NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4848 8.1933 116.7947 58.1328 64.5150 174.3849 9 I 3.6303 8.0467 121.4995 63.7869 36.6870 177.0943 10 A 3.9777 8.7659 122.7507 55.3467 18.8680 179.2098 11 Q 3.9256 8.0760 115.8262 58.9148 28.8326 178.8544 12 A 4.0741 7.9154 121.3474 55.3068 18.7029 180.0215 13 R 3.9483 8.2317 116.5825 58.8678 30.0749 179.1888 14 K 3.9343 8.2209 120.0118 59.3035 32.1672 178.6530 15 L 3.9283 7.5364 119.5704 58.1989 42.1058 179.0539 16 V 3.6355 7.7197 118.1427 66.0885 31.2844 177.8594 17 E 4.0007 8.1287 118.0107 59.2098 29.2116 179.1951 18 Q 3.9375 7.8776 119.2071 59.2784 29.1833 178.2168 19 L 4.0313 8.5433 120.0619 57.2915 41.4294 179.3824 20 K 4.0014 8.1600 120.1300 59.5024 31.8814 178.5457 21 M 4.0904 7.5733 117.9493 58.3068 32.1836 177.6395 22 E 4.1610 8.2464 118.0730 58.8794 29.5534 178.5426 23 A 4.1845 7.9158 120.5399 54.3859 18.1063 177.6671 24 N 4.6337 7.6844 115.1817 53.7265 39.0442 174.2711 25 I 4.4280 7.0794 109.0776 58.4643 39.3614 175.0267 26 D 4.7130 8.3799 122.6045 52.8301 40.5850 175.7832 27 R 4.6564 8.2125 118.8653 54.4084 33.5842 175.1176 28 I 4.4163 7.9587 114.0405 58.9956 40.0810 175.9274 29 K 4.2178 8.1515 120.1761 56.0203 33.8841 178.6404 30 V 3.6155 8.4021 122.1235 65.9172 31.5087 178.4845 31 S 4.1087 8.0822 113.8128 61.5819 62.4804 176.4588 32 K 3.9923 7.9483 122.6740 58.5636 31.6218 178.5738 33 A 3.9895 8.3166 121.4699 55.0254 18.3522 179.5020 34 A 3.9438 8.4136 119.4411 55.4044 18.4111 179.5911 35 A 3.9672 7.9209 119.1103 55.5476 18.0673 179.5308 36 D 4.4074 7.6826 116.4478 57.0063 41.2201 178.7555 37 L 4.1558 7.5919 118.3280 58.1948 41.8506 179.0398 38 M 3.9753 8.2544 117.8221 58.8128 31.8608 178.0840 39 A 4.0336 7.8339 120.8899 55.1314 18.5256 179.0658 40 Y 3.8696 8.2844 118.3000 60.9334 38.9646 177.7495 41 C 4.2037 8.1853 117.1295 62.8484 28.1890 175.1227 42 E 3.8588 7.8108 118.9928 59.4862 29.1778 178.5921 43 A 4.0203 7.3721 118.8090 55.3993 18.9161 178.5902 44 H 5.0685 8.0566 113.3328 55.3372 29.1018 177.2165 45 A 4.0418 7.8856 125.1731 55.1843 17.8993 180.1903 46 K 3.9998 7.9907 115.6886 59.3771 32.3962 177.8764 47 E 4.1730 8.1102 117.1776 57.3648 30.2364 175.4622 48 D 4.5958 7.6548 118.4642 53.5936 40.9191 174.8839 49 P 5.4043 0.0000 0.0000 63.8277 31.7636 177.6939 50 L 4.1840 8.3316 117.8812 56.4201 41.9764 177.6690 51 L 4.3945 8.1546 116.9078 56.2033 43.0798 177.1402 52 T 4.4107 8.0395 120.5022 60.6718 67.8806 172.1852 53 P 4.6869 0.0000 0.0000 62.6468 32.1184 176.9410 54 V 4.2904 7.8553 113.2221 58.7966 33.9300 174.0362 55 P 4.3103 0.0000 0.0000 62.7058 31.8279 177.6048 56 A 4.0421 8.8437 125.0141 55.4482 18.4711 180.2222 57 S 4.1582 8.0690 109.8715 61.0244 63.2916 175.3945 58 E 4.1621 7.9095 118.3848 56.4194 29.3724 175.3147 59 N 4.8762 7.6211 119.3361 51.0114 40.0453 173.8309 60 P 4.3035 0.0000 0.0000 65.0908 31.5430 176.9409 61 F 4.8730 8.6769 115.7602 57.2859 38.7069 176.3250 62 R 4.5861 7.4629 117.2232 57.1063 32.8681 176.0350 63 E 4.6896 7.8399 113.4049 55.8104 32.3013 175.6588 64 K 4.1558 8.0087 120.1686 55.8414 32.9019 175.7056 65 K 4.4682 8.4567 125.8408 57.4276 34.0048 176.0817 66 F 4.8415 7.6451 112.0423 55.6229 39.3593 175.4844 67 F 4.1877 8.5651 120.7830 57.8801 39.8508 174.4813 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 8 S 8.19 4.48 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.05 3.63 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 1.57 0.70 0.91 0.00 0.00 10 A 8.77 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 3.93 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 12 A 7.92 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 R 8.23 3.95 0.00 1.94 1.99 0.00 3.23 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 14 K 8.22 3.93 0.00 1.95 1.98 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 L 7.54 3.93 0.00 1.90 1.81 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.72 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 17 E 8.13 4.00 0.00 2.29 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 2.33 2.42 0.00 18 Q 7.88 3.94 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 19 L 8.54 4.03 0.00 1.67 1.70 0.92 0.56 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 20 K 8.16 4.00 0.00 1.96 1.93 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 21 M 7.57 4.09 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 22 E 8.25 4.16 0.00 1.98 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 2.33 2.49 0.00 23 A 7.92 4.18 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 24 N 7.68 4.63 0.00 2.80 2.80 0.00 0.00 7.12 8.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.08 4.43 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 1.48 0.78 0.95 0.00 0.00 26 D 8.38 4.71 0.00 2.79 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 27 R 8.21 4.66 0.00 1.76 1.82 0.00 3.18 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 28 I 7.96 4.42 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 1.41 0.61 0.91 0.00 0.00 29 K 8.15 4.22 0.00 1.82 1.76 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 30 V 8.40 3.62 2.08 0.00 0.00 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 0.93 0.00 0.00 31 S 8.08 4.11 0.00 4.09 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 32 K 7.95 3.99 0.00 1.89 2.03 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.57 7.81 33 A 8.32 3.99 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 34 A 8.41 3.94 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 35 A 7.92 3.97 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 36 D 7.68 4.41 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.16 0.00 1.91 1.73 0.91 0.70 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 38 M 8.25 3.98 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 39 A 7.83 4.03 1.47 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 0.00 0.00 40 Y 8.28 3.87 0.00 3.06 3.13 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 41 C 8.19 4.20 0.00 3.06 3.02 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 42 E 7.81 3.86 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 43 A 7.37 4.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 5.07 0.00 3.09 3.28 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.89 4.04 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 46 K 7.99 4.00 0.00 1.71 1.88 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 47 E 8.11 4.17 0.00 2.12 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 2.29 2.27 0.00 48 D 7.65 4.60 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 5.40 0.00 2.09 2.10 0.00 3.79 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 50 L 8.33 4.18 0.00 1.76 1.72 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.15 4.39 0.00 1.62 1.70 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.04 4.41 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 1.21 0.00 0.00 53 P 0.00 4.69 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 54 V 7.86 4.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 55 P 0.00 4.31 0.00 2.18 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 56 A 8.84 4.04 1.34 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 0.00 0.00 0.00 57 S 8.07 4.16 0.00 4.03 4.15 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 0.00 0.00 0.00 58 E 7.91 4.16 0.00 2.09 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 2.31 2.39 0.00 59 N 7.62 4.88 0.00 2.71 2.85 0.00 0.00 7.11 8.94 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 60 P 0.00 4.30 0.00 1.22 1.98 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 61 F 8.68 4.87 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.46 4.59 0.00 1.83 1.86 0.00 3.35 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 63 E 7.84 4.69 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 64 K 8.01 4.16 0.00 1.66 1.56 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.72 7.81 65 K 8.46 4.47 0.00 1.76 1.84 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 66 F 7.65 4.84 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.57 4.19 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00