NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4786 0.0000 0.0000 62.3552 33.6498 174.9609 2 I 4.8604 8.2784 122.6999 59.1602 40.0827 173.0021 3 A 4.7710 9.5318 130.1141 49.9931 22.1023 174.5016 4 Q 4.9474 8.6825 122.7736 54.3537 31.5279 174.4065 5 I 4.4601 8.7908 127.9838 59.8524 39.9121 174.3394 6 H 5.2226 8.8270 124.6520 54.4225 29.6593 174.4316 7 I 4.6324 8.1883 116.4253 58.5419 41.2442 174.9173 8 L 4.6640 8.3378 123.2903 54.3387 42.1897 176.9807 9 E 4.2379 8.6367 121.2312 57.2305 29.8816 176.0944 10 G 3.5987 8.8029 109.0559 45.6359 0.0000 174.6200 11 R 4.2846 7.6439 119.3747 55.3526 31.4051 176.7514 12 S 4.5284 8.2507 116.1384 57.7702 65.5789 175.2066 13 D 4.3819 8.4813 121.4272 57.3484 40.4717 178.8923 14 E 3.9563 8.0957 118.6717 59.5968 29.5002 179.1324 15 Q 4.0134 7.7911 118.0429 59.1127 28.7900 179.3015 16 K 3.9779 7.9693 118.8828 59.1923 31.9046 179.1117 17 E 3.9773 8.2088 119.8901 59.3680 29.4894 179.0827 18 T 3.8900 7.9832 116.0035 66.2602 68.5224 176.3945 19 L 3.9098 8.0988 122.5296 58.4683 42.1910 179.0990 20 I 3.6685 7.7278 119.5032 64.3581 37.0174 178.5111 21 R 3.9004 7.8261 119.3155 59.3569 30.0107 178.3151 22 E 3.9546 8.5443 118.8387 59.5365 29.4818 179.6248 23 V 3.6223 7.9881 118.2974 66.0659 31.5754 178.2424 24 S 4.1435 7.9832 114.5188 61.4796 62.5787 176.6374 25 E 3.9074 8.3329 121.1149 59.2860 29.2759 178.9452 26 A 3.9805 7.9669 120.8055 55.3634 18.5112 179.8196 27 I 3.6383 7.8832 118.0526 64.5831 37.3408 178.5934 28 S 4.1638 7.9774 113.9582 61.2964 62.0589 176.1307 29 R 3.8458 8.6120 121.5757 59.7020 29.7071 178.5416 30 S 4.1510 7.9539 113.4941 61.0881 62.9812 175.9103 31 L 4.4461 7.6449 117.6497 53.1824 42.3686 175.6477 32 D 4.3320 7.6192 117.4520 55.2897 40.1655 172.8574 33 A 4.7893 7.4981 118.6917 48.9320 21.5615 175.7189 34 P 4.2967 0.0000 0.0000 62.6296 32.0586 176.9894 35 L 3.8868 8.8806 124.6144 58.5004 41.9495 178.7299 36 T 4.0832 7.8838 106.2672 63.3002 68.7135 174.6177 37 S 4.4543 7.9523 116.3951 58.8248 63.8988 174.4007 38 V 4.0889 7.5437 122.5651 62.7774 32.1659 175.3517 39 R 4.7077 8.8925 126.2661 54.3226 33.3058 174.6046 40 V 4.8692 8.4880 122.9908 61.0622 34.5550 174.4662 41 I 4.5626 8.9485 128.0079 59.6058 40.2681 174.2865 42 I 4.7543 8.4000 127.7130 60.0555 39.2300 175.3259 43 T 4.4956 8.6802 122.9414 61.7592 71.4237 173.1437 44 E 4.7721 8.8414 126.2965 56.0747 31.0141 176.0027 45 M 4.8464 8.8296 122.6043 53.2304 35.1147 175.7419 46 A 4.5697 8.5599 125.3968 51.6926 19.3467 178.6821 47 K 3.9527 8.6163 120.6217 59.1897 32.2490 178.4100 48 G 4.0600 7.9895 105.4117 45.6437 0.0000 173.4785 49 H 4.9656 8.5466 114.7670 54.9334 29.8538 173.4530 50 F 5.0768 8.2325 122.5453 56.2782 41.5219 173.6557 51 G 4.1695 8.3703 116.3020 43.5401 0.0000 172.1925 52 I 4.1445 7.9888 122.3102 60.0173 39.9324 176.1017 53 G 3.8352 9.5862 113.8639 46.5961 0.0000 174.1438 54 G 3.9275 8.7196 105.6043 44.9681 0.0000 173.8527 55 E 4.6761 7.6960 118.0220 53.6327 33.5725 175.2215 56 L 4.2748 8.5038 121.3424 55.2805 42.2373 178.5973 57 A 3.9018 8.6349 125.7617 54.8524 18.7134 177.9331 58 S 4.3245 7.3634 112.3840 58.7733 62.9033 174.0723 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.28 4.86 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 1.27 0.72 0.90 0.00 0.00 3 A 9.53 4.77 1.19 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 0.00 0.00 4 Q 8.68 4.95 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.64 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 5 I 8.79 4.46 1.83 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 1.21 0.58 0.88 0.00 0.00 6 H 8.83 5.22 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.19 4.63 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 0.86 0.00 0.00 8 L 8.34 4.66 0.00 1.53 1.64 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.64 4.24 0.00 1.97 2.07 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 0.00 2.31 2.27 0.00 10 G 8.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.28 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 12 S 8.25 4.53 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.38 0.00 2.78 2.75 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 0.00 14 E 8.10 3.96 0.00 2.05 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 2.40 2.46 0.00 15 Q 7.79 4.01 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.97 3.98 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.21 3.98 0.00 2.25 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 2.30 2.34 0.00 18 T 7.98 3.89 4.40 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 1.21 0.00 0.00 19 L 8.10 3.91 0.00 1.81 1.84 0.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.73 3.67 2.00 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 1.39 0.86 0.90 0.00 0.00 21 R 7.83 3.90 0.00 1.82 1.91 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.54 3.95 0.00 2.01 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 2.46 2.46 0.00 23 V 7.99 3.62 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 1.02 0.00 0.00 0.92 0.00 0.00 24 S 7.98 4.14 0.00 4.17 3.89 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 0.00 0.00 0.00 25 E 8.33 3.91 0.00 2.10 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 2.48 2.47 0.00 26 A 7.97 3.98 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 27 I 7.88 3.64 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 1.40 1.25 0.91 0.00 0.00 28 S 7.98 4.16 0.00 3.91 4.09 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 0.00 0.00 0.00 0.00 29 R 8.61 3.85 0.00 2.11 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 7.95 4.15 0.00 3.92 3.92 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 31 L 7.64 4.45 0.00 1.64 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.62 4.33 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.79 1.23 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 0.00 0.00 34 P 0.00 4.30 0.00 2.22 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 L 8.88 3.89 0.00 1.74 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.88 4.08 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 37 S 7.95 4.45 0.00 3.98 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 38 V 7.54 4.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 39 R 8.89 4.71 0.00 1.81 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.49 4.87 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.95 4.56 1.84 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 1.21 0.61 0.87 0.00 0.00 42 I 8.40 4.75 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.68 4.50 3.94 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 1.19 0.00 0.00 44 E 8.84 4.77 0.00 1.84 1.85 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 2.27 2.31 0.00 45 M 8.83 4.85 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 46 A 8.56 4.57 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.62 3.95 0.00 1.82 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.46 7.81 48 G 7.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.55 4.97 0.00 3.40 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.23 5.08 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 52 I 7.99 4.14 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.40 0.82 0.00 0.00 53 G 9.59 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.72 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.70 4.68 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 56 L 8.50 4.27 0.00 1.69 1.62 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.63 3.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.36 4.32 0.00 4.07 4.04 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 0.00 0.00 0.00