NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6226 8.2516 119.7553 55.6212 33.6803 174.2169 2 E 4.4154 9.3776 126.7205 56.6969 32.2156 173.9911 3 Q 4.9712 8.0846 116.3421 54.2150 34.1014 174.1865 4 R 5.2062 8.4222 121.0724 55.2707 33.0969 173.9926 5 I 5.0447 9.0428 119.2857 59.0846 41.7822 174.9999 6 T 3.8298 8.4640 112.8167 61.1522 69.5349 174.9210 7 L 3.8774 8.3803 125.0790 58.4271 41.8891 179.4804 8 K 3.9121 7.8994 118.8235 59.6984 32.1223 178.3453 9 D 4.3171 8.2232 119.1713 57.3481 40.6182 178.0851 10 Y 3.9990 8.5474 120.3122 60.6476 38.8802 177.9712 11 A 4.2198 8.3579 123.1926 55.0727 18.3045 179.5235 12 M 4.0355 8.1108 116.2384 58.4747 32.0473 178.7455 13 R 3.6886 7.8976 118.1598 58.4756 30.2722 177.5953 14 F 4.8166 8.3019 114.8531 55.6387 41.3681 176.9291 15 G 4.1400 8.1646 103.5872 45.6485 0.0000 174.1945 16 Q 4.0289 8.6913 120.1874 59.3870 29.0233 179.0246 17 T 3.8787 7.8653 116.1089 66.6077 68.6471 176.4595 18 K 3.9969 8.0710 121.0037 59.7019 32.1708 178.5990 19 T 3.9917 8.1966 115.8439 66.7558 68.4571 176.3459 20 A 4.0569 8.1859 122.4952 55.0569 18.4804 179.5959 21 K 3.8610 8.1281 118.1407 59.8257 32.0751 178.7957 22 D 4.3998 8.4686 118.4016 56.5452 40.7873 177.7230 23 L 4.4856 7.5325 116.9656 53.2842 42.4561 176.4258 24 G 3.7956 7.7561 106.4339 46.8870 0.0000 173.7231 25 V 4.3322 7.5294 110.8449 58.7651 35.6299 175.3794 26 Y 4.4427 7.9669 117.9990 57.0978 38.7808 175.1700 27 P 4.3220 0.0000 0.0000 66.1141 31.3015 179.0388 28 S 4.1709 8.2522 112.2971 61.6932 62.6799 176.7223 29 S 4.1609 8.1603 118.7047 61.3368 62.5574 176.6697 30 I 3.6759 7.6960 121.9919 64.3745 36.9623 177.6994 31 N 4.3074 8.2605 117.7831 57.0350 38.7471 176.9211 32 Q 4.0145 8.5031 119.4881 58.8497 28.8640 178.6203 33 A 4.0003 8.1356 121.9475 55.0660 18.4109 179.8125 34 I 3.6418 7.8976 118.3831 64.8552 37.0029 178.1479 35 H 4.1553 8.2609 117.6710 59.1124 29.7683 176.6336 36 A 4.1797 8.2241 120.9723 52.2674 18.3068 177.6441 37 G 3.8341 7.9181 105.0183 46.3072 0.0000 174.4012 38 R 3.9905 7.5976 117.5323 55.8209 30.9272 178.0798 39 K 4.3539 8.4916 122.9604 55.1561 30.9150 174.6118 40 I 5.1374 7.3956 122.7258 59.2816 40.7453 174.7861 41 F 5.0327 9.4441 124.7085 55.6250 42.9271 173.7691 42 L 4.9218 9.1589 123.1083 53.3631 44.2226 175.3953 43 T 4.7666 8.4049 120.2335 61.8272 71.0795 173.4663 44 I 4.6459 8.6059 127.6372 59.6162 39.2040 175.6480 45 N 4.8459 9.2319 125.4096 52.3091 39.3338 176.4411 46 A 4.6056 8.7500 122.3257 54.7732 18.5228 178.4309 47 D 4.5217 8.0491 112.7980 53.8350 39.7904 177.2957 48 G 3.9807 8.3056 109.8385 45.0730 0.0000 174.2928 49 S 4.3934 8.3830 115.2881 58.4946 64.3013 173.5899 50 V 5.0603 8.2678 120.9914 61.4700 34.4097 173.8294 51 Y 5.0730 8.4731 124.0247 55.4802 41.9711 173.5119 52 A 5.2633 8.6841 120.3185 50.3773 22.4715 175.2186 53 E 4.8663 9.2701 118.0251 54.6361 34.4557 174.1709 54 E 5.2306 8.8424 122.4618 54.5106 32.3744 174.9980 55 V 4.3575 8.5969 126.7944 61.6693 32.6061 175.3627 56 K 4.7522 8.4827 125.7214 53.7378 36.1464 174.4170 57 P 4.4601 0.0000 0.0000 62.8300 31.8807 175.6789 58 F 4.7426 8.4382 122.0851 55.5612 41.7304 173.2182 59 P 3.6933 0.0000 0.0000 61.4794 32.1836 176.1632 60 S 4.2147 8.3037 112.0443 58.7197 62.2223 173.6968 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 8.25 4.62 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 E 9.38 4.42 0.00 2.08 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 2.22 2.38 0.00 3 Q 8.08 4.97 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 4 R 8.42 5.21 0.00 1.77 1.78 0.00 3.14 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 5 I 9.04 5.04 1.96 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 1.53 1.07 0.99 0.00 0.00 6 T 8.46 3.83 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 1.02 0.00 0.00 7 L 8.38 3.88 0.00 1.66 1.60 0.87 0.80 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 8 K 7.90 3.91 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.53 7.81 9 D 8.22 4.32 0.00 2.89 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 10 Y 8.55 4.00 0.00 3.17 3.10 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 0.00 0.00 0.00 11 A 8.36 4.22 1.46 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 0.00 0.00 0.00 12 M 8.11 4.04 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 13 R 7.90 3.69 0.00 1.40 1.42 0.00 2.79 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 14 F 8.30 4.82 0.00 2.96 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 15 G 8.16 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 0.00 0.00 0.00 16 Q 8.69 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 17 T 7.87 3.88 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 1.24 0.00 0.00 18 K 8.07 4.00 0.00 1.87 2.05 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.61 1.56 7.81 19 T 8.20 3.99 4.47 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 1.21 0.00 0.00 20 A 8.19 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.13 3.86 0.00 1.90 1.95 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 22 D 8.47 4.40 0.00 2.77 2.65 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 0.00 0.00 0.00 23 L 7.53 4.49 0.00 1.49 1.65 0.82 0.98 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 24 G 7.76 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.53 4.33 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 0.77 0.00 0.00 0.91 0.00 0.00 26 Y 7.97 4.44 0.00 3.14 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 27 P 0.00 4.32 0.00 2.21 2.17 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 28 S 8.25 4.17 0.00 4.06 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 29 S 8.16 4.16 0.00 4.12 3.99 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 0.00 0.00 0.00 30 I 7.70 3.68 2.05 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 1.55 1.18 0.94 0.00 0.00 31 N 8.26 4.31 0.00 3.05 2.83 0.00 0.00 7.32 6.94 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 32 Q 8.50 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 33 A 8.14 4.00 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 34 I 7.90 3.64 2.01 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 1.39 0.88 0.92 0.00 0.00 35 H 8.26 4.16 0.00 3.18 3.51 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.22 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 37 G 7.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.60 3.99 0.00 1.73 2.00 0.00 3.17 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 39 K 8.49 4.35 0.00 1.79 1.96 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.48 7.81 40 I 7.40 5.14 1.78 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 1.36 0.72 0.87 0.00 0.00 41 F 9.44 5.03 0.00 2.97 2.94 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 42 L 9.16 4.92 0.00 1.43 1.23 0.77 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.40 4.77 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 1.07 0.00 0.00 44 I 8.61 4.65 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.93 0.00 0.00 45 N 9.23 4.85 0.00 2.99 2.79 0.00 0.00 6.47 7.09 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 46 A 8.75 4.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.52 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.31 3.98 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 0.00 0.00 0.00 49 S 8.38 4.39 0.00 3.96 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 50 V 8.27 5.06 2.02 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 0.66 0.00 0.00 0.97 0.00 0.00 51 Y 8.47 5.07 0.00 3.06 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 52 A 8.68 5.26 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.27 4.87 0.00 1.99 1.88 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 2.36 2.49 0.00 54 E 8.84 5.23 0.00 1.98 1.84 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 2.22 2.47 0.00 55 V 8.60 4.36 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 0.84 0.00 0.00 0.97 0.00 0.00 56 K 8.48 4.75 0.00 1.78 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.49 7.81 57 P 0.00 4.46 0.00 2.05 2.02 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 58 F 8.44 4.74 0.00 2.93 2.91 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 59 P 0.00 3.69 0.00 1.91 1.38 0.00 3.65 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 60 S 8.30 4.21 0.00 3.85 3.76 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