NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5027 8.3049 120.3339 55.1913 33.4160 174.6848 2 K 4.3812 8.4131 120.7839 54.4410 34.1678 175.0686 3 K 4.6742 9.0049 121.1214 56.7850 34.6469 175.3740 4 Y 4.9947 9.1281 119.4960 56.3798 42.0637 174.6796 5 T 5.1152 8.7440 112.5331 59.7337 72.4225 172.7205 6 C 3.3009 9.2577 126.1008 59.3321 32.1029 173.8446 7 T 4.1169 8.4969 116.5748 62.7197 68.6101 175.9821 8 V 3.8928 7.7214 122.2200 64.7675 32.0548 176.0220 9 C 4.6448 8.1868 110.6052 57.3597 31.0960 174.6383 10 G 3.9372 8.5626 109.2432 44.7322 0.0000 173.1365 11 Y 4.3815 7.9480 121.1037 58.3442 39.9773 175.0134 12 I 4.6500 7.3317 118.5629 59.1122 39.7523 174.2660 13 Y 4.3338 9.4553 130.2548 56.9275 40.0814 173.4714 14 N 4.8714 7.9219 126.3388 50.9381 40.3802 173.5092 15 P 4.1982 0.0000 0.0000 65.6404 31.7278 178.4912 16 E 3.4861 8.0744 117.6208 58.7483 29.5430 177.3625 17 D 4.5017 7.9804 116.8639 53.5967 42.2002 177.9341 18 G 4.2813 7.5195 107.1985 45.7192 0.0000 172.7530 19 D 4.9832 8.5941 111.7759 52.1143 41.6807 175.2528 20 P 4.4733 0.0000 0.0000 65.6873 32.0099 179.3415 21 D 4.4418 8.2585 117.6608 56.4880 40.8582 176.5227 22 N 4.8923 8.3496 115.6160 52.9953 38.8822 175.5764 23 G 3.8419 8.4518 105.3292 45.4486 0.0000 174.0440 24 V 4.1682 7.5122 119.6455 60.6419 32.8877 174.8991 25 N 4.8641 8.4600 124.8893 51.8606 39.3580 172.8998 26 P 4.4557 0.0000 0.0000 64.9027 31.7114 176.9544 27 G 3.9535 9.7902 112.1508 45.2764 0.0000 173.1186 28 T 4.3226 7.4081 110.2277 59.7974 70.2182 174.4739 29 D 4.4922 8.5645 125.4961 54.0429 42.1851 176.4760 30 F 3.2621 8.9879 127.5808 60.9687 39.4725 176.8311 31 K 3.6343 8.0295 120.7719 59.6440 31.7518 177.0079 32 D 4.4651 7.4981 114.6600 54.7954 41.1638 176.8857 33 I 3.4621 6.7251 121.4259 59.9135 37.5765 174.1838 34 P 4.1048 0.0000 0.0000 63.4410 31.5241 176.6829 35 D 4.5484 8.6075 120.8855 55.4640 40.8334 176.4484 36 D 4.6883 7.7626 117.9195 52.6373 40.2193 176.5873 37 W 4.2023 8.1334 130.8706 57.7898 31.1677 175.2215 38 V 4.2264 6.9206 116.3986 58.6589 34.8687 175.0437 39 C 3.5356 8.7068 122.3893 59.0214 31.5034 173.1328 40 P 4.1199 0.0000 0.0000 64.5709 31.3048 176.8240 41 L 4.4123 7.5780 117.8990 55.8569 42.9183 176.8317 42 C 4.5091 8.0137 109.1434 57.3596 30.7313 174.6244 43 G 3.7806 8.1991 108.9130 45.4874 0.0000 174.1328 44 V 3.8992 7.3153 113.2250 60.3236 32.7044 175.7888 45 G 4.1721 8.2956 110.4531 44.6683 0.0000 174.9294 46 K 4.2910 8.7912 118.4810 59.4962 32.0352 179.0140 47 D 4.6317 8.3241 116.2806 55.2953 39.3742 176.5882 48 Q 4.5117 8.5284 118.9399 56.0403 29.2613 174.8013 49 F 5.2394 8.5537 117.8583 56.2718 40.7663 175.1514 50 E 4.8918 9.2719 119.0690 54.2318 33.3300 174.3192 51 E 2.5507 8.5956 122.7107 56.1015 30.3977 176.4447 52 V 3.7886 8.2134 127.8761 64.0717 31.8051 175.7800 53 E 4.7243 8.6434 126.7717 56.3958 29.9137 177.2715 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 8.30 4.50 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 2 K 8.41 4.38 0.00 1.83 1.65 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.62 7.81 3 K 9.00 4.67 0.00 1.68 1.71 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.45 7.81 4 Y 9.13 4.99 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.74 5.12 4.18 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 1.17 0.00 0.00 6 C 9.26 3.30 0.00 2.43 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 7 T 8.50 4.12 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 V 7.72 3.89 2.03 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 0.83 0.00 0.00 0.91 0.00 0.00 9 C 8.19 4.64 0.00 3.08 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 10 G 8.56 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 0.00 0.00 0.00 0.00 11 Y 7.95 4.38 0.00 3.15 2.95 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 0.00 0.00 0.00 12 I 7.33 4.65 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.96 0.83 0.00 0.00 13 Y 9.46 4.33 0.00 3.66 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.87 0.00 2.65 2.55 0.00 0.00 6.92 7.71 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 15 P 0.00 4.20 0.00 2.31 2.60 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 16 E 8.07 3.49 0.00 1.93 2.03 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 2.30 2.31 0.00 17 D 7.98 4.50 0.00 2.67 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 18 G 7.52 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.59 4.98 0.00 3.21 2.84 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 20 P 0.00 4.47 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.26 4.44 0.00 2.75 2.82 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 22 N 8.35 4.89 0.00 3.16 2.93 0.00 0.00 7.09 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 23 G 8.45 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 24 V 7.51 4.17 2.28 0.00 0.00 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 0.60 0.00 0.00 25 N 8.46 4.86 0.00 2.87 2.72 0.00 0.00 7.05 8.03 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 26 P 0.00 4.46 0.00 2.04 2.26 0.00 3.69 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 2.05 2.27 0.00 27 G 9.79 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.41 4.32 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 1.29 0.00 0.00 29 D 8.56 4.49 0.00 2.74 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 30 F 8.99 3.26 0.00 2.50 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 0.00 0.00 0.00 31 K 8.03 3.63 0.00 1.85 1.78 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 32 D 7.50 4.47 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.73 3.46 0.93 0.00 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.12 -0.06 0.00 0.00 34 P 0.00 4.10 0.00 2.20 1.95 0.00 3.39 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 2.06 2.05 0.00 35 D 8.61 4.55 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.69 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.13 4.20 0.00 3.07 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 38 V 6.92 4.23 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 0.69 0.00 0.00 0.64 0.00 0.00 39 C 8.71 3.54 0.00 3.16 2.84 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 40 P 0.00 4.12 0.00 2.08 2.20 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.84 0.00 41 L 7.58 4.41 0.00 1.62 1.74 1.19 0.90 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 42 C 8.01 4.51 0.00 3.02 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 43 G 8.20 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 44 V 7.32 3.90 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 0.75 0.00 0.00 0.97 0.00 0.00 45 G 8.30 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 46 K 8.79 4.29 0.00 1.89 1.97 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.72 7.81 47 D 8.32 4.63 0.00 2.85 2.89 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 48 Q 8.53 4.51 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 49 F 8.55 5.24 0.00 3.31 2.90 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 50 E 9.27 4.89 0.00 1.94 2.01 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 2.14 2.16 0.00 51 E 8.60 2.55 0.00 1.66 1.65 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 1.91 1.47 0.00 52 V 8.21 3.79 2.05 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 0.72 0.00 0.00 0.84 0.00 0.00 53 E 8.64 4.72 0.00 2.02 1.92 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 2.05 1.96 0.00