NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3607 8.2549 117.2815 55.5903 31.9580 174.4052 8 N 5.1246 7.4358 116.7243 49.3491 41.3542 171.3020 9 E 4.1786 9.2365 118.7323 58.7106 30.6869 177.7837 10 A 4.5460 8.0897 123.7841 55.1282 18.2640 179.2174 11 L 3.8822 8.0235 118.7687 58.3053 42.2078 179.1336 12 R 3.9280 8.1011 118.7632 59.3684 29.9010 178.6964 13 I 3.7295 7.6331 119.2236 64.1987 37.4405 177.4442 14 E 3.9529 7.9857 121.5405 58.6973 29.4762 178.8976 15 S 4.0305 8.1129 112.5687 61.2847 62.4585 175.7489 16 A 3.9666 7.8232 123.2712 55.4384 18.1269 179.4976 17 L 3.9541 8.3141 117.4546 58.0863 41.6110 179.9831 18 L 3.8741 7.8018 118.3575 57.5403 41.4678 179.2565 19 N 4.3401 8.0703 116.2914 55.9907 38.3937 177.5466 20 K 3.9621 8.0849 119.9400 59.4973 32.0941 179.3151 21 I 3.7399 7.9747 119.7941 64.5108 36.8697 178.0108 22 A 3.9136 7.9038 120.1850 55.9910 18.1429 179.3535 23 M 4.1468 8.1870 116.2084 58.6079 32.2373 178.7965 24 L 4.2722 8.1828 119.2386 55.3116 42.1525 178.2256 25 G 4.1247 8.7199 109.2598 45.7741 0.0000 174.7151 26 T 4.3056 8.9046 122.3633 66.4469 68.5529 176.2565 27 E 4.0758 8.0589 119.7928 58.7528 30.0509 178.4271 28 K 3.9488 7.9867 119.1363 59.9236 32.1860 178.8173 29 T 3.9583 8.6642 116.1696 66.5156 68.1741 176.7102 30 A 3.3202 7.6262 121.9447 54.7834 18.3443 179.0178 31 E 3.9132 7.8455 116.6213 59.0256 29.7465 178.3409 32 A 4.2333 7.8227 119.9966 54.3258 19.2670 177.9759 33 V 4.1847 7.8572 116.3527 61.4747 34.9415 175.6489 34 G 3.5340 8.6200 107.1797 48.9266 0.0000 173.9228 35 V 3.1923 7.0208 119.8740 62.0382 31.4979 174.8336 36 D 4.7319 8.4093 126.6380 52.5901 42.7405 176.8249 37 K 3.5671 8.6361 123.4183 59.5986 31.6132 179.2306 38 S 4.1362 8.9553 114.6107 62.0003 62.9742 176.5790 39 Q 4.1139 8.9395 121.9608 57.3299 28.6452 178.3379 40 I 3.9919 7.2504 121.4484 64.4037 37.0125 177.9107 41 S 4.1047 8.5930 116.6479 61.2648 62.9582 176.2736 42 R 3.4369 7.5716 120.8297 59.6310 29.6523 177.1195 43 W 3.7141 7.6691 126.6658 61.2031 30.2409 177.7512 44 K 3.6101 8.3432 119.5518 58.2113 31.6750 178.6264 45 R 4.3435 7.8750 114.8323 56.1858 30.7956 176.8633 46 D 4.6671 8.0460 118.5975 55.7776 42.2683 178.4852 47 W 3.9794 7.3680 118.5462 59.6327 29.3729 178.2978 48 I 3.5985 7.6847 119.8746 64.2221 36.1001 176.6336 49 P 4.7262 0.0000 0.0000 65.1122 31.4063 178.7643 50 K 3.9949 8.1810 117.6125 59.7039 32.0468 179.4484 51 F 4.7387 8.2944 117.8792 60.4616 38.4889 177.9887 52 S 4.2317 8.2950 115.1230 61.3136 62.4558 176.3764 53 M 4.0443 7.6999 120.1633 58.3999 31.9969 177.5966 54 L 3.9622 7.8146 120.3392 58.6627 42.1968 179.2108 55 L 3.7451 7.9672 117.9548 57.3713 41.3475 179.5404 56 A 3.9704 7.8361 120.5559 55.1187 18.3173 179.3789 57 V 3.5370 8.1951 116.0832 66.3602 31.5240 177.4470 58 L 4.2260 8.6552 115.7131 55.0424 41.0809 176.6810 59 E 4.0239 8.3342 117.2530 56.7744 27.8796 176.2216 60 W 4.0197 8.9063 130.3810 59.4144 31.0745 176.6899 61 G 4.3917 7.7456 109.7363 47.0361 0.0000 173.8517 62 V 3.3055 6.9883 116.5837 60.6048 32.4958 174.7537 63 V 4.5112 8.0192 125.6949 60.6989 34.5777 175.3875 64 D 4.6065 8.5318 123.2903 54.8102 39.3489 175.4481 65 D 4.7094 8.3740 124.0283 55.8208 42.6326 179.1715 66 D 4.3741 8.0031 118.6484 57.4237 41.0984 177.6239 67 M 4.2258 7.9771 116.7099 56.8687 32.9698 177.7343 68 A 4.0267 7.9751 120.4794 55.9890 18.5976 179.8846 69 R 3.9314 7.9248 116.4658 59.0806 29.9257 179.3505 70 L 4.1082 7.9285 118.4339 57.5093 41.6593 178.6473 71 A 4.1163 7.4751 120.1773 55.5623 18.6182 179.6249 72 R 4.0575 8.3828 114.6127 59.4955 29.7272 178.8712 73 Q 4.1019 8.8198 119.1858 58.0413 28.6424 178.5476 74 V 3.6534 8.6960 120.4772 65.3779 31.6005 177.7289 75 A 4.0107 8.0419 120.5630 54.6839 18.2206 179.4669 76 A 3.9007 7.4795 119.2070 55.3604 18.3144 179.9261 77 I 3.8425 7.5392 109.5497 64.0998 38.1344 177.8875 78 L 4.1362 7.8191 119.8262 57.7040 41.6385 178.7865 79 T 3.9370 7.7887 114.4575 65.4324 68.5459 173.4675 80 N 5.0115 7.4499 115.9290 50.7520 40.0442 174.7657 81 K 4.1663 7.9505 116.1592 56.6080 32.2609 176.8525 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 R 8.25 4.36 0.00 1.94 2.13 0.00 3.10 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 8 N 7.44 5.12 0.00 2.90 2.78 0.00 0.00 6.84 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.24 4.18 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 10 A 8.09 4.55 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.02 3.88 0.00 2.00 1.67 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.10 3.93 0.00 1.93 2.14 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 13 I 7.63 3.73 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.51 0.93 0.00 0.00 14 E 7.99 3.95 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 15 S 8.11 4.03 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.82 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.31 3.95 0.00 1.60 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.80 3.87 0.00 1.80 1.62 0.83 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.07 4.34 0.00 2.85 2.86 0.00 0.00 6.93 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.08 3.96 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.71 7.81 21 I 7.97 3.74 1.96 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 1.01 0.00 0.00 22 A 7.90 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.19 4.15 0.00 1.99 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 24 L 8.18 4.27 0.00 1.79 1.80 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.72 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.90 4.31 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 27 E 8.06 4.08 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 28 K 7.99 3.95 0.00 1.81 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.49 7.81 29 T 8.66 3.96 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 30 A 7.63 3.32 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.85 3.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 32 A 7.82 4.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.86 4.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 34 G 8.62 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.02 3.19 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.12 0.00 0.00 36 D 8.41 4.73 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.64 3.57 0.00 1.81 1.86 0.00 1.74 0.00 0.00 2.22 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.50 7.81 38 S 8.96 4.14 0.00 3.97 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.94 4.11 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 40 I 7.25 3.99 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 1.05 0.00 0.00 41 S 8.59 4.10 0.00 3.75 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.57 3.44 0.00 1.59 1.35 0.00 3.01 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 43 W 7.67 3.71 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.34 3.61 0.00 1.63 1.65 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.90 1.73 7.81 45 R 7.88 4.34 0.00 1.78 1.91 0.00 2.93 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 46 D 8.05 4.67 0.00 2.49 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 7.37 3.98 0.00 3.44 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.68 3.60 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.77 0.00 0.00 49 P 0.00 4.73 0.00 2.10 2.10 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 50 K 8.18 3.99 0.00 1.77 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.58 7.81 51 F 8.29 4.74 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.29 4.23 0.00 4.15 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.70 4.04 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 54 L 7.81 3.96 0.00 1.92 1.93 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.97 3.75 0.00 1.93 1.79 0.67 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.84 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.20 3.54 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 58 L 8.66 4.23 0.00 1.98 1.94 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.33 4.02 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 60 W 8.91 4.02 0.00 3.35 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.75 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 6.99 3.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.26 0.00 0.00 63 V 8.02 4.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 64 D 8.53 4.61 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.37 4.71 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.00 4.37 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.98 4.23 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 68 A 7.98 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.92 3.93 0.00 1.86 2.00 0.00 3.30 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 70 L 7.93 4.11 0.00 1.69 1.71 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.48 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.38 4.06 0.00 2.03 2.20 0.00 2.78 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 73 Q 8.82 4.10 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 74 V 8.70 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 75 A 8.04 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.54 3.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.64 0.91 0.00 0.00 78 L 7.82 4.14 0.00 1.87 1.77 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.79 3.94 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 80 N 7.45 5.01 0.00 2.84 2.79 0.00 0.00 6.92 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.95 4.17 0.00 1.89 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.36 7.81