NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.0870 8.3149 120.1174 55.2783 33.7650 175.5028 2 P 4.1638 0.0000 0.0000 61.6535 32.0338 175.8022 3 D 4.6882 8.4138 119.7730 57.4942 41.4793 178.4319 4 F 4.5017 7.7954 113.8868 59.1573 37.6536 176.5334 5 C 4.4397 7.6218 116.4185 61.7368 27.9929 174.5364 6 F 4.7074 8.1105 118.0990 56.8602 39.5997 176.2500 7 L 4.2293 7.1311 119.1835 54.6894 42.0169 176.9843 8 E 4.3122 8.4690 121.5510 55.4450 30.3304 176.5541 9 E 3.3582 8.1097 119.1197 56.1286 30.0948 176.1772 10 D 4.5084 7.8986 121.0553 51.9777 43.3130 173.8569 11 P 4.5425 0.0000 0.0000 63.5634 31.8464 177.7533 12 G 4.3933 8.0096 105.6980 45.6725 0.0000 172.5290 13 I 4.2373 7.9487 109.6992 61.2558 38.9366 176.7897 14 C 4.4890 7.8431 118.8361 57.2179 40.7958 173.5408 15 R 4.2991 8.2242 119.6160 56.0430 29.6996 176.3458 16 G 3.9682 7.7977 105.3827 44.6316 0.0000 173.5134 17 Y 5.2200 7.8973 118.2148 55.8926 37.6190 174.4155 18 I 4.2931 8.0520 122.7681 60.0958 39.9090 176.6140 19 T 4.2371 8.1878 123.4826 63.2934 69.3528 174.1280 20 R 4.6499 8.1459 123.9593 54.9474 35.5994 173.2239 21 Y 5.6600 9.2435 116.7135 56.7318 42.1698 175.1069 22 F 5.4697 9.5577 115.7717 55.7656 42.2419 173.1231 23 Y 4.4780 9.7821 122.8525 56.4189 39.5791 174.1942 24 N 4.5709 7.7982 127.8350 52.7328 39.7033 174.6065 25 N 4.3812 8.5816 123.8064 53.2627 37.5356 175.6871 26 Q 4.4638 8.6222 120.1556 57.5310 30.8376 176.7058 27 T 4.2564 7.9357 104.3860 60.4912 69.6958 174.1474 28 K 3.6339 7.4808 120.2080 55.5478 30.5962 174.4031 29 Q 4.6493 6.6656 116.1983 54.7441 32.9881 173.0917 30 C 4.7649 9.1839 123.9564 59.8984 28.6517 172.9486 31 E 4.8728 8.7095 123.1125 54.3399 33.4050 174.8073 32 R 4.7303 8.6778 121.6637 55.5560 31.5146 175.1089 33 F 5.0720 9.2016 120.1723 55.4158 42.4013 172.9570 34 K 4.5157 8.5017 118.1057 54.8129 33.5595 175.4669 35 Y 4.6104 8.7802 127.5589 56.1115 40.0696 176.6936 36 G 3.6895 8.0142 114.1026 48.1300 0.0000 174.4638 37 G 3.6486 5.6945 106.0609 45.2459 0.0000 172.1619 38 C 4.7890 7.5302 113.3753 54.7635 44.5884 173.1643 39 L 3.9247 8.5403 118.5842 55.8614 39.6172 174.9098 40 G 4.2514 7.8324 116.5006 45.5961 0.0000 171.8484 41 N 5.0521 8.2116 121.6575 51.0126 40.6247 174.6485 42 M 3.7020 8.3892 117.0625 57.8534 32.4588 177.2460 43 N 4.3062 7.5093 119.5074 51.3391 37.3731 175.1199 44 N 4.7773 6.2926 116.5046 52.8658 40.5271 172.8311 45 F 5.0808 9.1828 125.1003 55.4225 41.5864 177.3276 46 E 4.1440 9.1052 123.2685 58.7475 29.5473 177.5257 47 T 4.8094 7.4884 106.4598 58.8638 73.3337 174.6040 48 L 3.2151 7.5471 122.7968 57.6748 42.0234 178.5189 49 E 3.7670 7.8760 118.8725 59.4160 29.5873 178.0988 50 E 3.7935 7.6824 118.4171 59.7679 29.6072 178.8203 51 C 2.7924 7.4276 117.6125 62.3104 31.5779 175.8994 52 K 3.8025 7.9014 119.6506 59.5499 31.4194 178.8432 53 N 4.1871 7.7847 115.3150 56.4746 38.5382 177.0762 54 I 3.8693 7.3244 119.4073 63.5245 37.5884 177.2520 55 C 4.1223 7.9907 114.7897 60.1855 29.2870 173.7409 56 E 4.0244 7.5980 119.3227 54.9603 30.4662 175.0992 57 D 4.3626 6.9092 119.3960 53.3301 44.2178 176.9592 58 G 3.6923 8.6600 113.0717 46.5686 0.0000 172.2823 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 K 8.31 4.09 0.00 1.58 1.47 0.00 1.42 0.00 0.00 1.22 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.33 7.81 2 P 0.00 4.16 0.00 0.61 1.46 0.00 3.19 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 3 D 8.41 4.69 0.00 2.77 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 4 F 7.80 4.50 0.00 3.26 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.44 0.00 2.43 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.71 0.00 3.20 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 7 L 7.13 4.23 0.00 1.67 1.66 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.47 4.31 0.00 1.93 1.83 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 2.35 2.33 0.00 9 E 8.11 3.36 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 1.83 1.90 0.00 10 D 7.90 4.51 0.00 2.65 2.48 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 11 P 0.00 4.54 0.00 2.28 2.30 0.00 3.71 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 2.17 2.27 0.00 12 G 8.01 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 4.24 1.86 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 1.40 0.70 0.91 0.00 0.00 14 C 7.84 4.49 0.00 2.84 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 15 R 8.22 4.30 0.00 1.75 1.89 0.00 3.17 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 16 G 7.80 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 5.22 0.00 2.83 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 18 I 8.05 4.29 1.94 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 1.19 0.80 0.91 0.00 0.00 19 T 8.19 4.24 4.10 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 0.88 0.00 0.00 20 R 8.15 4.65 0.00 0.83 1.85 0.00 3.25 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 21 Y 9.24 5.66 0.00 3.20 3.04 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 22 F 9.56 5.47 0.00 3.15 2.87 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 0.00 0.00 0.00 23 Y 9.78 4.48 0.00 3.05 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 24 N 7.80 4.57 0.00 2.41 2.46 0.00 0.00 6.66 6.21 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 25 N 8.58 4.38 0.00 3.03 2.95 0.00 0.00 6.11 7.39 0.00 0.00 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 Q 8.62 4.46 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 27 T 7.94 4.26 4.16 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 1.18 0.00 0.00 28 K 7.48 3.63 0.00 1.90 1.99 0.00 1.81 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.50 7.81 29 Q 6.67 4.65 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 30 C 9.18 4.76 0.00 2.99 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 31 E 8.71 4.87 0.00 1.55 1.89 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 2.17 2.19 0.00 32 R 8.68 4.73 0.00 1.79 1.86 0.00 3.14 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.00 33 F 9.20 5.07 0.00 2.99 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 34 K 8.50 4.52 0.00 1.58 1.49 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.31 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.07 0.89 7.81 35 Y 8.78 4.61 0.00 2.51 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 0.00 36 G 8.01 3.69 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 0.00 0.00 0.00 0.00 37 G 5.69 3.65 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 0.00 0.00 0.00 38 C 7.53 4.79 0.00 3.06 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 39 L 8.54 3.92 0.00 1.77 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.83 4.25 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 0.00 41 N 8.21 5.05 0.00 2.73 2.75 0.00 0.00 5.89 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 42 M 8.39 3.70 0.00 0.95 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 43 N 7.51 4.31 0.00 2.99 2.86 0.00 0.00 6.89 7.70 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 44 N 6.29 4.78 0.00 2.51 2.51 0.00 0.00 7.15 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 9.18 5.08 0.00 3.22 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 46 E 9.11 4.14 0.00 2.22 2.08 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 2.34 2.32 0.00 47 T 7.49 4.81 4.16 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 1.24 0.00 0.00 48 L 7.55 3.22 0.00 0.63 1.25 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.88 3.77 0.00 1.97 1.85 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 2.31 2.34 0.00 50 E 7.68 3.79 0.00 2.14 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 2.34 2.33 0.00 51 C 7.43 2.79 0.00 3.04 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 52 K 7.90 3.80 0.00 1.87 1.75 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.76 1.57 7.81 53 N 7.78 4.19 0.00 2.76 2.80 0.00 0.00 7.12 6.99 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 54 I 7.32 3.87 1.47 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 1.00 0.00 0.00 55 C 7.99 4.12 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.60 4.02 0.00 2.05 1.80 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 2.43 2.21 0.00 57 D 6.91 4.36 0.00 2.52 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 0.00 0.00 0.00 58 G 8.66 3.69 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 0.00 0.00 0.00 0.00