NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3255 8.2893 120.3503 54.7754 32.2651 174.8741 2 K 3.8622 8.5374 126.4591 56.1989 32.2475 175.2118 3 R 3.6078 8.1627 121.6040 60.1239 31.2548 178.2873 4 T 4.6926 8.2122 108.3998 63.2205 74.5854 175.0838 5 W 5.1127 8.2644 130.3368 57.7062 31.1191 174.7914 6 Q 4.1908 7.4200 120.4458 53.7618 31.8839 173.7932 7 P 4.2208 0.0000 0.0000 61.1667 30.2824 174.1891 8 N 4.6582 7.5891 123.1883 52.0052 40.6011 173.6779 9 R 3.9019 8.3762 127.2665 58.7598 30.1314 178.1516 10 R 3.8713 7.9853 117.2238 60.0680 30.2772 177.7337 11 K 3.9483 7.8889 118.9382 58.8410 32.0923 178.2479 12 R 3.9145 8.0613 118.2823 59.8667 30.2179 178.3734 13 A 4.0304 7.9240 119.6729 55.2528 18.0456 179.8239 14 K 4.0515 8.4316 116.4061 58.7954 32.3623 178.4540 15 T 4.6124 7.3766 105.4295 61.3039 69.0161 174.1409 16 H 4.8789 8.0880 114.9617 56.7643 34.4874 173.9074 17 G 4.4827 8.3831 109.3714 43.6297 0.0000 174.3854 18 F 3.0909 8.9881 115.1612 60.1414 40.0435 177.6010 19 R 3.9144 9.8636 114.7034 59.7902 30.6645 175.2193 20 A 4.1340 8.1458 118.2239 55.7562 18.1094 179.2808 21 R 3.9984 8.8627 116.9119 59.4035 29.9594 178.7384 22 M 3.8917 7.8717 115.3332 56.2745 33.9595 176.8084 23 R 4.5831 8.4951 116.1125 52.4331 30.6942 174.7710 24 T 4.1387 7.0783 110.2611 59.4793 71.6701 170.8295 25 P 4.3224 0.0000 0.0000 66.0334 31.6065 179.1605 26 G 3.6752 8.0692 105.3400 47.2096 0.0000 175.6685 27 G 3.8045 8.0966 107.8087 46.8544 0.0000 176.3878 28 R 3.8668 8.2613 120.7519 59.0556 29.9201 178.7765 29 K 3.8637 7.3834 117.5995 59.5645 32.3225 178.6326 30 V 3.7065 7.3413 117.2192 65.8263 31.3748 177.6870 31 L 3.9318 7.8237 120.1138 58.0018 41.6826 178.8801 32 K 3.7450 7.7763 119.7598 59.1972 31.9511 178.3707 33 R 4.0553 7.9806 119.1446 59.7662 29.8164 178.6444 34 R 3.9422 7.7892 116.7594 59.4397 30.0250 179.0812 35 R 3.8851 8.6115 117.5202 59.4531 30.1397 178.6409 36 Q 4.1435 8.5591 117.4519 59.0442 28.7393 179.2290 37 K 4.1646 7.5477 118.7556 58.2742 32.8909 178.5346 38 G 3.8424 8.8648 105.5401 45.9203 0.0000 174.2826 39 R 4.3210 8.1563 118.2643 55.8259 30.8683 178.1040 40 W 4.3873 9.2138 124.0093 60.1198 29.1492 177.3859 41 R 4.5061 8.2472 113.5638 55.2406 30.6661 178.5222 42 L 3.2460 7.9238 119.8036 56.4215 41.1869 177.1548 43 T 4.0538 9.2158 124.2859 62.3531 66.2687 173.4946 44 P 3.9522 0.0000 0.0000 61.6576 28.3233 175.8386 45 A 4.5094 8.3268 125.8002 51.8118 19.3097 175.7290 46 V 4.6146 7.8779 118.0956 61.7323 35.1333 173.6289 47 R 4.8068 7.7323 118.4525 56.7126 31.4668 175.5659 48 K 4.0021 8.4863 116.4470 58.3560 31.8941 174.3780 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 8.29 4.33 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 K 8.54 3.86 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 R 8.16 3.61 0.00 1.88 1.91 0.00 3.23 0.00 0.00 3.30 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 4 T 8.21 4.69 4.31 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 1.25 0.00 0.00 5 W 8.26 5.11 0.00 3.19 3.01 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 6 Q 7.42 4.19 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 7 P 0.00 4.22 0.00 2.00 1.82 0.00 3.57 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 8 N 7.59 4.66 0.00 2.64 2.63 0.00 0.00 7.09 7.65 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 9 R 8.38 3.90 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 10 R 7.99 3.87 0.00 1.77 2.15 0.00 3.29 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 11 K 7.89 3.95 0.00 2.00 1.85 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 12 R 8.06 3.91 0.00 1.94 2.00 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 13 A 7.92 4.03 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.05 0.00 1.89 1.86 0.00 1.55 0.00 0.00 2.08 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 T 7.38 4.61 4.08 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 1.17 0.00 0.00 16 H 8.09 4.88 0.00 3.34 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.38 4.48 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 0.00 18 F 8.99 3.09 0.00 3.25 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 19 R 9.86 3.91 0.00 2.05 2.08 0.00 3.41 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 20 A 8.15 4.13 1.43 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 0.00 0.00 0.00 21 R 8.86 4.00 0.00 1.94 1.90 0.00 3.31 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 22 M 7.87 3.89 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 23 R 8.50 4.58 0.00 1.90 1.80 0.00 3.42 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 24 T 7.08 4.14 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 1.24 0.00 0.00 25 P 0.00 4.32 0.00 2.29 2.28 0.00 3.74 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 2.02 0.00 26 G 8.07 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 28 R 8.26 3.87 0.00 1.91 1.95 0.00 3.10 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 29 K 7.38 3.86 0.00 1.87 2.09 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 30 V 7.34 3.71 2.15 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 0.93 0.00 0.00 1.01 0.00 0.00 31 L 7.82 3.93 0.00 1.67 1.81 0.91 0.60 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 32 K 7.78 3.74 0.00 1.88 1.84 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 R 7.98 4.06 0.00 1.88 2.15 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 34 R 7.79 3.94 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 35 R 8.61 3.89 0.00 1.69 2.00 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 36 Q 8.56 4.14 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 37 K 7.55 4.16 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.60 7.81 38 G 8.86 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 39 R 8.16 4.32 0.00 2.01 1.98 0.00 3.29 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 40 W 9.21 4.39 0.00 3.16 3.28 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 41 R 8.25 4.51 0.00 1.88 2.03 0.00 3.36 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 42 L 7.92 3.25 0.00 1.85 1.37 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.22 4.05 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 1.05 0.00 0.00 44 P 0.00 3.95 0.00 2.18 2.14 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 45 A 8.33 4.51 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 46 V 7.88 4.61 2.14 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 0.88 0.00 0.00 1.00 0.00 0.00 47 R 7.73 4.81 0.00 1.90 1.88 0.00 3.14 0.00 0.00 3.28 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 48 K 8.49 4.00 0.00 1.83 1.76 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.27 7.81