NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1823 8.2549 119.6878 54.9077 31.8668 175.0875 2 P 4.0419 0.0000 0.0000 62.1474 31.8554 176.3478 3 D 4.3850 8.3979 121.5750 57.1107 41.8025 178.6351 4 F 4.3264 7.9470 114.6526 59.7286 37.5479 177.8046 5 C 4.6947 7.5060 115.9934 59.0736 40.0227 174.6580 6 L 4.3910 7.8125 118.8390 53.9037 42.0701 176.3860 7 E 4.3777 7.4961 119.4119 54.6372 30.3849 174.9362 8 P 4.3906 0.0000 0.0000 61.5178 32.1102 174.4168 9 P 3.5491 0.0000 0.0000 62.7842 31.2958 175.1660 10 Y 4.6422 7.8483 121.2526 56.1109 40.4643 175.3726 11 T 4.1753 8.3363 125.2492 65.0512 68.8891 176.0554 12 G 3.6315 6.8480 105.4240 43.9659 0.0000 171.1408 13 P 4.1880 0.0000 0.0000 64.5549 31.9157 177.7330 14 C 4.1968 7.6963 116.5702 56.7422 40.6806 173.3028 15 W 4.9855 8.2359 119.8407 56.8044 29.1064 176.4657 16 A 4.4026 7.9065 120.9657 51.0641 20.4299 177.8020 17 R 4.7348 8.0757 117.6298 54.5012 29.5123 172.9860 18 I 4.4292 8.3747 122.4685 59.1057 39.8186 175.3170 19 I 4.2068 8.2885 128.2791 61.2980 37.7572 175.4261 20 R 4.8650 8.3911 124.8207 54.7860 35.2132 173.3887 21 Y 5.6456 9.5962 117.7286 56.5341 41.2391 175.3331 22 F 5.7640 9.5927 117.1461 55.3987 42.1025 172.8605 23 Y 4.4670 9.9952 122.6176 57.1747 40.2216 173.7014 24 N 4.8703 7.9357 125.9347 51.5624 39.3820 174.8165 25 A 3.8174 8.4829 130.0818 54.9528 18.8478 178.8984 26 K 4.0309 7.9767 114.0697 58.9770 32.1821 177.9780 27 A 4.2197 7.9585 119.6383 51.8527 19.6968 177.9050 28 G 4.0253 9.0323 103.7182 45.0739 0.0000 172.5929 29 L 4.8024 6.8294 118.4363 54.2516 44.3758 175.1630 30 C 4.9178 8.6474 116.6676 56.3586 39.6987 173.1055 31 Q 4.8833 8.6560 123.5872 54.3209 32.4811 174.3848 32 T 4.8824 8.4771 113.0751 61.3792 70.6730 173.3823 33 F 4.9860 8.8339 116.8123 56.1423 42.0367 172.7679 34 V 4.4223 8.4275 119.6423 61.8629 32.5345 174.0999 35 Y 4.8028 8.8250 130.1047 56.0146 40.3349 176.5237 36 G 3.8169 8.2656 113.6240 46.4395 0.0000 175.0392 37 G 3.7573 6.2175 107.3068 45.2709 0.0000 172.4928 38 C 5.0099 6.7255 111.4083 54.0975 44.6627 173.1609 39 R 3.8270 8.8496 116.4340 56.9976 27.1051 176.8202 40 A 4.2059 8.3743 119.2982 52.4999 18.9279 178.5549 41 K 4.2970 8.3387 121.2142 55.1240 33.5279 177.5397 42 R 3.4553 8.0083 118.3609 58.8770 30.3599 177.6630 43 N 4.8538 7.7451 118.0070 51.4456 37.4652 174.3517 44 N 5.1419 6.6975 116.5934 52.7868 41.6719 173.0811 45 F 5.0302 9.6063 124.7490 55.6486 42.5271 176.4380 46 K 4.6021 8.8491 121.5796 58.0033 32.8066 177.8248 47 S 4.4591 7.7644 112.9458 55.4348 67.2731 174.5938 48 A 3.3633 7.2921 124.8212 54.8533 18.0234 179.8111 49 E 3.7269 7.7743 117.3825 59.5644 29.8452 178.5799 50 D 4.2738 7.9515 118.8401 57.4369 40.8579 178.0627 51 C 2.4500 7.6191 118.5913 59.0885 44.6208 175.7041 52 L 3.8255 7.9570 120.9113 57.7634 40.9290 179.7371 53 R 3.9018 7.9224 117.2987 58.7902 29.9877 178.3626 54 T 4.3076 7.1769 113.9397 64.5781 69.5194 174.8321 55 C 4.4968 8.2160 115.9423 55.6945 42.1097 174.0613 56 G 3.7818 7.3363 109.2224 47.4082 0.0000 174.1290 57 G 3.8597 8.9344 112.0600 45.0924 0.0000 173.1122 58 A 4.0628 7.3062 127.3881 52.3695 18.2438 177.3773 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 R 8.25 4.18 0.00 1.66 1.69 0.00 3.35 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 2 P 0.00 4.04 0.00 0.68 1.54 0.00 3.23 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 3 D 8.40 4.38 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.95 4.33 0.00 3.21 3.34 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 5 C 7.51 4.69 0.00 2.98 3.20 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 0.00 6 L 7.81 4.39 0.00 1.73 1.76 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.50 4.38 0.00 2.22 1.90 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 2.41 2.44 0.00 8 P 0.00 4.39 0.00 2.07 2.01 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.55 0.00 0.69 0.49 0.00 3.24 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.00 10 Y 7.85 4.64 0.00 2.79 2.88 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 0.00 0.00 0.00 11 T 8.34 4.18 4.15 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 0.00 0.00 0.00 1.23 0.00 0.00 12 G 6.85 3.63 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 0.00 0.00 0.00 13 P 0.00 4.19 0.00 1.96 2.08 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 14 C 7.70 4.20 0.00 2.82 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 15 W 8.24 4.99 0.00 3.40 2.93 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 16 A 7.91 4.40 1.21 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 0.00 0.00 17 R 8.08 4.73 0.00 1.75 1.77 0.00 3.20 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 18 I 8.37 4.43 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.98 0.00 0.00 19 I 8.29 4.21 1.82 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 1.27 0.41 0.69 0.00 0.00 20 R 8.39 4.86 0.00 0.85 1.91 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 21 Y 9.60 5.65 0.00 3.15 3.03 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 0.00 0.00 0.00 22 F 9.59 5.76 0.00 3.10 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 23 Y 10.00 4.47 0.00 3.08 3.02 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 0.00 0.00 0.00 0.00 24 N 7.94 4.87 0.00 2.30 2.43 0.00 0.00 6.72 8.24 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 25 A 8.48 3.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.03 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.96 4.22 1.17 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 28 G 9.03 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.83 4.80 0.00 1.69 1.72 0.80 0.62 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 30 C 8.65 4.92 0.00 2.90 3.16 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 31 Q 8.66 4.88 0.00 1.78 1.11 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 2.33 2.49 0.00 32 T 8.48 4.88 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 0.77 0.00 0.00 33 F 8.83 4.99 0.00 3.04 3.18 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 0.00 34 V 8.43 4.42 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 0.74 0.00 0.00 0.92 0.00 0.00 35 Y 8.82 4.80 0.00 2.53 2.71 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 36 G 8.27 3.82 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 0.00 0.00 0.00 37 G 6.22 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 0.00 0.00 0.00 38 C 6.73 5.01 0.00 3.02 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 39 R 8.85 3.83 0.00 2.23 2.22 0.00 3.23 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 40 A 8.37 4.21 0.93 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 0.00 0.00 41 K 8.34 4.30 0.00 1.73 1.66 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.48 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.07 1.12 7.81 42 R 8.01 3.46 0.00 0.89 0.66 0.00 2.53 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 0.00 43 N 7.75 4.85 0.00 3.22 2.90 0.00 0.00 6.69 7.79 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 44 N 6.70 5.14 0.00 2.68 2.57 0.00 0.00 7.08 7.02 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 45 F 9.61 5.03 0.00 3.28 2.99 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 46 K 8.85 4.60 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.76 4.46 0.00 3.85 3.88 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 0.00 0.00 0.00 48 A 7.29 3.36 0.93 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 0.00 0.00 49 E 7.77 3.73 0.00 1.95 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 2.31 2.33 0.00 50 D 7.95 4.27 0.00 2.97 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 51 C 7.62 2.45 0.00 2.70 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 52 L 7.96 3.83 0.00 1.58 1.61 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.92 3.90 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 54 T 7.18 4.31 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 1.60 0.00 0.00 55 C 8.22 4.50 0.00 2.70 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.34 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 57 G 8.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.31 4.06 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00