NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2166 8.0249 114.2693 60.6194 38.2517 174.3626 4 K 4.3661 7.8888 124.0380 54.7985 34.4111 171.7739 5 V 4.3268 8.3004 120.7854 61.8648 34.3825 173.0793 6 R 4.1855 8.6797 124.7435 57.8827 31.7791 175.7724 7 E 3.5731 8.4408 114.6940 57.1016 26.4696 174.5833 8 N 4.2406 8.4726 120.7723 53.5621 39.2331 170.4962 9 E 3.5782 8.5886 127.9743 54.6678 30.5307 172.2464 10 P 3.9377 0.0000 0.0000 62.5619 31.9909 175.3471 11 F 4.7344 8.4748 118.7413 56.1651 39.7894 172.8400 12 D 4.4406 8.4308 120.9259 55.0383 39.3959 173.4674 13 V 4.0486 8.0217 116.5712 60.1818 32.5473 175.4252 14 A 3.7575 8.2543 126.8112 53.1407 18.5724 177.5211 15 L 3.6407 7.6080 115.4566 55.9605 40.6960 175.9456 16 R 4.2654 7.9403 115.1183 56.9377 30.9675 178.7819 17 R 3.9329 8.2257 118.1075 59.7150 29.8552 178.0474 18 F 4.4199 8.3403 119.3255 61.4002 39.1968 176.5861 19 K 3.8341 7.6901 118.1410 58.9061 32.1363 176.9913 20 R 4.7615 7.5967 112.6985 54.6821 31.8895 176.2213 21 S 4.4513 8.2273 112.7359 58.0755 62.0105 173.3753 22 C 5.1039 7.2284 121.6465 57.8227 32.4905 173.2670 23 E 4.5129 6.6865 121.1692 55.4484 32.9420 174.8563 24 K 3.6399 8.4523 124.0105 57.9444 32.0713 179.3907 25 A 4.2074 8.7671 115.6879 53.4677 18.3679 177.5246 26 G 4.3536 8.9706 112.8495 46.1624 0.0000 176.3552 27 V 3.4431 7.5289 117.1910 63.8161 32.3427 175.6838 28 L 4.4624 7.9781 119.0991 56.4411 43.7252 177.9503 29 A 4.2092 8.1685 118.3267 55.3340 18.0428 178.6606 30 E 4.0775 7.5768 116.7284 58.7489 29.8685 178.1799 31 V 3.8119 7.8888 116.4710 63.6356 31.8611 177.1087 32 R 3.9969 7.9598 117.3298 58.6921 30.0248 175.3550 33 R 4.5650 7.3553 115.3129 53.1931 33.1780 174.6512 34 R 4.0110 8.3333 115.7327 56.2097 30.0917 178.3595 35 E 3.8824 8.1306 117.9408 55.9639 28.9682 176.8385 36 F 4.7509 7.0477 116.9714 60.4161 41.8563 176.2313 37 Y 4.0027 8.0191 121.1146 58.7389 36.3133 170.5025 38 E 4.6115 7.8848 115.9788 56.5944 32.0428 177.2275 39 K 3.8554 8.1145 118.2967 58.7085 32.6054 177.4563 40 P 3.8219 0.0000 0.0000 65.8091 31.4431 178.5219 41 T 3.5790 7.0477 108.9340 62.9895 69.4244 173.8090 42 T 4.1561 7.4765 109.7102 61.1661 70.5973 175.6881 43 E 3.7570 5.9000 121.8683 58.6455 31.2618 178.2433 44 R 4.1109 7.8196 116.8043 58.4962 30.6682 178.0677 45 K 4.5000 8.4569 115.8992 57.2020 32.4190 178.3267 46 R 4.4856 7.6630 117.5353 56.1356 31.4070 177.1992 47 A 4.1184 7.5687 120.2989 54.2620 18.2581 179.6272 48 K 3.8079 7.9401 117.3490 59.8539 32.8411 178.7109 49 A 4.1542 7.8479 119.8125 53.3653 18.5284 178.3648 50 S 4.4192 7.7146 110.8828 60.1055 63.2695 175.6792 51 A 4.1292 8.4877 122.7129 54.3558 18.1252 179.3908 52 V 3.7017 7.6831 117.3471 63.9762 31.2101 176.1769 53 K 4.1274 7.8702 124.5943 56.4027 32.3868 175.2776 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 3 I 8.02 4.22 1.80 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 1.26 0.96 0.30 0.00 0.00 4 K 7.89 4.37 0.00 1.88 1.81 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.60 7.81 5 V 8.30 4.33 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 0.86 0.00 0.00 1.02 0.00 0.00 6 R 8.68 4.19 0.00 1.78 1.89 0.00 3.43 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 7 E 8.44 3.57 0.00 2.35 2.44 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 2.35 2.40 0.00 8 N 8.47 4.24 0.00 2.72 2.77 0.00 0.00 7.12 7.66 0.00 0.00 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 E 8.59 3.58 0.00 2.06 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 2.33 2.37 0.00 10 P 0.00 3.94 0.00 2.10 1.88 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 11 F 8.47 4.73 0.00 2.99 3.19 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 12 D 8.43 4.44 0.00 2.81 2.77 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 13 V 8.02 4.05 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 0.46 0.00 0.00 0.82 0.00 0.00 14 A 8.25 3.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 3.64 0.00 1.78 1.77 0.94 0.86 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 16 R 7.94 4.27 0.00 1.98 1.96 0.00 3.28 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 17 R 8.23 3.93 0.00 1.88 2.06 0.00 3.31 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 18 F 8.34 4.42 0.00 2.98 3.09 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 19 K 7.69 3.83 0.00 1.85 1.87 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.53 7.81 20 R 7.60 4.76 0.00 1.91 1.86 0.00 3.18 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 21 S 8.23 4.45 0.00 3.97 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 22 C 7.23 5.10 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 23 E 6.69 4.51 0.00 1.83 1.71 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 2.10 2.03 0.00 24 K 8.45 3.64 0.00 2.07 0.78 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.34 7.81 25 A 8.77 4.21 1.25 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 0.00 0.00 0.00 26 G 8.97 4.35 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 0.00 27 V 7.53 3.44 2.19 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 0.79 0.00 0.00 0.96 0.00 0.00 28 L 7.98 4.46 0.00 1.68 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.17 4.21 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 30 E 7.58 4.08 0.00 1.90 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 0.00 2.27 2.53 0.00 31 V 7.89 3.81 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 0.80 0.00 0.00 0.92 0.00 0.00 32 R 7.96 4.00 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 33 R 7.36 4.56 0.00 1.75 1.76 0.00 3.30 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 34 R 8.33 4.01 0.00 1.94 2.02 0.00 2.98 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 35 E 8.13 3.88 0.00 1.16 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 0.00 0.00 0.00 2.08 2.26 0.00 36 F 7.05 4.75 0.00 2.89 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 37 Y 8.02 4.00 0.00 3.21 3.11 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 0.00 0.00 0.00 38 E 7.88 4.61 0.00 2.06 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 2.30 2.39 0.00 39 K 8.11 3.86 0.00 1.93 1.77 0.00 1.95 0.00 0.00 1.84 0.00 0.00 3.52 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.54 7.81 40 P 0.00 3.82 0.00 2.13 2.12 0.00 3.73 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 2.05 1.99 0.00 41 T 7.05 3.58 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 1.25 0.00 0.00 42 T 7.48 4.16 4.20 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 0.00 0.00 0.00 1.25 0.00 0.00 43 E 5.90 3.76 0.00 1.84 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 2.25 2.30 0.00 44 R 7.82 4.11 0.00 1.61 1.80 0.00 2.83 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 45 K 8.46 4.50 0.00 1.82 1.78 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 46 R 7.66 4.49 0.00 1.89 1.89 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 47 A 7.57 4.12 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.94 3.81 0.00 2.03 2.06 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 49 A 7.85 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.42 0.00 3.88 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 51 A 8.49 4.13 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 52 V 7.68 3.70 2.21 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 0.78 0.00 0.00 0.93 0.00 0.00 53 K 7.87 4.13 0.00 1.68 1.64 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81