NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1084 8.1585 120.3286 55.4101 34.6217 177.5933 2 A 4.1788 7.9727 121.0057 53.6366 18.7689 177.9952 3 K 3.8946 9.1263 117.4051 59.2380 33.1924 175.9867 4 E 4.0884 8.0461 116.0221 56.6539 30.2081 176.5061 5 F 4.5021 7.2701 114.6297 55.6914 41.0460 175.3858 6 G 3.6638 8.0515 108.2964 46.3598 0.0000 173.6489 7 I 4.1053 7.6413 121.4084 59.2862 37.8584 174.2865 8 P 4.4342 0.0000 0.0000 62.0850 33.1482 177.0310 9 A 4.0093 8.6981 122.6843 55.6531 17.7658 180.1701 10 A 3.9148 7.9637 118.4905 55.1465 18.3904 179.8862 11 V 3.6047 7.7080 116.0914 65.7856 31.7241 177.8991 12 A 4.0709 8.5465 121.0971 55.2790 18.2762 179.8922 13 G 3.5436 8.4144 104.4680 48.1392 0.0000 176.0387 14 T 3.8764 7.6073 116.9665 66.4442 68.4811 176.8800 15 V 3.5966 7.9826 120.2110 66.0902 31.5192 178.1530 16 L 4.0457 8.2326 118.8681 57.7495 41.4107 179.2690 17 N 4.3334 8.2884 116.7333 55.9730 38.3208 177.6144 18 V 3.5051 7.6804 119.4877 65.8559 31.6226 178.1211 19 V 3.5786 7.8394 117.9220 66.3252 31.1868 177.9680 20 E 4.0686 8.2696 116.3326 58.5940 29.3257 178.1271 21 A 4.4299 7.6498 118.8497 51.2518 18.9284 177.2512 22 G 3.7823 7.9386 105.6914 46.5183 0.0000 174.7896 23 G 3.6794 8.0068 108.6493 44.1825 0.0000 174.8122 24 W 4.6505 8.0352 119.1243 56.1483 31.0786 177.8487 25 V 3.6721 8.6104 121.7669 66.5528 30.9964 178.2129 26 T 3.9672 8.1278 112.2914 65.5700 67.0859 176.0086 27 T 3.9747 7.9744 117.0464 66.7122 68.6215 176.6284 28 I 3.7115 7.7766 121.7162 64.3973 37.0742 178.6285 29 V 3.6244 8.3876 119.7001 66.0634 31.3955 178.2690 30 S 4.2023 8.2715 114.0049 61.3392 62.7021 176.6820 31 I 3.7061 7.7858 123.4287 64.2979 36.9569 178.4307 32 L 4.1131 8.0882 119.8550 58.0109 41.4274 179.7024 33 T 3.8910 8.4199 116.0736 66.5440 68.1591 176.4967 34 A 4.0978 7.8005 121.4582 54.7021 18.3981 179.4754 35 V 3.7002 7.1429 115.2030 66.0150 32.3163 175.7737 36 G 4.0141 8.5350 104.0932 43.6362 0.0000 174.9754 37 S 4.2273 9.2328 113.8115 61.9954 62.6929 177.1248 38 G 4.2663 7.6054 110.1759 46.7522 0.0000 175.8264 39 G 4.1261 7.9267 108.8871 47.2658 0.0000 175.6943 40 L 4.0581 7.9997 121.6748 57.5708 41.6223 179.8279 41 S 4.2261 8.4123 115.3594 61.5333 62.5680 176.5058 42 L 3.2936 7.6431 122.0760 57.7998 41.5564 178.6275 43 L 4.1148 8.0169 118.8182 57.7809 41.4111 179.4004 44 A 4.0535 8.1250 120.5227 54.9782 18.0922 179.5026 45 A 3.9744 7.9467 118.2269 55.0003 18.7150 179.2964 46 A 3.1730 7.5944 118.6695 52.1043 18.5228 179.4373 47 G 3.8087 8.0617 104.7998 47.2125 0.0000 176.1886 48 R 4.1378 8.7805 124.0928 56.7864 30.2142 175.7280 49 E 4.6314 7.4846 117.6207 54.4323 31.4124 176.6700 50 S 4.3969 8.2559 116.5134 58.1437 65.2586 175.1409 51 I 3.7764 8.3336 122.1526 64.2127 37.5786 178.0321 52 K 3.9740 8.0849 119.8820 59.4214 32.1990 178.5614 53 A 4.0122 8.2408 121.1696 55.1308 18.1855 178.9466 54 Y 4.4130 8.3672 118.2424 61.1641 38.9095 178.4756 55 L 3.7631 8.1369 119.8608 57.4641 41.5970 179.5517 56 K 3.9056 8.3065 118.7884 59.3529 32.0262 179.1965 57 K 3.8926 8.1174 119.7021 59.5127 32.0915 178.6043 58 E 3.7033 8.2100 119.0507 59.4876 29.2653 179.4511 59 I 3.6591 8.0038 120.1405 64.2233 36.9023 178.4333 60 K 3.8887 7.9830 119.7409 59.1774 32.0597 178.5635 61 K 4.0425 7.9562 119.0906 58.8464 32.3184 178.1399 62 K 4.3295 8.4493 116.6397 54.7970 34.0741 177.7861 63 G 4.0081 7.7248 104.9652 45.4686 0.0000 174.1523 64 K 3.8240 8.7276 121.6505 59.4017 32.1364 179.0049 65 R 3.8650 8.0471 118.0198 59.6568 29.9401 178.1670 66 A 4.0651 7.9623 119.8729 55.0271 18.1700 179.6292 67 V 3.6780 7.7034 116.1383 66.1764 32.0527 177.9194 68 I 3.9013 8.1598 119.6559 64.5385 36.9124 178.2538 69 A 4.0703 8.1120 121.4908 54.7743 18.1569 177.2960 70 W 4.3508 8.6859 131.7723 57.7805 30.8320 175.5017 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 1 M 8.16 4.11 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.37 0.00 2 A 7.97 4.18 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 3 K 9.13 3.89 0.00 1.73 1.86 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 4 E 8.05 4.09 0.00 1.28 1.27 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 0.00 2.20 2.47 0.00 5 F 7.27 4.50 0.00 3.06 3.05 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 6 G 8.05 3.66 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 7 I 7.64 4.11 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.92 0.00 0.00 8 P 0.00 4.43 0.00 2.15 1.96 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 9 A 8.70 4.01 1.33 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 10 A 7.96 3.91 1.32 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 V 7.71 3.60 2.20 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 1.11 0.00 0.00 0.93 0.00 0.00 12 A 8.55 4.07 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.41 3.54 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 14 T 7.61 3.88 4.43 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 1.20 0.00 0.00 15 V 7.98 3.60 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 1.03 0.00 0.00 0.97 0.00 0.00 16 L 8.23 4.05 0.00 1.72 1.70 0.95 0.98 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 17 N 8.29 4.33 0.00 2.86 2.84 0.00 0.00 6.54 7.19 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 18 V 7.68 3.51 2.23 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 1.05 0.00 0.00 0.96 0.00 0.00 19 V 7.84 3.58 2.24 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 0.98 0.00 0.00 0.96 0.00 0.00 20 E 8.27 4.07 0.00 1.96 1.99 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 2.33 2.54 0.00 21 A 7.65 4.43 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.94 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.01 3.68 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 0.00 0.00 0.00 24 W 8.04 4.65 0.00 3.46 2.96 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 25 V 8.61 3.67 2.13 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 0.98 0.00 0.00 0.99 0.00 0.00 26 T 8.13 3.97 4.26 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 1.41 0.00 0.00 27 T 7.97 3.97 4.46 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 1.19 0.00 0.00 28 I 7.78 3.71 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.93 0.00 0.00 29 V 8.39 3.62 2.29 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 1.13 0.00 0.00 1.02 0.00 0.00 30 S 8.27 4.20 0.00 4.13 4.22 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 0.00 0.00 0.00 31 I 7.79 3.71 1.99 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 1.52 1.29 0.91 0.00 0.00 32 L 8.09 4.11 0.00 1.69 1.84 0.89 0.57 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 33 T 8.42 3.89 4.43 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 1.22 0.00 0.00 34 A 7.80 4.10 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 35 V 7.14 3.70 2.24 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 0.85 0.00 0.00 0.96 0.00 0.00 36 G 8.53 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.23 4.23 0.00 4.07 4.17 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 0.00 0.00 0.00 0.00 38 G 7.61 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.93 4.13 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 40 L 8.00 4.06 0.00 1.89 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.41 4.23 0.00 4.29 4.14 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 L 7.64 3.29 0.00 0.83 1.58 0.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.02 4.11 0.00 1.90 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.13 4.05 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 45 A 7.95 3.97 1.54 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 46 A 7.59 3.17 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 47 G 8.06 3.81 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 48 R 8.78 4.14 0.00 1.79 1.97 0.00 3.19 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 49 E 7.48 4.63 0.00 2.07 1.91 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 2.28 2.21 0.00 50 S 8.26 4.40 0.00 4.08 4.02 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 51 I 8.33 3.78 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.96 0.00 0.00 52 K 8.08 3.97 0.00 1.92 1.84 0.00 1.96 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.54 7.81 53 A 8.24 4.01 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 54 Y 8.37 4.41 0.00 3.05 3.19 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 55 L 8.14 3.76 0.00 1.73 1.66 0.92 0.76 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 56 K 8.31 3.91 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.77 7.81 57 K 8.12 3.89 0.00 1.94 2.06 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 58 E 8.21 3.70 0.00 1.82 1.59 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 1.63 1.47 0.00 59 I 8.00 3.66 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.89 0.00 0.00 60 K 7.98 3.89 0.00 1.81 1.96 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 61 K 7.96 4.04 0.00 1.73 1.81 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 62 K 8.45 4.33 0.00 1.59 1.73 0.00 1.32 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.23 1.19 7.81 63 G 7.72 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.73 3.82 0.00 1.82 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.51 7.81 65 R 8.05 3.87 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 66 A 7.96 4.07 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 67 V 7.70 3.68 2.23 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 1.00 0.00 0.00 0.84 0.00 0.00 68 I 8.16 3.90 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.94 0.00 0.00 69 A 8.11 4.07 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 70 W 8.69 4.35 0.00 3.40 3.37 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