VAL 13 -0.988 3.478 1.123 106 HA VAL 13 HA VAL 13 -2.396 5.951 1.594 107 HB VAL 13 HB VAL 13 -1.856 3.567 3.439 108 HG11 VAL 13 HG11 VAL 13 -3.558 6.082 3.960 109 HG12 VAL 13 HG12 VAL 13 -3.597 4.593 4.949 110 HG13 VAL 13 HG13 VAL 13 -2.110 5.564 4.876 111 HG21 VAL 13 HG21 VAL 13 -4.424 4.542 2.019 112 HG22 VAL 13 HG22 VAL 13 -3.411 3.190 1.457 113 HG23 VAL 13 HG23 VAL 13 -4.255 3.076 3.023 114 H GLY 14 H GLY 14 0.489 4.447 3.282 115 HA2 GLY 14 HA2 GLY 14 1.026 6.160 5.192 116 HA3 GLY 14 HA3 GLY 14 2.354 5.618 4.144 117 H SER 15 H1 SER 15 2.689 7.010 2.038 118 HA SER 15 HA SER 15 2.677 9.848 3.007 119 HB2 SER 15 HB2 SER 15 4.353 8.514 0.823 120 HB3 SER 15 HB3 SER 15 4.515 10.193 1.404 121 HG SER 15 HG SER 15 5.051 9.208 3.524 122 H ASN 16 H ASN 16 2.144 7.984 -0.156 123 HA ASN 16 HA ASN 16 1.475 10.353 -1.531 124 HB2 ASN 16 HB2 ASN 16 0.573 7.479 -2.166 125 HB3 ASN 16 HB3 ASN 16 0.335 8.872 -3.239 126 HD21 ASN 16 HD21 ASN 16 2.835 6.566 -2.015 127 HD22 ASN 16 HD22 ASN 16 4.087 7.203 -3.007 128 H LEU 17 H LEU 17 -0.666 8.242 0.520 129 HA LEU 17 HA LEU 17 -2.691 10.420 0.237 130 HB2 LEU 17 HB2 LEU 17 -3.074 8.482 -1.449 131 HB3 LEU 17 HB3 LEU 17 -3.256 7.424 -0.041 132 HG LEU 17 HG LEU 17 -5.225 9.011 0.695 133 HD11 LEU 17 HD11 LEU 17 -4.964 9.924 -2.245 134 HD12 LEU 17 HD12 LEU 17 -4.719 10.965 -0.813 135 HD13 LEU 17 HD13 LEU 17 -6.329 10.292 -1.153 136 HD21 LEU 17 HD21 LEU 17 -5.510 7.381 -1.904 137 HD22 LEU 17 HD22 LEU 17 -6.846 7.852 -0.816 138 HD23 LEU 17 HD23 LEU 17 -5.595 6.719 -0.246 139 H LEU 18 H LEU 18 -1.075 10.508 2.323 140 HA LEU 18 HA LEU 18 -0.977 10.271 4.649 141 HB2 LEU 18 HB2 LEU 18 -3.995 10.519 4.115 142 HB3 LEU 18 HB3 LEU 18 -3.234 10.826 5.692 143 HG LEU 18 HG LEU 18 -2.592 12.432 3.134 144 HD11 LEU 18 HD11 LEU 18 -4.475 13.151 5.466 145 HD12 LEU 18 HD12 LEU 18 -4.975 12.771 3.790 146 HD13 LEU 18 HD13 LEU 18 -4.019 14.238 4.121 147 HD21 LEU 18 HD21 LEU 18 -1.907 12.950 6.107 148 HD22 LEU 18 HD22 LEU 18 -1.626 14.108 4.779 149 HD23 LEU 18 HD23 LEU 18 -0.732 12.578 4.811 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -1.994 -13.936 -1.478 2 HA2 GLY 1 HA2 GLY 1 0.741 -14.124 -2.646 3 HA3 GLY 1 HA3 GLY 1 -0.057 -12.560 -2.303 4 H LEU 2 H LEU 2 2.484 -13.152 -1.130 5 HA LEU 2 HA LEU 2 1.940 -14.124 1.621 6 HB2 LEU 2 HB2 LEU 2 4.498 -13.075 0.292 7 HB3 LEU 2 HB3 LEU 2 4.336 -13.383 2.036 8 HG LEU 2 HG LEU 2 3.825 -15.776 1.634 9 HD11 LEU 2 HD11 LEU 2 4.197 -15.121 -1.358 10 HD12 LEU 2 HD12 LEU 2 2.702 -15.735 -0.582 11 HD13 LEU 2 HD13 LEU 2 4.138 -16.772 -0.679 12 HD21 LEU 2 HD21 LEU 2 6.090 -16.470 0.856 13 HD22 LEU 2 HD22 LEU 2 6.206 -15.048 1.927 14 HD23 LEU 2 HD23 LEU 2 6.369 -14.848 0.157 15 H LEU 3 H LEU 3 3.229 -11.011 0.103 16 HA LEU 3 HA LEU 3 1.372 -9.519 1.863 17 HB2 LEU 3 HB2 LEU 3 3.683 -10.131 3.068 18 HB3 LEU 3 HB3 LEU 3 4.400 -9.020 1.891 19 HG LEU 3 HG LEU 3 2.639 -7.266 2.855 20 HD11 LEU 3 HD11 LEU 3 1.874 -7.658 5.179 21 HD12 LEU 3 HD12 LEU 3 2.640 -9.270 5.201 22 HD13 LEU 3 HD13 LEU 3 1.244 -8.962 4.148 23 HD21 LEU 3 HD21 LEU 3 5.135 -7.168 3.299 24 HD22 LEU 3 HD22 LEU 3 4.919 -8.269 4.684 25 HD23 LEU 3 HD23 LEU 3 4.187 -6.636 4.713 26 H GLY 4 H GLY 4 1.168 -9.865 -0.893 27 HA2 GLY 4 HA2 GLY 4 2.778 -7.934 -2.307 28 HA3 GLY 4 HA3 GLY 4 1.379 -8.780 -2.962 29 HA PRO 5 HA PRO 5 -0.767 -4.982 -2.880 30 HB2 PRO 5 HB2 PRO 5 -3.398 -5.573 -2.143 31 HB3 PRO 5 HB3 PRO 5 -2.656 -6.175 -3.659 32 HG2 PRO 5 HG2 PRO 5 -2.808 -7.676 -0.999 33 HG3 PRO 5 HG3 PRO 5 -3.397 -8.251 -2.589 34 HD2 PRO 5 HD2 PRO 5 -0.923 -8.995 -1.713 35 HD3 PRO 5 HD3 PRO 5 -1.091 -8.474 -3.436 36 H LEU 6 H LEU 6 -0.852 -6.814 0.261 37 HA LEU 6 HA LEU 6 -1.942 -4.685 1.802 38 HB2 LEU 6 HB2 LEU 6 0.078 -6.879 2.522 39 HB3 LEU 6 HB3 LEU 6 -0.577 -5.764 3.737 40 HG LEU 6 HG LEU 6 -2.458 -7.464 1.985 41 HD11 LEU 6 HD11 LEU 6 -2.563 -9.121 3.878 42 HD12 LEU 6 HD12 LEU 6 -1.212 -8.268 4.682 43 HD13 LEU 6 HD13 LEU 6 -0.966 -9.075 3.098 44 HD21 LEU 6 HD21 LEU 6 -3.542 -5.557 3.249 45 HD22 LEU 6 HD22 LEU 6 -2.831 -6.171 4.766 46 HD23 LEU 6 HD23 LEU 6 -4.054 -7.129 3.888 47 H LEU 7 H LEU 7 1.523 -5.381 0.802 48 HA LEU 7 HA LEU 7 2.543 -3.062 2.127 49 HB2 LEU 7 HB2 LEU 7 3.427 -4.389 -0.501 50 HB3 LEU 7 HB3 LEU 7 4.288 -2.998 0.185 51 HG LEU 7 HG LEU 7 3.917 -5.615 1.722 52 HD11 LEU 7 HD11 LEU 7 5.229 -6.056 -0.366 53 HD12 LEU 7 HD12 LEU 7 6.279 -6.162 1.068 54 HD13 LEU 7 HD13 LEU 7 6.329 -4.704 0.035 55 HD21 LEU 7 HD21 LEU 7 4.460 -3.708 3.242 56 HD22 LEU 7 HD22 LEU 7 5.793 -3.203 2.167 57 HD23 LEU 7 HD23 LEU 7 5.893 -4.733 3.074 58 H LYS 8 H LYS 8 1.136 -3.470 -1.255 59 HA LYS 8 HA LYS 8 1.771 -0.847 -1.978 60 HB2 LYS 8 HB2 LYS 8 0.993 -2.506 -3.605 61 HB3 LYS 8 HB3 LYS 8 -0.654 -2.471 -2.943 62 HG2 LYS 8 HG2 LYS 8 -1.137 -0.307 -3.744 63 HG3 LYS 8 HG3 LYS 8 0.558 0.207 -3.821 64 HD2 LYS 8 HD2 LYS 8 -0.542 -1.929 -5.730 65 HD3 LYS 8 HD3 LYS 8 -0.612 -0.182 -6.084 66 HE2 LYS 8 HE2 LYS 8 1.864 0.022 -5.892 67 HE3 LYS 8 HE3 LYS 8 2.013 -1.718 -5.547 68 HZ1 LYS 8 HZ1 LYS 8 0.905 -0.520 -8.102 69 HZ2 LYS 8 HZ2 LYS 8 1.048 -2.227 -7.755 70 HZ3 LYS 8 HZ3 LYS 8 2.474 -1.238 -7.894 71 H ILE 9 H ILE 9 -1.180 -2.006 -0.140 72 HA ILE 9 HA ILE 9 -2.411 0.610 -0.274 73 HB ILE 9 HB ILE 9 -2.760 -1.488 1.941 74 HG12 ILE 9 HG12 ILE 9 -3.476 -2.616 -0.069 75 HG13 ILE 9 HG13 ILE 9 -4.927 -2.066 0.772 76 HG21 ILE 9 HG21 ILE 9 -3.482 0.764 2.673 77 HG22 ILE 9 HG22 ILE 9 -4.468 0.969 1.206 78 HG23 ILE 9 HG23 ILE 9 -4.906 -0.266 2.418 79 HD11 ILE 9 HD11 ILE 9 -5.188 -1.699 -1.637 80 HD12 ILE 9 HD12 ILE 9 -5.067 -0.095 -0.870 81 HD13 ILE 9 HD13 ILE 9 -3.664 -0.790 -1.744 82 H ALA 10 H ALA 10 -0.275 -1.020 2.226 83 HA ALA 10 HA ALA 10 -0.319 1.153 4.004 84 HB1 ALA 10 HB1 ALA 10 2.032 -0.776 3.476 85 HB2 ALA 10 HB2 ALA 10 1.842 0.267 4.915 86 HB3 ALA 10 HB3 ALA 10 0.678 -1.056 4.608 87 H ALA 11 H ALA 11 2.008 0.528 1.246 88 HA ALA 11 HA ALA 11 3.567 2.872 1.886 89 HB1 ALA 11 HB1 ALA 11 4.662 2.483 -0.322 90 HB2 ALA 11 HB2 ALA 11 4.539 0.960 0.610 91 HB3 ALA 11 HB3 ALA 11 3.418 1.270 -0.747 92 H LYS 12 H LYS 12 0.996 2.161 -0.640 93 HA LYS 12 HA LYS 12 1.328 4.662 -1.904 94 HB2 LYS 12 HB2 LYS 12 0.068 2.756 -2.943 95 HB3 LYS 12 HB3 LYS 12 -1.227 2.948 -1.736 96 HG2 LYS 12 HG2 LYS 12 -1.940 3.952 -3.823 97 HG3 LYS 12 HG3 LYS 12 -1.722 5.259 -2.635 98 HD2 LYS 12 HD2 LYS 12 0.454 5.894 -3.699 99 HD3 LYS 12 HD3 LYS 12 0.369 4.466 -4.770 100 HE2 LYS 12 HE2 LYS 12 -1.713 5.416 -5.834 101 HE3 LYS 12 HE3 LYS 12 -1.604 6.836 -4.754 102 HZ1 LYS 12 HZ1 LYS 12 0.599 7.384 -5.756 103 HZ2 LYS 12 HZ2 LYS 12 -0.643 7.304 -6.973 104 HZ3 LYS 12 HZ3 LYS 12 0.484 5.991 -6.801 105 H VAL 13 H VAL 13 -1.040 3.612 0.688 106 HA VAL 13 HA VAL 13 -2.223 6.263 0.786 107 HB VAL 13 HB VAL 13 -2.371 3.959 2.818 108 HG11 VAL 13 HG11 VAL 13 -2.817 6.137 3.963 109 HG12 VAL 13 HG12 VAL 13 -3.969 6.596 2.677 110 HG13 VAL 13 HG13 VAL 13 -4.332 5.228 3.768 111 HG21 VAL 13 HG21 VAL 13 -4.653 3.601 1.870 112 HG22 VAL 13 HG22 VAL 13 -4.400 4.921 0.695 113 HG23 VAL 13 HG23 VAL 13 -3.436 3.425 0.582 114 H GLY 14 H GLY 14 0.166 4.431 2.899 115 HA2 GLY 14 HA2 GLY 14 0.490 6.403 4.826 116 HA3 GLY 14 HA3 GLY 14 1.810 5.324 4.312 117 H SER 15 H1 SER 15 2.318 6.088 1.655 118 HA SER 15 HA SER 15 3.876 8.453 2.164 119 HB2 SER 15 HB2 SER 15 4.599 6.760 0.497 120 HB3 SER 15 HB3 SER 15 3.184 7.145 -0.532 121 HG SER 15 HG SER 15 5.107 8.414 -1.148 122 H ASN 16 H ASN 16 0.858 7.869 0.145 123 HA ASN 16 HA ASN 16 0.793 10.498 -0.871 124 HB2 ASN 16 HB2 ASN 16 -0.615 8.712 -1.848 125 HB3 ASN 16 HB3 ASN 16 -1.559 8.577 -0.350 126 HD21 ASN 16 HD21 ASN 16 -0.648 10.985 -2.964 127 HD22 ASN 16 HD22 ASN 16 -2.120 11.873 -2.834 128 H LEU 17 H LEU 17 -1.061 9.130 1.976 129 HA LEU 17 HA LEU 17 -1.841 11.928 2.674 130 HB2 LEU 17 HB2 LEU 17 -3.532 10.185 2.250 131 HB3 LEU 17 HB3 LEU 17 -2.970 9.238 3.639 132 HG LEU 17 HG LEU 17 -4.066 12.123 3.809 133 HD11 LEU 17 HD11 LEU 17 -6.165 11.070 4.685 134 HD12 LEU 17 HD12 LEU 17 -5.471 9.445 4.412 135 HD13 LEU 17 HD13 LEU 17 -5.824 10.521 3.027 136 HD21 LEU 17 HD21 LEU 17 -3.400 10.056 6.009 137 HD22 LEU 17 HD22 LEU 17 -4.348 11.543 6.286 138 HD23 LEU 17 HD23 LEU 17 -2.655 11.668 5.795 139 H LEU 18 H LEU 18 -0.709 8.866 4.415 140 HA LEU 18 HA LEU 18 0.637 8.669 6.259 141 HB2 LEU 18 HB2 LEU 18 2.034 10.529 4.873 142 HB3 LEU 18 HB3 LEU 18 1.541 11.579 6.213 143 HG LEU 18 HG LEU 18 3.067 8.910 6.473 144 HD11 LEU 18 HD11 LEU 18 5.010 10.332 7.124 145 HD12 LEU 18 HD12 LEU 18 4.040 11.809 6.860 146 HD13 LEU 18 HD13 LEU 18 4.450 10.746 5.484 147 HD21 LEU 18 HD21 LEU 18 2.271 10.960 8.645 148 HD22 LEU 18 HD22 LEU 18 3.379 9.581 8.893 149 HD23 LEU 18 HD23 LEU 18 1.671 9.280 8.513 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -2.468 -13.994 -1.962 2 HA2 GLY 1 HA2 GLY 1 -0.028 -14.435 -2.170 3 HA3 GLY 1 HA3 GLY 1 -0.336 -12.673 -2.030 4 H LEU 2 H LEU 2 2.190 -13.677 -1.218 5 HA LEU 2 HA LEU 2 2.188 -14.332 1.572 6 HB2 LEU 2 HB2 LEU 2 4.173 -14.843 0.280 7 HB3 LEU 2 HB3 LEU 2 4.379 -13.155 -0.223 8 HG LEU 2 HG LEU 2 4.893 -12.464 2.121 9 HD11 LEU 2 HD11 LEU 2 3.642 -14.154 3.454 10 HD12 LEU 2 HD12 LEU 2 5.367 -14.256 3.860 11 HD13 LEU 2 HD13 LEU 2 4.641 -15.472 2.771 12 HD21 LEU 2 HD21 LEU 2 7.146 -13.532 2.251 13 HD22 LEU 2 HD22 LEU 2 6.745 -13.113 0.566 14 HD23 LEU 2 HD23 LEU 2 6.621 -14.810 1.115 15 H LEU 3 H LEU 3 3.102 -11.154 -0.073 16 HA LEU 3 HA LEU 3 1.343 -9.741 1.783 17 HB2 LEU 3 HB2 LEU 3 3.633 -10.311 3.041 18 HB3 LEU 3 HB3 LEU 3 4.369 -9.197 1.880 19 HG LEU 3 HG LEU 3 2.588 -7.449 2.799 20 HD11 LEU 3 HD11 LEU 3 1.743 -7.846 5.094 21 HD12 LEU 3 HD12 LEU 3 2.480 -9.473 5.123 22 HD13 LEU 3 HD13 LEU 3 1.130 -9.124 4.021 23 HD21 LEU 3 HD21 LEU 3 5.068 -7.365 3.342 24 HD22 LEU 3 HD22 LEU 3 4.793 -8.475 4.706 25 HD23 LEU 3 HD23 LEU 3 4.070 -6.839 4.721 26 H GLY 4 H GLY 4 1.063 -9.931 -0.915 27 HA2 GLY 4 HA2 GLY 4 2.717 -8.014 -2.313 28 HA3 GLY 4 HA3 GLY 4 1.302 -8.823 -2.972 29 HA PRO 5 HA PRO 5 -0.759 -4.987 -2.813 30 HB2 PRO 5 HB2 PRO 5 -3.406 -5.542 -2.096 31 HB3 PRO 5 HB3 PRO 5 -2.672 -6.098 -3.633 32 HG2 PRO 5 HG2 PRO 5 -2.861 -7.701 -1.039 33 HG3 PRO 5 HG3 PRO 5 -3.452 -8.201 -2.651 34 HD2 PRO 5 HD2 PRO 5 -1.002 -9.027 -1.786 35 HD3 PRO 5 HD3 PRO 5 -1.142 -8.432 -3.487 36 H LEU 6 H LEU 6 -0.860 -6.865 0.296 37 HA LEU 6 HA LEU 6 -1.957 -4.762 1.879 38 HB2 LEU 6 HB2 LEU 6 -0.044 -7.064 2.555 39 HB3 LEU 6 HB3 LEU 6 -0.393 -5.788 3.739 40 HG LEU 6 HG LEU 6 -2.793 -6.241 3.710 41 HD11 LEU 6 HD11 LEU 6 -3.179 -6.989 1.374 42 HD12 LEU 6 HD12 LEU 6 -3.753 -8.237 2.498 43 HD13 LEU 6 HD13 LEU 6 -2.198 -8.465 1.654 44 HD21 LEU 6 HD21 LEU 6 -1.269 -8.893 4.045 45 HD22 LEU 6 HD22 LEU 6 -2.795 -8.430 4.840 46 HD23 LEU 6 HD23 LEU 6 -1.284 -7.578 5.260 47 H LEU 7 H LEU 7 1.528 -5.445 0.921 48 HA LEU 7 HA LEU 7 2.505 -3.091 2.214 49 HB2 LEU 7 HB2 LEU 7 3.462 -4.477 -0.361 50 HB3 LEU 7 HB3 LEU 7 4.316 -3.083 0.335 51 HG LEU 7 HG LEU 7 3.872 -5.681 1.886 52 HD11 LEU 7 HD11 LEU 7 5.246 -6.161 -0.144 53 HD12 LEU 7 HD12 LEU 7 6.265 -6.237 1.314 54 HD13 LEU 7 HD13 LEU 7 6.334 -4.799 0.255 55 HD21 LEU 7 HD21 LEU 7 5.772 -3.293 2.368 56 HD22 LEU 7 HD22 LEU 7 5.792 -4.811 3.304 57 HD23 LEU 7 HD23 LEU 7 4.382 -3.743 3.396 58 H LYS 8 H LYS 8 1.197 -3.583 -1.179 59 HA LYS 8 HA LYS 8 1.943 -1.014 -2.002 60 HB2 LYS 8 HB2 LYS 8 1.123 -2.875 -3.496 61 HB3 LYS 8 HB3 LYS 8 -0.554 -2.507 -3.001 62 HG2 LYS 8 HG2 LYS 8 -0.371 -0.229 -3.968 63 HG3 LYS 8 HG3 LYS 8 1.365 -0.470 -4.313 64 HD2 LYS 8 HD2 LYS 8 0.798 -2.389 -5.847 65 HD3 LYS 8 HD3 LYS 8 -0.938 -2.053 -5.619 66 HE2 LYS 8 HE2 LYS 8 1.127 -0.057 -6.777 67 HE3 LYS 8 HE3 LYS 8 0.098 -1.128 -7.761 68 HZ1 LYS 8 HZ1 LYS 8 -1.918 -0.046 -6.853 69 HZ2 LYS 8 HZ2 LYS 8 -0.871 1.092 -7.653 70 HZ3 LYS 8 HZ3 LYS 8 -0.937 1.056 -5.928 71 H ILE 9 H ILE 9 -1.107 -2.043 -0.280 72 HA ILE 9 HA ILE 9 -2.308 0.575 -0.516 73 HB ILE 9 HB ILE 9 -2.734 -1.532 1.678 74 HG12 ILE 9 HG12 ILE 9 -3.434 -2.541 -0.433 75 HG13 ILE 9 HG13 ILE 9 -4.860 -2.100 0.512 76 HG21 ILE 9 HG21 ILE 9 -4.367 0.990 1.015 77 HG22 ILE 9 HG22 ILE 9 -4.872 -0.283 2.159 78 HG23 ILE 9 HG23 ILE 9 -3.426 0.689 2.497 79 HD11 ILE 9 HD11 ILE 9 -5.157 -0.043 -0.984 80 HD12 ILE 9 HD12 ILE 9 -3.760 -0.601 -1.957 81 HD13 ILE 9 HD13 ILE 9 -5.233 -1.592 -1.857 82 H ALA 10 H ALA 10 -0.299 -1.004 2.125 83 HA ALA 10 HA ALA 10 -0.407 1.235 3.827 84 HB1 ALA 10 HB1 ALA 10 1.698 0.360 4.868 85 HB2 ALA 10 HB2 ALA 10 0.537 -0.962 4.555 86 HB3 ALA 10 HB3 ALA 10 1.944 -0.737 3.477 87 H ALA 11 H ALA 11 1.972 0.495 1.158 88 HA ALA 11 HA ALA 11 3.661 2.718 1.757 89 HB1 ALA 11 HB1 ALA 11 4.403 0.823 0.301 90 HB2 ALA 11 HB2 ALA 11 3.214 1.292 -0.950 91 HB3 ALA 11 HB3 ALA 11 4.573 2.386 -0.555 92 H LYS 12 H LYS 12 0.845 2.333 -0.551 93 HA LYS 12 HA LYS 12 1.332 4.985 -1.649 94 HB2 LYS 12 HB2 LYS 12 -1.102 3.127 -1.867 95 HB3 LYS 12 HB3 LYS 12 -0.931 4.646 -2.775 96 HG2 LYS 12 HG2 LYS 12 1.131 2.361 -2.970 97 HG3 LYS 12 HG3 LYS 12 -0.298 2.469 -4.021 98 HD2 LYS 12 HD2 LYS 12 0.429 4.662 -4.896 99 HD3 LYS 12 HD3 LYS 12 1.888 4.649 -3.877 100 HE2 LYS 12 HE2 LYS 12 1.272 2.550 -6.043 101 HE3 LYS 12 HE3 LYS 12 2.306 3.982 -6.260 102 HZ1 LYS 12 HZ1 LYS 12 3.710 2.084 -5.823 103 HZ2 LYS 12 HZ2 LYS 12 2.874 1.663 -4.381 104 HZ3 LYS 12 HZ3 LYS 12 3.798 3.140 -4.448 105 H VAL 13 H VAL 13 -1.138 3.639 0.703 106 HA VAL 13 HA VAL 13 -2.399 6.209 1.003 107 HB VAL 13 HB VAL 13 -2.298 3.825 2.942 108 HG11 VAL 13 HG11 VAL 13 -4.228 4.965 4.114 109 HG12 VAL 13 HG12 VAL 13 -2.722 5.899 4.261 110 HG13 VAL 13 HG13 VAL 13 -3.976 6.413 3.096 111 HG21 VAL 13 HG21 VAL 13 -4.633 3.421 2.154 112 HG22 VAL 13 HG22 VAL 13 -4.546 4.843 1.077 113 HG23 VAL 13 HG23 VAL 13 -3.533 3.412 0.751 114 H GLY 14 H GLY 14 0.232 4.488 2.903 115 HA2 GLY 14 HA2 GLY 14 0.561 6.487 4.840 116 HA3 GLY 14 HA3 GLY 14 1.876 5.432 4.272 117 H SER 15 H1 SER 15 2.474 6.100 1.720 118 HA SER 15 HA SER 15 3.927 8.500 2.097 119 HB2 SER 15 HB2 SER 15 4.588 6.782 0.432 120 HB3 SER 15 HB3 SER 15 3.175 7.170 -0.587 121 HG SER 15 HG SER 15 4.155 9.343 -0.795 122 H ASN 16 H ASN 16 0.877 7.919 0.153 123 HA ASN 16 HA ASN 16 0.735 10.538 -0.851 124 HB2 ASN 16 HB2 ASN 16 -0.729 8.714 -1.718 125 HB3 ASN 16 HB3 ASN 16 -1.597 8.636 -0.165 126 HD21 ASN 16 HD21 ASN 16 -0.797 10.949 -2.902 127 HD22 ASN 16 HD22 ASN 16 -2.256 11.854 -2.729 128 H LEU 17 H LEU 17 -0.814 9.158 2.153 129 HA LEU 17 HA LEU 17 -1.721 11.931 2.813 130 HB2 LEU 17 HB2 LEU 17 -3.488 10.259 2.471 131 HB3 LEU 17 HB3 LEU 17 -2.750 9.174 3.667 132 HG LEU 17 HG LEU 17 -3.161 10.856 5.489 133 HD11 LEU 17 HD11 LEU 17 -4.609 12.444 3.270 134 HD12 LEU 17 HD12 LEU 17 -3.221 13.011 4.246 135 HD13 LEU 17 HD13 LEU 17 -4.795 12.755 5.019 136 HD21 LEU 17 HD21 LEU 17 -5.632 10.485 5.608 137 HD22 LEU 17 HD22 LEU 17 -4.798 9.017 5.039 138 HD23 LEU 17 HD23 LEU 17 -5.661 10.060 3.872 139 H LEU 18 H LEU 18 -0.482 8.908 4.547 140 HA LEU 18 HA LEU 18 0.657 8.744 6.532 141 HB2 LEU 18 HB2 LEU 18 2.225 10.377 5.166 142 HB3 LEU 18 HB3 LEU 18 1.635 11.632 6.270 143 HG LEU 18 HG LEU 18 3.053 9.008 7.072 144 HD11 LEU 18 HD11 LEU 18 4.960 10.486 7.708 145 HD12 LEU 18 HD12 LEU 18 4.054 11.921 7.148 146 HD13 LEU 18 HD13 LEU 18 4.572 10.673 5.978 147 HD21 LEU 18 HD21 LEU 18 2.073 11.343 8.838 148 HD22 LEU 18 HD22 LEU 18 3.161 10.038 9.392 149 HD23 LEU 18 HD23 LEU 18 1.501 9.649 8.902 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 3.014 -15.450 4.924 2 HA2 GLY 1 HA2 GLY 1 1.658 -15.524 2.838 3 HA3 GLY 1 HA3 GLY 1 1.526 -13.913 3.616 4 H LEU 2 H LEU 2 1.019 -13.929 0.914 5 HA LEU 2 HA LEU 2 3.351 -13.672 -0.696 6 HB2 LEU 2 HB2 LEU 2 1.100 -13.887 -1.727 7 HB3 LEU 2 HB3 LEU 2 0.599 -12.338 -0.998 8 HG LEU 2 HG LEU 2 2.290 -11.111 -2.400 9 HD11 LEU 2 HD11 LEU 2 2.844 -13.872 -3.655 10 HD12 LEU 2 HD12 LEU 2 4.027 -12.844 -2.791 11 HD13 LEU 2 HD13 LEU 2 3.372 -12.313 -4.350 12 HD21 LEU 2 HD21 LEU 2 0.387 -12.895 -4.031 13 HD22 LEU 2 HD22 LEU 2 1.081 -11.336 -4.562 14 HD23 LEU 2 HD23 LEU 2 -0.066 -11.379 -3.201 15 H LEU 3 H LEU 3 1.411 -11.237 1.237 16 HA LEU 3 HA LEU 3 1.898 -9.008 1.738 17 HB2 LEU 3 HB2 LEU 3 4.669 -10.310 1.787 18 HB3 LEU 3 HB3 LEU 3 4.525 -8.551 1.867 19 HG LEU 3 HG LEU 3 3.077 -8.691 3.877 20 HD11 LEU 3 HD11 LEU 3 2.855 -10.898 5.104 21 HD12 LEU 3 HD12 LEU 3 3.550 -11.735 3.687 22 HD13 LEU 3 HD13 LEU 3 1.970 -10.901 3.566 23 HD21 LEU 3 HD21 LEU 3 5.566 -8.491 4.124 24 HD22 LEU 3 HD22 LEU 3 5.708 -10.272 4.154 25 HD23 LEU 3 HD23 LEU 3 4.851 -9.416 5.468 26 H GLY 4 H GLY 4 0.844 -9.347 -0.597 27 HA2 GLY 4 HA2 GLY 4 2.609 -7.954 -2.594 28 HA3 GLY 4 HA3 GLY 4 1.163 -8.881 -2.966 29 HA PRO 5 HA PRO 5 -0.853 -4.941 -2.903 30 HB2 PRO 5 HB2 PRO 5 -3.500 -5.508 -2.214 31 HB3 PRO 5 HB3 PRO 5 -2.757 -6.072 -3.745 32 HG2 PRO 5 HG2 PRO 5 -2.940 -7.656 -1.136 33 HG3 PRO 5 HG3 PRO 5 -3.545 -8.171 -2.740 34 HD2 PRO 5 HD2 PRO 5 -1.094 -8.997 -1.901 35 HD3 PRO 5 HD3 PRO 5 -1.243 -8.399 -3.599 36 H LEU 6 H LEU 6 -0.921 -6.839 0.187 37 HA LEU 6 HA LEU 6 -1.984 -4.750 1.813 38 HB2 LEU 6 HB2 LEU 6 0.143 -6.902 2.396 39 HB3 LEU 6 HB3 LEU 6 -0.278 -5.681 3.609 40 HG LEU 6 HG LEU 6 -1.421 -7.827 4.007 41 HD11 LEU 6 HD11 LEU 6 -3.477 -5.611 3.393 42 HD12 LEU 6 HD12 LEU 6 -2.429 -5.666 4.838 43 HD13 LEU 6 HD13 LEU 6 -3.634 -6.945 4.555 44 HD21 LEU 6 HD21 LEU 6 -1.809 -8.583 1.651 45 HD22 LEU 6 HD22 LEU 6 -3.045 -7.295 1.447 46 HD23 LEU 6 HD23 LEU 6 -3.308 -8.613 2.616 47 H LEU 7 H LEU 7 1.353 -5.333 0.498 48 HA LEU 7 HA LEU 7 2.410 -3.030 1.908 49 HB2 LEU 7 HB2 LEU 7 3.450 -4.703 -0.433 50 HB3 LEU 7 HB3 LEU 7 4.260 -3.203 0.036 51 HG LEU 7 HG LEU 7 5.253 -5.326 1.017 52 HD11 LEU 7 HD11 LEU 7 5.768 -3.067 1.965 53 HD12 LEU 7 HD12 LEU 7 5.791 -4.346 3.204 54 HD13 LEU 7 HD13 LEU 7 4.412 -3.224 3.115 55 HD21 LEU 7 HD21 LEU 7 4.220 -6.349 3.024 56 HD22 LEU 7 HD22 LEU 7 3.123 -6.517 1.629 57 HD23 LEU 7 HD23 LEU 7 2.795 -5.300 2.894 58 H LYS 8 H LYS 8 0.980 -3.493 -1.442 59 HA LYS 8 HA LYS 8 1.574 -0.908 -2.339 60 HB2 LYS 8 HB2 LYS 8 0.368 -2.583 -3.758 61 HB3 LYS 8 HB3 LYS 8 -1.117 -2.346 -2.789 62 HG2 LYS 8 HG2 LYS 8 -1.042 0.141 -3.399 63 HG3 LYS 8 HG3 LYS 8 0.320 -0.216 -4.488 64 HD2 LYS 8 HD2 LYS 8 -2.581 -1.274 -4.707 65 HD3 LYS 8 HD3 LYS 8 -1.816 0.000 -5.679 66 HE2 LYS 8 HE2 LYS 8 -1.547 -1.721 -7.199 67 HE3 LYS 8 HE3 LYS 8 -0.059 -2.005 -6.274 68 HZ1 LYS 8 HZ1 LYS 8 -1.294 -4.086 -6.652 69 HZ2 LYS 8 HZ2 LYS 8 -2.742 -3.421 -5.964 70 HZ3 LYS 8 HZ3 LYS 8 -1.372 -3.744 -4.958 71 H ILE 9 H ILE 9 -1.223 -2.029 -0.246 72 HA ILE 9 HA ILE 9 -2.342 0.612 -0.100 73 HB ILE 9 HB ILE 9 -2.631 -1.639 1.966 74 HG12 ILE 9 HG12 ILE 9 -3.501 -2.643 -0.035 75 HG13 ILE 9 HG13 ILE 9 -4.905 -2.028 0.831 76 HG21 ILE 9 HG21 ILE 9 -3.289 0.595 2.861 77 HG22 ILE 9 HG22 ILE 9 -4.390 0.837 1.478 78 HG23 ILE 9 HG23 ILE 9 -4.708 -0.451 2.664 79 HD11 ILE 9 HD11 ILE 9 -5.151 -1.554 -1.559 80 HD12 ILE 9 HD12 ILE 9 -4.906 0.011 -0.741 81 HD13 ILE 9 HD13 ILE 9 -3.564 -0.758 -1.647 82 H ALA 10 H ALA 10 -0.058 -1.200 2.140 83 HA ALA 10 HA ALA 10 -0.055 0.784 4.107 84 HB1 ALA 10 HB1 ALA 10 2.179 -0.064 4.820 85 HB2 ALA 10 HB2 ALA 10 1.083 -1.421 4.421 86 HB3 ALA 10 HB3 ALA 10 2.365 -0.937 3.274 87 H ALA 11 H ALA 11 2.226 0.524 1.235 88 HA ALA 11 HA ALA 11 3.607 2.936 2.013 89 HB1 ALA 11 HB1 ALA 11 3.514 1.535 -0.734 90 HB2 ALA 11 HB2 ALA 11 4.657 2.821 -0.248 91 HB3 ALA 11 HB3 ALA 11 4.697 1.231 0.570 92 H LYS 12 H LYS 12 1.106 2.209 -0.563 93 HA LYS 12 HA LYS 12 1.106 4.786 -1.655 94 HB2 LYS 12 HB2 LYS 12 -0.031 2.815 -2.681 95 HB3 LYS 12 HB3 LYS 12 -1.299 2.866 -1.423 96 HG2 LYS 12 HG2 LYS 12 -2.004 5.126 -2.204 97 HG3 LYS 12 HG3 LYS 12 -0.694 5.138 -3.421 98 HD2 LYS 12 HD2 LYS 12 -1.694 3.042 -4.467 99 HD3 LYS 12 HD3 LYS 12 -3.062 3.152 -3.331 100 HE2 LYS 12 HE2 LYS 12 -2.275 5.270 -5.444 101 HE3 LYS 12 HE3 LYS 12 -3.581 4.069 -5.607 102 HZ1 LYS 12 HZ1 LYS 12 -4.553 6.174 -4.962 103 HZ2 LYS 12 HZ2 LYS 12 -3.492 6.357 -3.617 104 HZ3 LYS 12 HZ3 LYS 12 -4.696 5.078 -3.620 105 H VAL 13 H VAL 13 -0.893 3.457 1.099 106 HA VAL 13 HA VAL 13 -2.324 5.943 1.430 107 HB VAL 13 HB VAL 13 -1.935 3.612 3.373 108 HG11 VAL 13 HG11 VAL 13 -3.742 6.092 3.639 109 HG12 VAL 13 HG12 VAL 13 -3.785 4.660 4.705 110 HG13 VAL 13 HG13 VAL 13 -2.343 5.702 4.685 111 HG21 VAL 13 HG21 VAL 13 -4.369 4.520 1.686 112 HG22 VAL 13 HG22 VAL 13 -3.321 3.138 1.281 113 HG23 VAL 13 HG23 VAL 13 -4.306 3.104 2.770 114 H GLY 14 H GLY 14 0.495 4.452 3.227 115 HA2 GLY 14 HA2 GLY 14 0.900 6.119 5.223 116 HA3 GLY 14 HA3 GLY 14 2.284 5.642 4.215 117 H SER 15 H1 SER 15 2.611 7.062 2.137 118 HA SER 15 HA SER 15 2.389 9.920 3.057 119 HB2 SER 15 HB2 SER 15 4.288 8.631 1.026 120 HB3 SER 15 HB3 SER 15 4.336 10.320 1.599 121 HG SER 15 HG SER 15 4.764 9.379 3.761 122 H ASN 16 H ASN 16 1.968 7.860 0.011 123 HA ASN 16 HA ASN 16 1.455 10.233 -1.526 124 HB2 ASN 16 HB2 ASN 16 1.037 7.269 -2.173 125 HB3 ASN 16 HB3 ASN 16 0.448 8.554 -3.241 126 HD21 ASN 16 HD21 ASN 16 3.593 7.457 -1.615 127 HD22 ASN 16 HD22 ASN 16 4.563 8.116 -2.871 128 H LEU 17 H LEU 17 -0.772 8.089 0.389 129 HA LEU 17 HA LEU 17 -2.841 10.166 -0.207 130 HB2 LEU 17 HB2 LEU 17 -3.090 8.099 -1.730 131 HB3 LEU 17 HB3 LEU 17 -3.352 7.153 -0.261 132 HG LEU 17 HG LEU 17 -5.314 8.886 0.250 133 HD11 LEU 17 HD11 LEU 17 -4.723 10.574 -1.551 134 HD12 LEU 17 HD12 LEU 17 -6.351 9.902 -1.793 135 HD13 LEU 17 HD13 LEU 17 -4.991 9.320 -2.791 136 HD21 LEU 17 HD21 LEU 17 -6.927 7.544 -1.103 137 HD22 LEU 17 HD22 LEU 17 -5.712 6.494 -0.330 138 HD23 LEU 17 HD23 LEU 17 -5.581 6.884 -2.070 139 H LEU 18 H LEU 18 -1.455 10.623 1.892 140 HA LEU 18 HA LEU 18 -1.504 10.751 4.192 141 HB2 LEU 18 HB2 LEU 18 -3.604 11.914 3.327 142 HB3 LEU 18 HB3 LEU 18 -4.499 10.399 3.576 143 HG LEU 18 HG LEU 18 -3.975 10.566 6.083 144 HD11 LEU 18 HD11 LEU 18 -2.872 13.344 5.304 145 HD12 LEU 18 HD12 LEU 18 -1.947 12.027 6.083 146 HD13 LEU 18 HD13 LEU 18 -3.255 12.829 6.970 147 HD21 LEU 18 HD21 LEU 18 -5.656 12.363 6.519 148 HD22 LEU 18 HD22 LEU 18 -6.161 11.345 5.147 149 HD23 LEU 18 HD23 LEU 18 -5.465 12.965 4.848 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 2.574 -14.421 4.480 2 HA2 GLY 1 HA2 GLY 1 0.528 -15.107 2.420 3 HA3 GLY 1 HA3 GLY 1 0.624 -13.502 3.206 4 H LEU 2 H LEU 2 0.696 -13.366 0.501 5 HA LEU 2 HA LEU 2 3.471 -13.561 -0.473 6 HB2 LEU 2 HB2 LEU 2 0.929 -12.366 -1.718 7 HB3 LEU 2 HB3 LEU 2 2.543 -12.207 -2.446 8 HG LEU 2 HG LEU 2 2.810 -14.659 -2.621 9 HD11 LEU 2 HD11 LEU 2 -0.061 -14.829 -1.507 10 HD12 LEU 2 HD12 LEU 2 1.416 -15.502 -0.748 11 HD13 LEU 2 HD13 LEU 2 0.819 -16.181 -2.274 12 HD21 LEU 2 HD21 LEU 2 1.160 -15.013 -4.461 13 HD22 LEU 2 HD22 LEU 2 1.831 -13.365 -4.529 14 HD23 LEU 2 HD23 LEU 2 0.188 -13.633 -3.876 15 H LEU 3 H LEU 3 1.468 -11.074 1.222 16 HA LEU 3 HA LEU 3 1.986 -8.862 1.720 17 HB2 LEU 3 HB2 LEU 3 4.787 -10.111 1.581 18 HB3 LEU 3 HB3 LEU 3 4.582 -8.369 1.775 19 HG LEU 3 HG LEU 3 3.253 -8.686 3.848 20 HD11 LEU 3 HD11 LEU 3 3.211 -10.986 4.946 21 HD12 LEU 3 HD12 LEU 3 3.805 -11.690 3.415 22 HD13 LEU 3 HD13 LEU 3 2.199 -10.902 3.493 23 HD21 LEU 3 HD21 LEU 3 5.745 -8.405 3.964 24 HD22 LEU 3 HD22 LEU 3 5.951 -10.179 3.884 25 HD23 LEU 3 HD23 LEU 3 5.143 -9.431 5.291 26 H GLY 4 H GLY 4 0.894 -9.316 -0.664 27 HA2 GLY 4 HA2 GLY 4 2.584 -7.868 -2.674 28 HA3 GLY 4 HA3 GLY 4 1.152 -8.827 -3.016 29 HA PRO 5 HA PRO 5 -0.960 -4.912 -2.920 30 HB2 PRO 5 HB2 PRO 5 -3.560 -5.538 -2.117 31 HB3 PRO 5 HB3 PRO 5 -2.871 -6.072 -3.683 32 HG2 PRO 5 HG2 PRO 5 -2.928 -7.687 -1.091 33 HG3 PRO 5 HG3 PRO 5 -3.569 -8.194 -2.683 34 HD2 PRO 5 HD2 PRO 5 -1.077 -8.975 -1.924 35 HD3 PRO 5 HD3 PRO 5 -1.288 -8.368 -3.611 36 H LEU 6 H LEU 6 -0.916 -6.842 0.169 37 HA LEU 6 HA LEU 6 -1.983 -4.808 1.845 38 HB2 LEU 6 HB2 LEU 6 0.218 -6.904 2.362 39 HB3 LEU 6 HB3 LEU 6 -0.233 -5.719 3.599 40 HG LEU 6 HG LEU 6 -1.281 -7.899 3.993 41 HD11 LEU 6 HD11 LEU 6 -2.388 -5.790 4.830 42 HD12 LEU 6 HD12 LEU 6 -3.529 -7.132 4.553 43 HD13 LEU 6 HD13 LEU 6 -3.449 -5.789 3.390 44 HD21 LEU 6 HD21 LEU 6 -1.644 -8.666 1.627 45 HD22 LEU 6 HD22 LEU 6 -2.952 -7.446 1.452 46 HD23 LEU 6 HD23 LEU 6 -3.125 -8.786 2.612 47 H LEU 7 H LEU 7 1.369 -5.318 0.539 48 HA LEU 7 HA LEU 7 2.376 -3.006 1.976 49 HB2 LEU 7 HB2 LEU 7 3.470 -4.678 -0.342 50 HB3 LEU 7 HB3 LEU 7 4.256 -3.163 0.118 51 HG LEU 7 HG LEU 7 5.250 -5.279 1.138 52 HD11 LEU 7 HD11 LEU 7 5.771 -4.241 3.312 53 HD12 LEU 7 HD12 LEU 7 4.406 -3.108 3.166 54 HD13 LEU 7 HD13 LEU 7 5.780 -3.005 2.029 55 HD21 LEU 7 HD21 LEU 7 2.798 -5.197 3.022 56 HD22 LEU 7 HD22 LEU 7 4.213 -6.262 3.156 57 HD23 LEU 7 HD23 LEU 7 3.099 -6.436 1.775 58 H LYS 8 H LYS 8 0.999 -3.479 -1.388 59 HA LYS 8 HA LYS 8 1.612 -0.880 -2.257 60 HB2 LYS 8 HB2 LYS 8 0.491 -2.589 -3.720 61 HB3 LYS 8 HB3 LYS 8 -1.032 -2.370 -2.812 62 HG2 LYS 8 HG2 LYS 8 -1.112 0.049 -3.485 63 HG3 LYS 8 HG3 LYS 8 0.436 -0.141 -4.356 64 HD2 LYS 8 HD2 LYS 8 -0.644 -1.840 -5.876 65 HD3 LYS 8 HD3 LYS 8 -2.191 -1.629 -5.008 66 HE2 LYS 8 HE2 LYS 8 -2.230 0.803 -5.669 67 HE3 LYS 8 HE3 LYS 8 -0.677 0.594 -6.526 68 HZ1 LYS 8 HZ1 LYS 8 -1.751 -1.047 -8.034 69 HZ2 LYS 8 HZ2 LYS 8 -2.573 0.485 -8.084 70 HZ3 LYS 8 HZ3 LYS 8 -3.271 -0.840 -7.199 71 H ILE 9 H ILE 9 -1.194 -2.042 -0.203 72 HA ILE 9 HA ILE 9 -2.378 0.574 -0.069 73 HB ILE 9 HB ILE 9 -2.578 -1.660 2.031 74 HG12 ILE 9 HG12 ILE 9 -3.480 -2.682 0.053 75 HG13 ILE 9 HG13 ILE 9 -4.862 -2.114 0.983 76 HG21 ILE 9 HG21 ILE 9 -3.234 0.572 2.929 77 HG22 ILE 9 HG22 ILE 9 -4.378 0.790 1.577 78 HG23 ILE 9 HG23 ILE 9 -4.645 -0.495 2.784 79 HD11 ILE 9 HD11 ILE 9 -3.675 -0.796 -1.547 80 HD12 ILE 9 HD12 ILE 9 -5.229 -1.646 -1.392 81 HD13 ILE 9 HD13 ILE 9 -5.001 -0.076 -0.581 82 H ALA 10 H ALA 10 -0.088 -1.189 2.217 83 HA ALA 10 HA ALA 10 -0.088 0.858 4.116 84 HB1 ALA 10 HB1 ALA 10 2.317 -0.927 3.377 85 HB2 ALA 10 HB2 ALA 10 2.121 -0.000 4.890 86 HB3 ALA 10 HB3 ALA 10 1.010 -1.353 4.521 87 H ALA 11 H ALA 11 2.222 0.478 1.287 88 HA ALA 11 HA ALA 11 3.681 2.840 2.028 89 HB1 ALA 11 HB1 ALA 11 4.693 1.088 0.573 90 HB2 ALA 11 HB2 ALA 11 3.506 1.440 -0.715 91 HB3 ALA 11 HB3 ALA 11 4.707 2.679 -0.246 92 H LYS 12 H LYS 12 1.132 2.229 -0.547 93 HA LYS 12 HA LYS 12 1.296 4.856 -1.565 94 HB2 LYS 12 HB2 LYS 12 0.153 2.937 -2.726 95 HB3 LYS 12 HB3 LYS 12 -1.194 3.034 -1.557 96 HG2 LYS 12 HG2 LYS 12 -1.676 5.390 -2.334 97 HG3 LYS 12 HG3 LYS 12 -0.279 5.289 -3.446 98 HD2 LYS 12 HD2 LYS 12 -1.386 3.406 -4.688 99 HD3 LYS 12 HD3 LYS 12 -2.750 3.444 -3.541 100 HE2 LYS 12 HE2 LYS 12 -3.384 4.570 -5.619 101 HE3 LYS 12 HE3 LYS 12 -3.356 5.754 -4.287 102 HZ1 LYS 12 HZ1 LYS 12 -1.249 6.669 -5.115 103 HZ2 LYS 12 HZ2 LYS 12 -2.349 6.563 -6.436 104 HZ3 LYS 12 HZ3 LYS 12 -1.092 5.371 -6.280 105 H VAL 13 H VAL 13 -0.919 3.443 0.976 106 HA VAL 13 HA VAL 13 -2.323 5.902 1.381 107 HB VAL 13 HB VAL 13 -1.927 3.528 3.272 108 HG11 VAL 13 HG11 VAL 13 -3.771 4.545 4.653 109 HG12 VAL 13 HG12 VAL 13 -2.282 5.516 4.689 110 HG13 VAL 13 HG13 VAL 13 -3.665 6.034 3.673 111 HG21 VAL 13 HG21 VAL 13 -4.371 4.514 1.648 112 HG22 VAL 13 HG22 VAL 13 -3.346 3.128 1.195 113 HG23 VAL 13 HG23 VAL 13 -4.314 3.071 2.694 114 H GLY 14 H GLY 14 0.457 4.428 3.259 115 HA2 GLY 14 HA2 GLY 14 0.827 6.166 5.212 116 HA3 GLY 14 HA3 GLY 14 2.231 5.622 4.265 117 H SER 15 H1 SER 15 2.525 6.947 2.056 118 HA SER 15 HA SER 15 2.548 9.812 2.956 119 HB2 SER 15 HB2 SER 15 4.224 8.388 0.827 120 HB3 SER 15 HB3 SER 15 4.370 10.097 1.340 121 HG SER 15 HG SER 15 5.836 8.667 2.562 122 H ASN 16 H ASN 16 1.914 7.843 -0.113 123 HA ASN 16 HA ASN 16 1.331 10.251 -1.548 124 HB2 ASN 16 HB2 ASN 16 0.841 7.313 -2.224 125 HB3 ASN 16 HB3 ASN 16 0.062 8.589 -3.169 126 HD21 ASN 16 HD21 ASN 16 3.476 7.894 -1.878 127 HD22 ASN 16 HD22 ASN 16 4.214 8.437 -3.332 128 H LEU 17 H LEU 17 -0.816 8.117 0.475 129 HA LEU 17 HA LEU 17 -2.860 10.260 0.105 130 HB2 LEU 17 HB2 LEU 17 -3.140 8.288 -1.576 131 HB3 LEU 17 HB3 LEU 17 -3.428 7.265 -0.165 132 HG LEU 17 HG LEU 17 -5.407 8.901 0.419 133 HD11 LEU 17 HD11 LEU 17 -4.776 10.821 -1.107 134 HD12 LEU 17 HD12 LEU 17 -6.369 10.163 -1.528 135 HD13 LEU 17 HD13 LEU 17 -4.948 9.741 -2.518 136 HD21 LEU 17 HD21 LEU 17 -6.947 7.746 -1.190 137 HD22 LEU 17 HD22 LEU 17 -5.771 6.608 -0.480 138 HD23 LEU 17 HD23 LEU 17 -5.537 7.204 -2.152 139 H LEU 18 H LEU 18 -1.253 10.306 2.228 140 HA LEU 18 HA LEU 18 -1.285 10.204 4.563 141 HB2 LEU 18 HB2 LEU 18 -4.219 10.538 3.744 142 HB3 LEU 18 HB3 LEU 18 -3.796 10.397 5.458 143 HG LEU 18 HG LEU 18 -4.110 12.748 4.652 144 HD11 LEU 18 HD11 LEU 18 -2.224 13.728 5.902 145 HD12 LEU 18 HD12 LEU 18 -1.301 12.210 5.808 146 HD13 LEU 18 HD13 LEU 18 -2.823 12.276 6.741 147 HD21 LEU 18 HD21 LEU 18 -2.445 13.905 3.308 148 HD22 LEU 18 HD22 LEU 18 -2.975 12.473 2.384 149 HD23 LEU 18 HD23 LEU 18 -1.395 12.477 3.229 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -2.331 -14.292 0.180 2 HA2 GLY 1 HA2 GLY 1 0.136 -14.769 -1.426 3 HA3 GLY 1 HA3 GLY 1 -0.602 -13.147 -1.246 4 H LEU 2 H LEU 2 2.117 -13.517 -0.488 5 HA LEU 2 HA LEU 2 2.137 -13.990 2.432 6 HB2 LEU 2 HB2 LEU 2 4.354 -13.037 0.552 7 HB3 LEU 2 HB3 LEU 2 4.560 -13.366 2.283 8 HG LEU 2 HG LEU 2 3.607 -15.475 0.233 9 HD11 LEU 2 HD11 LEU 2 5.957 -16.349 0.262 10 HD12 LEU 2 HD12 LEU 2 6.459 -14.971 1.287 11 HD13 LEU 2 HD13 LEU 2 5.894 -14.691 -0.387 12 HD21 LEU 2 HD21 LEU 2 4.697 -15.765 3.109 13 HD22 LEU 2 HD22 LEU 2 4.365 -17.123 2.002 14 HD23 LEU 2 HD23 LEU 2 3.027 -16.122 2.584 15 H LEU 3 H LEU 3 3.079 -11.090 0.329 16 HA LEU 3 HA LEU 3 1.391 -9.423 2.028 17 HB2 LEU 3 HB2 LEU 3 3.732 -10.013 3.269 18 HB3 LEU 3 HB3 LEU 3 4.413 -8.909 2.072 19 HG LEU 3 HG LEU 3 2.603 -7.187 3.005 20 HD11 LEU 3 HD11 LEU 3 2.628 -9.177 5.366 21 HD12 LEU 3 HD12 LEU 3 1.227 -8.885 4.311 22 HD13 LEU 3 HD13 LEU 3 1.843 -7.572 5.338 23 HD21 LEU 3 HD21 LEU 3 4.889 -8.116 4.869 24 HD22 LEU 3 HD22 LEU 3 4.119 -6.502 4.872 25 HD23 LEU 3 HD23 LEU 3 5.091 -7.029 3.473 26 H GLY 4 H GLY 4 1.193 -9.875 -0.711 27 HA2 GLY 4 HA2 GLY 4 2.858 -7.987 -2.161 28 HA3 GLY 4 HA3 GLY 4 1.504 -8.893 -2.827 29 HA PRO 5 HA PRO 5 -0.735 -5.109 -2.887 30 HB2 PRO 5 HB2 PRO 5 -3.376 -5.778 -2.299 31 HB3 PRO 5 HB3 PRO 5 -2.540 -6.368 -3.770 32 HG2 PRO 5 HG2 PRO 5 -2.764 -7.853 -1.105 33 HG3 PRO 5 HG3 PRO 5 -3.286 -8.456 -2.709 34 HD2 PRO 5 HD2 PRO 5 -0.832 -9.137 -1.750 35 HD3 PRO 5 HD3 PRO 5 -0.941 -8.612 -3.477 36 H LEU 6 H LEU 6 -0.759 -6.947 0.226 37 HA LEU 6 HA LEU 6 -2.024 -4.864 1.741 38 HB2 LEU 6 HB2 LEU 6 0.045 -6.978 2.550 39 HB3 LEU 6 HB3 LEU 6 -0.763 -5.910 3.718 40 HG LEU 6 HG LEU 6 -2.358 -7.769 1.828 41 HD11 LEU 6 HD11 LEU 6 -0.894 -9.225 3.161 42 HD12 LEU 6 HD12 LEU 6 -2.556 -9.359 3.771 43 HD13 LEU 6 HD13 LEU 6 -1.362 -8.381 4.672 44 HD21 LEU 6 HD21 LEU 6 -3.128 -6.382 4.471 45 HD22 LEU 6 HD22 LEU 6 -4.165 -7.507 3.550 46 HD23 LEU 6 HD23 LEU 6 -3.740 -5.935 2.851 47 H LEU 7 H LEU 7 1.470 -5.425 0.773 48 HA LEU 7 HA LEU 7 2.355 -3.032 2.094 49 HB2 LEU 7 HB2 LEU 7 3.399 -4.396 -0.453 50 HB3 LEU 7 HB3 LEU 7 4.175 -2.958 0.241 51 HG LEU 7 HG LEU 7 3.835 -5.560 1.808 52 HD11 LEU 7 HD11 LEU 7 5.271 -5.970 -0.201 53 HD12 LEU 7 HD12 LEU 7 6.248 -6.015 1.288 54 HD13 LEU 7 HD13 LEU 7 6.291 -4.568 0.238 55 HD21 LEU 7 HD21 LEU 7 5.703 -4.569 3.241 56 HD22 LEU 7 HD22 LEU 7 4.211 -3.624 3.333 57 HD23 LEU 7 HD23 LEU 7 5.566 -3.056 2.316 58 H LYS 8 H LYS 8 1.050 -3.600 -1.296 59 HA LYS 8 HA LYS 8 1.589 -1.106 -2.283 60 HB2 LYS 8 HB2 LYS 8 0.379 -2.917 -3.593 61 HB3 LYS 8 HB3 LYS 8 -1.090 -2.575 -2.660 62 HG2 LYS 8 HG2 LYS 8 -1.354 -1.497 -4.791 63 HG3 LYS 8 HG3 LYS 8 -1.161 -0.236 -3.559 64 HD2 LYS 8 HD2 LYS 8 0.057 0.391 -5.559 65 HD3 LYS 8 HD3 LYS 8 1.266 0.062 -4.301 66 HE2 LYS 8 HE2 LYS 8 1.773 -2.154 -5.330 67 HE3 LYS 8 HE3 LYS 8 0.443 -1.935 -6.504 68 HZ1 LYS 8 HZ1 LYS 8 2.627 -1.406 -7.496 69 HZ2 LYS 8 HZ2 LYS 8 2.926 -0.198 -6.282 70 HZ3 LYS 8 HZ3 LYS 8 1.640 0.022 -7.442 71 H ILE 9 H ILE 9 -1.247 -1.982 -0.150 72 HA ILE 9 HA ILE 9 -2.357 0.681 -0.341 73 HB ILE 9 HB ILE 9 -2.795 -1.344 1.924 74 HG12 ILE 9 HG12 ILE 9 -3.526 -2.544 -0.026 75 HG13 ILE 9 HG13 ILE 9 -4.979 -1.872 0.716 76 HG21 ILE 9 HG21 ILE 9 -4.893 -0.063 2.350 77 HG22 ILE 9 HG22 ILE 9 -3.461 0.972 2.536 78 HG23 ILE 9 HG23 ILE 9 -4.462 1.098 1.065 79 HD11 ILE 9 HD11 ILE 9 -3.541 -0.810 -1.805 80 HD12 ILE 9 HD12 ILE 9 -5.117 -1.627 -1.719 81 HD13 ILE 9 HD13 ILE 9 -4.937 0.009 -1.038 82 H ALA 10 H ALA 10 -0.295 -0.974 2.214 83 HA ALA 10 HA ALA 10 -0.270 1.236 3.941 84 HB1 ALA 10 HB1 ALA 10 2.034 -0.761 3.447 85 HB2 ALA 10 HB2 ALA 10 1.876 0.324 4.860 86 HB3 ALA 10 HB3 ALA 10 0.680 -0.979 4.592 87 H ALA 11 H ALA 11 2.060 0.472 1.220 88 HA ALA 11 HA ALA 11 3.723 2.715 1.775 89 HB1 ALA 11 HB1 ALA 11 4.646 2.364 -0.526 90 HB2 ALA 11 HB2 ALA 11 4.499 0.819 0.364 91 HB3 ALA 11 HB3 ALA 11 3.310 1.235 -0.903 92 H LYS 12 H LYS 12 1.020 2.295 -0.693 93 HA LYS 12 HA LYS 12 1.475 4.948 -1.715 94 HB2 LYS 12 HB2 LYS 12 -1.048 3.200 -1.897 95 HB3 LYS 12 HB3 LYS 12 -0.817 4.732 -2.772 96 HG2 LYS 12 HG2 LYS 12 0.916 2.205 -3.152 97 HG3 LYS 12 HG3 LYS 12 -0.418 2.743 -4.197 98 HD2 LYS 12 HD2 LYS 12 0.945 4.932 -4.592 99 HD3 LYS 12 HD3 LYS 12 2.286 4.136 -3.725 100 HE2 LYS 12 HE2 LYS 12 2.766 3.818 -6.025 101 HE3 LYS 12 HE3 LYS 12 2.191 2.239 -5.440 102 HZ1 LYS 12 HZ1 LYS 12 1.266 2.841 -7.646 103 HZ2 LYS 12 HZ2 LYS 12 0.558 4.287 -6.992 104 HZ3 LYS 12 HZ3 LYS 12 -0.027 2.721 -6.515 105 H VAL 13 H VAL 13 -1.028 3.672 0.654 106 HA VAL 13 HA VAL 13 -2.252 6.256 0.853 107 HB VAL 13 HB VAL 13 -2.241 3.957 2.893 108 HG11 VAL 13 HG11 VAL 13 -4.175 5.182 3.962 109 HG12 VAL 13 HG12 VAL 13 -2.659 6.098 4.107 110 HG13 VAL 13 HG13 VAL 13 -3.872 6.578 2.887 111 HG21 VAL 13 HG21 VAL 13 -4.409 4.929 0.916 112 HG22 VAL 13 HG22 VAL 13 -3.421 3.461 0.700 113 HG23 VAL 13 HG23 VAL 13 -4.563 3.571 2.062 114 H GLY 14 H GLY 14 0.204 4.599 3.042 115 HA2 GLY 14 HA2 GLY 14 0.493 6.683 4.846 116 HA3 GLY 14 HA3 GLY 14 1.842 5.620 4.375 117 H SER 15 H1 SER 15 2.632 6.155 1.913 118 HA SER 15 HA SER 15 4.003 8.583 2.135 119 HB2 SER 15 HB2 SER 15 4.642 6.777 0.529 120 HB3 SER 15 HB3 SER 15 3.222 7.154 -0.490 121 HG SER 15 HG SER 15 4.247 9.300 -0.785 122 H ASN 16 H ASN 16 0.815 7.925 0.471 123 HA ASN 16 HA ASN 16 0.754 10.743 -0.447 124 HB2 ASN 16 HB2 ASN 16 0.128 8.777 -1.930 125 HB3 ASN 16 HB3 ASN 16 -1.288 8.504 -0.872 126 HD21 ASN 16 HD21 ASN 16 -2.487 8.800 -3.025 127 HD22 ASN 16 HD22 ASN 16 -2.844 10.417 -3.506 128 H LEU 17 H LEU 17 0.371 10.020 2.620 129 HA LEU 17 HA LEU 17 -1.802 11.869 2.887 130 HB2 LEU 17 HB2 LEU 17 -3.098 9.701 2.404 131 HB3 LEU 17 HB3 LEU 17 -2.339 8.986 3.834 132 HG LEU 17 HG LEU 17 -3.461 10.726 5.287 133 HD11 LEU 17 HD11 LEU 17 -4.797 11.599 2.640 134 HD12 LEU 17 HD12 LEU 17 -3.812 12.627 3.722 135 HD13 LEU 17 HD13 LEU 17 -5.395 12.050 4.259 136 HD21 LEU 17 HD21 LEU 17 -5.368 9.120 3.470 137 HD22 LEU 17 HD22 LEU 17 -5.758 9.748 5.098 138 HD23 LEU 17 HD23 LEU 17 -4.517 8.484 4.908 139 H LEU 18 H LEU 18 -0.093 9.212 4.797 140 HA LEU 18 HA LEU 18 0.915 9.347 6.867 141 HB2 LEU 18 HB2 LEU 18 1.037 12.382 6.473 142 HB3 LEU 18 HB3 LEU 18 2.054 11.395 7.530 143 HG LEU 18 HG LEU 18 2.042 11.143 4.451 144 HD11 LEU 18 HD11 LEU 18 3.956 12.764 6.237 145 HD12 LEU 18 HD12 LEU 18 2.766 13.441 5.083 146 HD13 LEU 18 HD13 LEU 18 4.152 12.493 4.479 147 HD21 LEU 18 HD21 LEU 18 4.223 9.977 4.769 148 HD22 LEU 18 HD22 LEU 18 2.969 9.114 5.688 149 HD23 LEU 18 HD23 LEU 18 4.112 10.185 6.539 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 4.318 -17.330 1.680 2 HA2 GLY 1 HA2 GLY 1 1.561 -16.203 1.538 3 HA3 GLY 1 HA3 GLY 1 2.809 -15.591 2.666 4 H LEU 2 H LEU 2 1.770 -13.651 1.141 5 HA LEU 2 HA LEU 2 3.824 -13.193 -1.019 6 HB2 LEU 2 HB2 LEU 2 0.843 -12.474 -1.073 7 HB3 LEU 2 HB3 LEU 2 2.026 -12.025 -2.322 8 HG LEU 2 HG LEU 2 1.272 -14.928 -1.581 9 HD11 LEU 2 HD11 LEU 2 0.331 -13.196 -3.953 10 HD12 LEU 2 HD12 LEU 2 -0.679 -13.707 -2.568 11 HD13 LEU 2 HD13 LEU 2 -0.055 -14.925 -3.709 12 HD21 LEU 2 HD21 LEU 2 2.366 -15.493 -3.800 13 HD22 LEU 2 HD22 LEU 2 3.541 -14.838 -2.650 14 HD23 LEU 2 HD23 LEU 2 2.904 -13.799 -3.953 15 H LEU 3 H LEU 3 1.335 -11.372 1.057 16 HA LEU 3 HA LEU 3 1.486 -9.223 1.832 17 HB2 LEU 3 HB2 LEU 3 3.596 -10.486 2.870 18 HB3 LEU 3 HB3 LEU 3 4.541 -9.452 1.787 19 HG LEU 3 HG LEU 3 4.493 -8.492 4.003 20 HD11 LEU 3 HD11 LEU 3 3.574 -6.210 3.602 21 HD12 LEU 3 HD12 LEU 3 2.610 -6.822 2.234 22 HD13 LEU 3 HD13 LEU 3 4.405 -6.836 2.155 23 HD21 LEU 3 HD21 LEU 3 2.523 -7.865 5.283 24 HD22 LEU 3 HD22 LEU 3 2.398 -9.593 4.864 25 HD23 LEU 3 HD23 LEU 3 1.410 -8.382 3.998 26 H GLY 4 H GLY 4 0.797 -9.417 -0.690 27 HA2 GLY 4 HA2 GLY 4 2.690 -7.828 -2.368 28 HA3 GLY 4 HA3 GLY 4 1.309 -8.749 -2.940 29 HA PRO 5 HA PRO 5 -0.837 -4.862 -2.993 30 HB2 PRO 5 HB2 PRO 5 -3.487 -5.493 -2.323 31 HB3 PRO 5 HB3 PRO 5 -2.719 -5.981 -3.867 32 HG2 PRO 5 HG2 PRO 5 -2.922 -7.674 -1.332 33 HG3 PRO 5 HG3 PRO 5 -3.453 -8.135 -2.978 34 HD2 PRO 5 HD2 PRO 5 -1.022 -8.940 -2.087 35 HD3 PRO 5 HD3 PRO 5 -1.112 -8.267 -3.760 36 H LEU 6 H LEU 6 -1.070 -6.820 0.073 37 HA LEU 6 HA LEU 6 -2.041 -4.713 1.729 38 HB2 LEU 6 HB2 LEU 6 -0.044 -6.992 2.285 39 HB3 LEU 6 HB3 LEU 6 -0.423 -5.785 3.526 40 HG LEU 6 HG LEU 6 -1.665 -7.875 3.858 41 HD11 LEU 6 HD11 LEU 6 -3.855 -6.922 4.369 42 HD12 LEU 6 HD12 LEU 6 -3.623 -5.574 3.232 43 HD13 LEU 6 HD13 LEU 6 -2.608 -5.691 4.700 44 HD21 LEU 6 HD21 LEU 6 -3.210 -7.246 1.271 45 HD22 LEU 6 HD22 LEU 6 -3.545 -8.573 2.412 46 HD23 LEU 6 HD23 LEU 6 -2.027 -8.581 1.480 47 H LEU 7 H LEU 7 1.282 -5.487 0.465 48 HA LEU 7 HA LEU 7 2.555 -3.438 1.955 49 HB2 LEU 7 HB2 LEU 7 3.604 -5.321 0.372 50 HB3 LEU 7 HB3 LEU 7 3.501 -4.088 -0.889 51 HG LEU 7 HG LEU 7 5.012 -3.916 1.804 52 HD11 LEU 7 HD11 LEU 7 6.073 -4.110 -1.083 53 HD12 LEU 7 HD12 LEU 7 6.061 -5.444 0.111 54 HD13 LEU 7 HD13 LEU 7 7.068 -4.002 0.401 55 HD21 LEU 7 HD21 LEU 7 6.030 -1.775 0.827 56 HD22 LEU 7 HD22 LEU 7 4.327 -1.621 1.275 57 HD23 LEU 7 HD23 LEU 7 4.779 -1.817 -0.446 58 H LYS 8 H LYS 8 1.132 -3.446 -1.451 59 HA LYS 8 HA LYS 8 1.746 -0.790 -2.001 60 HB2 LYS 8 HB2 LYS 8 0.759 -2.323 -3.702 61 HB3 LYS 8 HB3 LYS 8 -0.826 -2.247 -2.878 62 HG2 LYS 8 HG2 LYS 8 -0.974 0.210 -3.310 63 HG3 LYS 8 HG3 LYS 8 0.663 0.204 -4.026 64 HD2 LYS 8 HD2 LYS 8 -0.157 -1.314 -5.858 65 HD3 LYS 8 HD3 LYS 8 -1.789 -1.308 -5.132 66 HE2 LYS 8 HE2 LYS 8 -1.923 1.188 -5.465 67 HE3 LYS 8 HE3 LYS 8 -0.285 1.185 -6.171 68 HZ1 LYS 8 HZ1 LYS 8 -2.009 1.200 -7.920 69 HZ2 LYS 8 HZ2 LYS 8 -2.693 -0.277 -7.308 70 HZ3 LYS 8 HZ3 LYS 8 -1.090 -0.275 -7.998 71 H ILE 9 H ILE 9 -1.144 -2.063 -0.128 72 HA ILE 9 HA ILE 9 -2.381 0.513 0.020 73 HB ILE 9 HB ILE 9 -2.513 -1.687 2.162 74 HG12 ILE 9 HG12 ILE 9 -3.402 -2.766 0.207 75 HG13 ILE 9 HG13 ILE 9 -4.791 -2.214 1.136 76 HG21 ILE 9 HG21 ILE 9 -3.212 0.534 3.031 77 HG22 ILE 9 HG22 ILE 9 -4.354 0.730 1.673 78 HG23 ILE 9 HG23 ILE 9 -4.612 -0.547 2.891 79 HD11 ILE 9 HD11 ILE 9 -5.187 -1.792 -1.243 80 HD12 ILE 9 HD12 ILE 9 -4.989 -0.205 -0.460 81 HD13 ILE 9 HD13 ILE 9 -3.655 -0.911 -1.424 82 H ALA 10 H ALA 10 0.005 -1.153 2.266 83 HA ALA 10 HA ALA 10 0.069 0.969 4.110 84 HB1 ALA 10 HB1 ALA 10 2.421 -0.867 3.316 85 HB2 ALA 10 HB2 ALA 10 2.328 0.145 4.786 86 HB3 ALA 10 HB3 ALA 10 1.186 -1.213 4.558 87 H ALA 11 H ALA 11 2.197 0.483 1.147 88 HA ALA 11 HA ALA 11 3.717 2.850 1.706 89 HB1 ALA 11 HB1 ALA 11 4.586 1.075 0.205 90 HB2 ALA 11 HB2 ALA 11 3.297 1.401 -0.987 91 HB3 ALA 11 HB3 ALA 11 4.535 2.647 -0.649 92 H LYS 12 H LYS 12 0.987 2.232 -0.650 93 HA LYS 12 HA LYS 12 1.015 4.838 -1.702 94 HB2 LYS 12 HB2 LYS 12 -0.272 2.842 -2.688 95 HB3 LYS 12 HB3 LYS 12 -1.449 3.017 -1.369 96 HG2 LYS 12 HG2 LYS 12 -2.460 4.115 -3.226 97 HG3 LYS 12 HG3 LYS 12 -1.834 5.458 -2.239 98 HD2 LYS 12 HD2 LYS 12 0.205 5.552 -3.813 99 HD3 LYS 12 HD3 LYS 12 -0.506 4.217 -4.751 100 HE2 LYS 12 HE2 LYS 12 -2.509 5.641 -5.269 101 HE3 LYS 12 HE3 LYS 12 -1.814 6.969 -4.305 102 HZ1 LYS 12 HZ1 LYS 12 0.132 7.029 -5.867 103 HZ2 LYS 12 HZ2 LYS 12 -1.372 7.300 -6.697 104 HZ3 LYS 12 HZ3 LYS 12 -0.587 5.751 -6.807 105 H VAL 13 H VAL 13 -1.014 3.444 1.024 106 HA VAL 13 HA VAL 13 -2.389 5.922 1.441 107 HB VAL 13 HB VAL 13 -1.965 3.564 3.351 108 HG11 VAL 13 HG11 VAL 13 -3.704 6.077 3.728 109 HG12 VAL 13 HG12 VAL 13 -3.787 4.606 4.739 110 HG13 VAL 13 HG13 VAL 13 -2.303 5.585 4.729 111 HG21 VAL 13 HG21 VAL 13 -3.414 3.129 1.294 112 HG22 VAL 13 HG22 VAL 13 -4.352 3.082 2.811 113 HG23 VAL 13 HG23 VAL 13 -4.435 4.517 1.752 114 H GLY 14 H GLY 14 0.391 4.426 3.303 115 HA2 GLY 14 HA2 GLY 14 0.840 6.123 5.238 116 HA3 GLY 14 HA3 GLY 14 2.216 5.616 4.234 117 H SER 15 H1 SER 15 2.574 7.020 2.140 118 HA SER 15 HA SER 15 2.384 9.881 3.051 119 HB2 SER 15 HB2 SER 15 4.656 8.991 2.737 120 HB3 SER 15 HB3 SER 15 4.283 8.576 1.036 121 HG SER 15 HG SER 15 5.236 10.755 1.232 122 H ASN 16 H ASN 16 2.128 7.893 -0.068 123 HA ASN 16 HA ASN 16 1.593 10.126 -1.618 124 HB2 ASN 16 HB2 ASN 16 1.961 7.679 -2.440 125 HB3 ASN 16 HB3 ASN 16 0.208 7.457 -2.233 126 HD21 ASN 16 HD21 ASN 16 -1.214 9.297 -3.432 127 HD22 ASN 16 HD22 ASN 16 -0.601 9.755 -4.973 128 H LEU 17 H LEU 17 -0.772 8.108 0.304 129 HA LEU 17 HA LEU 17 -2.780 10.288 -0.148 130 HB2 LEU 17 HB2 LEU 17 -2.976 8.263 -1.763 131 HB3 LEU 17 HB3 LEU 17 -3.258 7.265 -0.331 132 HG LEU 17 HG LEU 17 -5.317 8.835 0.158 133 HD11 LEU 17 HD11 LEU 17 -6.271 10.020 -1.834 134 HD12 LEU 17 HD12 LEU 17 -4.806 9.643 -2.779 135 HD13 LEU 17 HD13 LEU 17 -4.718 10.746 -1.377 136 HD21 LEU 17 HD21 LEU 17 -5.565 6.511 -0.708 137 HD22 LEU 17 HD22 LEU 17 -5.312 7.091 -2.381 138 HD23 LEU 17 HD23 LEU 17 -6.767 7.588 -1.465 139 H LEU 18 H LEU 18 -1.278 10.440 2.055 140 HA LEU 18 HA LEU 18 -1.378 10.338 4.393 141 HB2 LEU 18 HB2 LEU 18 -4.262 10.678 3.421 142 HB3 LEU 18 HB3 LEU 18 -3.962 10.497 5.157 143 HG LEU 18 HG LEU 18 -4.209 12.866 4.392 144 HD11 LEU 18 HD11 LEU 18 -3.071 12.334 6.547 145 HD12 LEU 18 HD12 LEU 18 -2.410 13.805 5.791 146 HD13 LEU 18 HD13 LEU 18 -1.488 12.285 5.725 147 HD21 LEU 18 HD21 LEU 18 -2.438 14.045 3.196 148 HD22 LEU 18 HD22 LEU 18 -2.933 12.648 2.197 149 HD23 LEU 18 HD23 LEU 18 -1.409 12.597 3.140 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 3.094 -14.822 5.482 2 HA2 GLY 1 HA2 GLY 1 1.655 -15.212 3.476 3 HA3 GLY 1 HA3 GLY 1 1.597 -13.494 3.989 4 H LEU 2 H LEU 2 0.952 -13.627 1.446 5 HA LEU 2 HA LEU 2 3.231 -13.808 -0.345 6 HB2 LEU 2 HB2 LEU 2 0.676 -14.018 -0.907 7 HB3 LEU 2 HB3 LEU 2 0.677 -12.240 -0.985 8 HG LEU 2 HG LEU 2 2.309 -14.242 -2.692 9 HD11 LEU 2 HD11 LEU 2 0.062 -12.284 -3.484 10 HD12 LEU 2 HD12 LEU 2 -0.128 -14.050 -3.268 11 HD13 LEU 2 HD13 LEU 2 0.908 -13.420 -4.573 12 HD21 LEU 2 HD21 LEU 2 2.976 -12.160 -4.071 13 HD22 LEU 2 HD22 LEU 2 3.785 -12.319 -2.506 14 HD23 LEU 2 HD23 LEU 2 2.422 -11.167 -2.692 15 H LEU 3 H LEU 3 1.345 -11.099 1.273 16 HA LEU 3 HA LEU 3 1.936 -8.878 1.640 17 HB2 LEU 3 HB2 LEU 3 4.723 -10.166 1.649 18 HB3 LEU 3 HB3 LEU 3 4.522 -8.415 1.692 19 HG LEU 3 HG LEU 3 3.171 -8.547 3.764 20 HD11 LEU 3 HD11 LEU 3 3.704 -11.577 3.612 21 HD12 LEU 3 HD12 LEU 3 2.102 -10.779 3.547 22 HD13 LEU 3 HD13 LEU 3 3.051 -10.738 5.046 23 HD21 LEU 3 HD21 LEU 3 5.836 -10.087 3.965 24 HD22 LEU 3 HD22 LEU 3 5.026 -9.199 5.288 25 HD23 LEU 3 HD23 LEU 3 5.682 -8.311 3.889 26 H GLY 4 H GLY 4 0.812 -9.412 -0.674 27 HA2 GLY 4 HA2 GLY 4 2.529 -8.165 -2.791 28 HA3 GLY 4 HA3 GLY 4 1.015 -9.021 -3.048 29 HA PRO 5 HA PRO 5 -0.749 -4.915 -2.975 30 HB2 PRO 5 HB2 PRO 5 -3.407 -5.339 -2.292 31 HB3 PRO 5 HB3 PRO 5 -2.705 -5.986 -3.809 32 HG2 PRO 5 HG2 PRO 5 -2.961 -7.493 -1.157 33 HG3 PRO 5 HG3 PRO 5 -3.619 -8.004 -2.741 34 HD2 PRO 5 HD2 PRO 5 -1.199 -8.951 -1.910 35 HD3 PRO 5 HD3 PRO 5 -1.356 -8.406 -3.627 36 H LEU 6 H LEU 6 -0.841 -6.889 0.065 37 HA LEU 6 HA LEU 6 -2.016 -4.973 1.731 38 HB2 LEU 6 HB2 LEU 6 -1.079 -7.423 2.305 39 HB3 LEU 6 HB3 LEU 6 0.434 -6.578 2.656 40 HG LEU 6 HG LEU 6 -0.715 -6.945 4.719 41 HD11 LEU 6 HD11 LEU 6 0.230 -4.588 4.468 42 HD12 LEU 6 HD12 LEU 6 -1.064 -4.739 5.692 43 HD13 LEU 6 HD13 LEU 6 -1.432 -4.016 4.111 44 HD21 LEU 6 HD21 LEU 6 -2.990 -7.466 3.839 45 HD22 LEU 6 HD22 LEU 6 -3.308 -5.729 3.572 46 HD23 LEU 6 HD23 LEU 6 -3.060 -6.348 5.224 47 H LEU 7 H LEU 7 1.442 -5.349 0.653 48 HA LEU 7 HA LEU 7 2.325 -3.026 2.129 49 HB2 LEU 7 HB2 LEU 7 3.521 -4.605 -0.212 50 HB3 LEU 7 HB3 LEU 7 4.245 -3.068 0.285 51 HG LEU 7 HG LEU 7 5.321 -5.146 1.274 52 HD11 LEU 7 HD11 LEU 7 5.724 -2.876 2.228 53 HD12 LEU 7 HD12 LEU 7 5.757 -4.145 3.477 54 HD13 LEU 7 HD13 LEU 7 4.342 -3.071 3.343 55 HD21 LEU 7 HD21 LEU 7 4.300 -6.239 3.245 56 HD22 LEU 7 HD22 LEU 7 3.215 -6.416 1.840 57 HD23 LEU 7 HD23 LEU 7 2.845 -5.230 3.123 58 H LYS 8 H LYS 8 1.134 -3.473 -1.318 59 HA LYS 8 HA LYS 8 1.711 -0.857 -2.114 60 HB2 LYS 8 HB2 LYS 8 0.731 -2.552 -3.661 61 HB3 LYS 8 HB3 LYS 8 -0.824 -2.441 -2.800 62 HG2 LYS 8 HG2 LYS 8 -1.024 0.006 -3.484 63 HG3 LYS 8 HG3 LYS 8 0.597 -0.110 -4.209 64 HD2 LYS 8 HD2 LYS 8 -0.745 -0.285 -6.101 65 HD3 LYS 8 HD3 LYS 8 -0.465 -2.003 -5.749 66 HE2 LYS 8 HE2 LYS 8 -2.984 -0.326 -5.099 67 HE3 LYS 8 HE3 LYS 8 -2.803 -1.520 -6.405 68 HZ1 LYS 8 HZ1 LYS 8 -3.001 -2.058 -3.441 69 HZ2 LYS 8 HZ2 LYS 8 -2.443 -3.272 -4.599 70 HZ3 LYS 8 HZ3 LYS 8 -4.035 -2.584 -4.693 71 H ILE 9 H ILE 9 -1.127 -2.058 -0.136 72 HA ILE 9 HA ILE 9 -2.372 0.541 -0.059 73 HB ILE 9 HB ILE 9 -2.535 -1.674 2.062 74 HG12 ILE 9 HG12 ILE 9 -3.406 -2.654 0.019 75 HG13 ILE 9 HG13 ILE 9 -4.767 -2.235 1.061 76 HG21 ILE 9 HG21 ILE 9 -4.313 0.800 1.638 77 HG22 ILE 9 HG22 ILE 9 -4.633 -0.517 2.797 78 HG23 ILE 9 HG23 ILE 9 -3.199 0.510 3.000 79 HD11 ILE 9 HD11 ILE 9 -3.844 -0.669 -1.439 80 HD12 ILE 9 HD12 ILE 9 -5.289 -1.687 -1.276 81 HD13 ILE 9 HD13 ILE 9 -5.185 -0.158 -0.370 82 H ALA 10 H ALA 10 -0.029 -1.133 2.238 83 HA ALA 10 HA ALA 10 -0.024 0.954 4.098 84 HB1 ALA 10 HB1 ALA 10 2.227 0.160 4.825 85 HB2 ALA 10 HB2 ALA 10 1.141 -1.225 4.509 86 HB3 ALA 10 HB3 ALA 10 2.403 -0.786 3.323 87 H ALA 11 H ALA 11 2.171 0.572 1.183 88 HA ALA 11 HA ALA 11 3.627 2.970 1.788 89 HB1 ALA 11 HB1 ALA 11 3.273 1.535 -0.921 90 HB2 ALA 11 HB2 ALA 11 4.485 2.799 -0.556 91 HB3 ALA 11 HB3 ALA 11 4.556 1.219 0.283 92 H LYS 12 H LYS 12 0.877 2.260 -0.533 93 HA LYS 12 HA LYS 12 0.912 4.832 -1.669 94 HB2 LYS 12 HB2 LYS 12 -0.430 2.761 -2.512 95 HB3 LYS 12 HB3 LYS 12 -1.623 3.135 -1.264 96 HG2 LYS 12 HG2 LYS 12 -2.522 4.160 -3.222 97 HG3 LYS 12 HG3 LYS 12 -1.779 5.509 -2.344 98 HD2 LYS 12 HD2 LYS 12 -1.230 5.772 -4.681 99 HD3 LYS 12 HD3 LYS 12 0.284 5.249 -3.914 100 HE2 LYS 12 HE2 LYS 12 -0.108 2.894 -4.775 101 HE3 LYS 12 HE3 LYS 12 -1.671 3.418 -5.452 102 HZ1 LYS 12 HZ1 LYS 12 -0.458 4.975 -6.943 103 HZ2 LYS 12 HZ2 LYS 12 0.099 3.343 -7.149 104 HZ3 LYS 12 HZ3 LYS 12 1.062 4.473 -6.246 105 H VAL 13 H VAL 13 -1.017 3.518 1.139 106 HA VAL 13 HA VAL 13 -2.416 6.006 1.535 107 HB VAL 13 HB VAL 13 -1.950 3.652 3.446 108 HG11 VAL 13 HG11 VAL 13 -3.769 6.113 3.796 109 HG12 VAL 13 HG12 VAL 13 -3.762 4.665 4.843 110 HG13 VAL 13 HG13 VAL 13 -2.329 5.720 4.786 111 HG21 VAL 13 HG21 VAL 13 -4.445 4.547 1.853 112 HG22 VAL 13 HG22 VAL 13 -3.402 3.176 1.398 113 HG23 VAL 13 HG23 VAL 13 -4.337 3.114 2.914 114 H GLY 14 H GLY 14 0.433 4.489 3.268 115 HA2 GLY 14 HA2 GLY 14 0.867 6.165 5.265 116 HA3 GLY 14 HA3 GLY 14 2.238 5.640 4.262 117 H SER 15 H1 SER 15 2.607 7.028 2.171 118 HA SER 15 HA SER 15 2.372 9.910 3.014 119 HB2 SER 15 HB2 SER 15 4.661 8.963 2.797 120 HB3 SER 15 HB3 SER 15 4.363 8.610 1.073 121 HG SER 15 HG SER 15 4.035 10.974 0.841 122 H ASN 16 H ASN 16 2.164 7.781 -0.012 123 HA ASN 16 HA ASN 16 1.746 9.969 -1.663 124 HB2 ASN 16 HB2 ASN 16 2.200 7.529 -2.393 125 HB3 ASN 16 HB3 ASN 16 0.449 7.252 -2.257 126 HD21 ASN 16 HD21 ASN 16 -1.022 8.781 -3.644 127 HD22 ASN 16 HD22 ASN 16 -0.347 9.325 -5.134 128 H LEU 17 H LEU 17 -0.756 8.181 0.306 129 HA LEU 17 HA LEU 17 -2.708 10.267 -0.603 130 HB2 LEU 17 HB2 LEU 17 -2.812 7.976 -1.860 131 HB3 LEU 17 HB3 LEU 17 -3.282 7.284 -0.301 132 HG LEU 17 HG LEU 17 -5.281 9.025 -0.344 133 HD11 LEU 17 HD11 LEU 17 -4.412 10.522 -2.188 134 HD12 LEU 17 HD12 LEU 17 -5.977 9.799 -2.618 135 HD13 LEU 17 HD13 LEU 17 -4.474 9.143 -3.321 136 HD21 LEU 17 HD21 LEU 17 -5.602 6.589 -0.708 137 HD22 LEU 17 HD22 LEU 17 -5.168 6.767 -2.435 138 HD23 LEU 17 HD23 LEU 17 -6.657 7.526 -1.797 139 H LEU 18 H LEU 18 -1.275 10.613 1.731 140 HA LEU 18 HA LEU 18 -3.590 10.973 3.388 141 HB2 LEU 18 HB2 LEU 18 -2.920 8.514 3.928 142 HB3 LEU 18 HB3 LEU 18 -1.481 9.186 4.719 143 HG LEU 18 HG LEU 18 -4.438 9.785 5.432 144 HD11 LEU 18 HD11 LEU 18 -3.978 8.447 7.503 145 HD12 LEU 18 HD12 LEU 18 -2.337 8.076 6.899 146 HD13 LEU 18 HD13 LEU 18 -3.780 7.470 6.034 147 HD21 LEU 18 HD21 LEU 18 -3.469 10.850 7.539 148 HD22 LEU 18 HD22 LEU 18 -3.116 11.766 6.066 149 HD23 LEU 18 HD23 LEU 18 -1.844 10.739 6.807