NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6283 8.1476 120.2766 55.0324 33.9515 174.6786 2 L 4.6064 8.3878 123.6769 54.1758 42.3797 174.1588 3 I 4.8795 9.2239 114.3690 59.7988 42.6196 174.9290 4 K 4.7480 8.5823 120.5702 55.1604 35.7706 176.0654 5 V 4.5252 8.6798 126.9879 61.2364 33.1256 174.7447 6 K 4.4544 9.1683 131.1028 56.1414 33.2247 176.7499 7 T 4.4898 8.7428 124.8135 62.5794 69.2680 175.7946 8 L 4.0439 8.4061 123.6102 58.9133 40.4616 178.6787 9 T 4.0445 7.8116 115.2743 65.4792 68.7547 174.6531 10 G 3.7434 7.6404 108.2124 45.1541 0.0000 174.2706 11 K 4.2472 8.1252 121.5727 56.2223 33.3426 175.8009 12 E 4.7476 8.7642 123.5492 55.5217 30.8054 175.6164 13 I 4.3089 8.6229 126.9709 59.8384 38.7630 174.9071 14 E 4.8852 8.7632 127.5145 55.8272 30.8261 175.8674 15 I 4.6641 8.1641 116.2872 60.1679 41.8556 172.8960 16 D 5.1302 8.4556 121.3964 53.4045 43.4063 174.7140 17 I 4.7632 8.3300 118.3996 59.4794 41.1899 174.4800 18 E 4.5048 8.8764 122.3017 54.6898 31.1311 175.7632 19 P 4.4909 0.0000 0.0000 65.8309 31.6148 178.7357 20 T 4.0146 7.7579 113.2511 65.3674 68.6479 174.2021 21 D 4.3603 8.3839 122.1612 53.9980 40.5366 176.3204 22 K 4.3572 8.4327 124.0512 55.9490 33.1159 178.3078 23 V 3.5183 8.1526 120.6550 66.4952 31.3071 177.9759 24 E 4.0899 8.3090 116.5253 59.8811 29.0080 179.4443 25 R 3.9399 8.1719 118.8550 58.9199 30.1467 178.9862 26 I 3.6514 7.5399 119.1055 64.2524 37.1947 178.2392 27 K 3.8621 8.3500 119.6698 59.7928 32.0209 179.1041 28 E 3.9882 8.0598 118.2764 59.5631 29.1872 179.7595 29 R 3.9240 7.8892 118.0561 59.0753 30.0267 179.2486 30 V 3.5532 7.7045 118.0772 65.9114 31.4718 177.3449 31 E 4.1696 8.3454 120.5899 58.8215 29.2604 178.6057 32 E 3.9189 7.8959 116.0188 59.3453 29.3604 179.2057 33 K 4.0715 7.5090 118.7846 59.0935 32.4018 178.1326 34 E 4.3113 7.9921 117.7630 58.3126 30.8178 176.7149 35 G 4.3359 8.0731 107.4340 46.2713 0.0000 173.8130 36 I 4.6464 7.5499 118.0756 58.1628 41.3856 173.7599 37 P 4.3222 0.0000 0.0000 62.5106 31.9192 175.7266 38 P 4.3308 0.0000 0.0000 65.8575 31.6531 178.4723 39 Q 3.9545 8.1563 116.7997 58.4511 28.8634 177.8354 40 Q 4.9882 7.6471 114.3670 57.1225 29.3787 176.1180 41 Q 4.5055 7.8828 116.3229 55.9017 29.9869 176.3035 42 R 4.4080 8.6671 121.0299 54.8332 33.5723 173.7649 43 L 4.6482 8.6080 129.6338 54.3346 43.3147 174.8840 44 I 4.6902 8.6701 128.7086 60.0067 39.4166 174.6325 45 Y 4.6556 8.6181 126.7699 56.8090 42.6647 174.6173 46 S 3.3280 8.8870 120.4446 59.4751 60.8361 171.5854 47 G 4.0472 8.4271 102.5240 45.6854 0.0000 174.2416 48 K 4.5942 8.0457 118.6242 53.9143 35.8123 175.7701 49 Q 4.3679 8.8218 122.8086 56.4587 29.1374 175.8825 50 M 4.3888 8.6429 125.1322 54.5270 32.4877 175.8257 51 N 4.6385 8.9130 123.1974 52.9166 40.0952 175.5981 52 D 4.6342 9.0337 125.1102 57.3161 41.1115 177.9883 53 E 4.0733 7.7774 115.7693 58.1635 30.0228 177.0620 54 K 4.4853 8.3870 120.2884 55.6698 34.0988 175.1168 55 T 4.6707 8.0706 107.4458 59.2590 71.8684 174.2893 56 A 3.9023 8.2496 124.1448 55.6379 18.1347 179.8179 57 A 3.9408 8.0066 118.8674 55.7088 18.1862 179.3746 58 D 4.2841 7.9780 114.9089 56.9948 41.0706 176.9962 59 Y 4.4077 8.0213 116.2027 56.6541 38.3140 175.8410 60 K 3.6377 8.0306 117.1577 57.5864 32.2640 175.3083 61 I 3.7198 7.0697 120.6965 61.9729 36.0535 176.2194 62 L 4.3814 8.1399 126.1615 52.5633 43.1577 176.4534 63 G 3.7749 8.4207 108.8071 48.9069 0.0000 173.6671 64 G 4.0895 9.0529 113.9831 44.7161 0.0000 173.7119 65 S 4.2767 8.3412 117.1884 59.1211 64.0988 173.9166 66 V 4.3432 8.6121 124.4034 61.9772 31.9576 174.7186 67 L 4.8104 8.6569 129.2903 53.8844 43.6658 175.8997 68 H 5.0002 8.9372 121.7979 54.6108 29.5278 174.1287 69 L 4.8395 8.5467 126.6671 54.6351 42.9941 176.3060 70 V 4.6150 8.5734 117.5485 59.5875 36.6130 174.1067 71 L 4.5868 8.4977 124.2516 55.3134 43.2998 176.3305 72 A 4.5936 8.9508 125.6747 51.4132 22.6921 175.5584 73 L 4.5115 8.2380 121.4765 54.8909 43.2059 175.1091 74 R 4.1894 8.1169 119.3277 55.4730 31.8636 173.7785 75 G 4.1944 10.1079 103.8235 45.7462 0.0000 173.8227 76 G 3.7073 7.4791 111.6329 45.7211 0.0000 172.1342 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 8.15 4.63 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 2 L 8.39 4.61 0.00 1.90 1.79 0.98 0.19 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 3 I 9.22 4.88 1.87 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 1.21 0.99 0.89 0.00 0.00 4 K 8.58 4.75 0.00 1.64 1.73 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.39 7.81 5 V 8.68 4.53 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 6 K 9.17 4.45 0.00 1.83 1.58 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.41 7.81 7 T 8.74 4.49 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 1.20 0.00 0.00 8 L 8.41 4.04 0.00 1.73 1.81 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.81 4.04 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 1.20 0.00 0.00 10 G 7.64 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.13 4.25 0.00 1.72 1.74 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.43 7.81 12 E 8.76 4.75 0.00 1.97 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 2.23 2.33 0.00 13 I 8.62 4.31 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 1.22 0.61 0.91 0.00 0.00 14 E 8.76 4.89 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 15 I 8.16 4.66 1.86 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 0.75 0.90 0.00 0.00 16 D 8.46 5.13 0.00 2.65 2.53 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 17 I 8.33 4.76 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.89 0.00 0.00 18 E 8.88 4.50 0.00 2.14 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 2.35 2.27 0.00 19 P 0.00 4.49 0.00 2.17 2.11 0.00 3.58 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 2.11 2.11 0.00 20 T 7.76 4.01 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 21 D 8.38 4.36 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.36 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 23 V 8.15 3.52 2.06 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 1.01 0.00 0.00 0.97 0.00 0.00 24 E 8.31 4.09 0.00 2.22 2.35 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 2.36 2.42 0.00 25 R 8.17 3.94 0.00 2.06 2.00 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 I 7.54 3.65 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.63 0.87 0.00 0.00 27 K 8.35 3.86 0.00 1.74 1.85 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 28 E 8.06 3.99 0.00 2.17 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 2.32 2.64 0.00 29 R 7.89 3.92 0.00 2.06 1.97 0.00 3.28 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 1.72 1.77 0.00 30 V 7.70 3.55 2.33 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 1.05 0.00 0.00 0.98 0.00 0.00 31 E 8.35 4.17 0.00 2.10 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 0.00 2.39 2.34 0.00 32 E 7.90 3.92 0.00 2.19 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 0.00 2.49 2.42 0.00 33 K 7.51 4.07 0.00 1.88 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.58 7.81 34 E 7.99 4.31 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 35 G 8.07 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 0.00 0.00 0.00 0.00 36 I 7.55 4.65 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 1.00 0.91 0.00 0.00 37 P 0.00 4.32 0.00 2.17 1.99 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 38 P 0.00 4.33 0.00 2.21 2.36 0.00 3.71 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 2.06 1.98 0.00 39 Q 8.16 3.95 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 40 Q 7.65 4.99 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 41 Q 7.88 4.51 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 42 R 8.67 4.41 0.00 1.98 1.72 0.00 3.25 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 43 L 8.61 4.65 0.00 1.75 1.44 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.67 4.69 2.00 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 1.38 1.04 0.93 0.00 0.00 45 Y 8.62 4.66 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 3.33 0.00 4.26 4.05 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 47 G 8.43 4.05 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 0.00 0.00 0.00 48 K 8.05 4.59 0.00 2.18 1.83 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 Q 8.82 4.37 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 50 M 8.64 4.39 0.00 1.56 1.89 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.81 0.00 51 N 8.91 4.64 0.00 2.84 2.72 0.00 0.00 7.19 8.51 0.00 0.00 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 D 9.03 4.63 0.00 2.71 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 53 E 7.78 4.07 0.00 2.05 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 2.57 2.31 0.00 54 K 8.39 4.49 0.00 2.02 1.99 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.70 7.81 55 T 8.07 4.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 56 A 8.25 3.90 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 A 8.01 3.94 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 58 D 7.98 4.28 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.02 4.41 0.00 3.04 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 60 K 8.03 3.64 0.00 1.94 1.97 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.42 1.51 7.81 61 I 7.07 3.72 1.73 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.92 0.69 0.00 0.00 62 L 8.14 4.38 0.00 1.73 1.61 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.42 3.77 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 0.00 0.00 0.00 64 G 9.05 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 0.00 0.00 0.00 65 S 8.34 4.28 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.61 4.34 2.12 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 0.95 0.00 0.00 1.03 0.00 0.00 67 L 8.66 4.81 0.00 1.70 1.62 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.94 5.00 0.00 3.26 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.55 4.84 0.00 1.64 1.78 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.57 4.61 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 0.58 0.00 0.00 1.02 0.00 0.00 71 L 8.50 4.59 0.00 1.63 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.95 4.59 1.24 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 0.00 0.00 0.00 73 L 8.24 4.51 0.00 1.72 1.62 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.12 4.19 0.00 1.80 1.91 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 75 G 10.11 4.19 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 0.00 76 G 7.48 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00