NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4432 8.2893 118.1977 54.9176 33.1250 174.2758 2 P 4.7062 0.0000 0.0000 61.0820 30.1963 172.5315 3 K 4.7722 9.7600 124.6327 55.7813 35.4783 176.9479 4 H 5.2577 9.4668 124.7175 54.4805 32.3977 171.7904 5 E 4.8582 8.4934 125.6419 55.6265 31.1608 175.0810 6 F 5.2897 9.6574 125.6905 55.7455 42.2616 174.4729 7 S 4.9045 8.9409 118.8216 57.9701 63.7903 173.0116 8 V 4.9614 8.7447 125.5011 60.3592 35.4355 173.2852 9 D 4.8198 8.6651 121.4648 52.3463 41.8844 176.5369 10 M 4.8346 8.1059 125.7816 54.3556 32.1941 176.4593 11 T 4.1786 9.1227 115.5538 64.8712 69.7928 175.1883 12 C 4.8833 7.5730 113.6841 55.1451 32.7427 175.0286 13 G 3.9411 9.0709 109.4998 48.4038 0.0000 175.7961 14 G 3.8231 8.2558 107.1738 47.7146 0.0000 175.2312 15 C 4.1877 8.2986 118.5403 62.6127 28.0735 175.9500 16 A 4.0118 8.2256 122.4381 55.1192 18.1048 179.3348 17 E 3.8895 8.2483 116.3630 59.5829 29.5809 179.2139 18 A 4.0620 8.3353 120.8959 55.2355 18.4605 179.5786 19 V 3.4110 8.1348 116.9915 66.2412 31.5434 177.9653 20 S 4.1488 8.4743 113.2259 61.6078 62.0788 176.2592 21 R 4.1710 8.2123 117.7888 59.5440 28.9682 178.6328 22 V 3.6800 7.8273 120.1821 64.5130 31.5930 178.3929 23 L 3.6827 8.2388 120.6068 56.6410 41.5193 178.8089 24 N 4.3388 8.5572 117.4135 57.0586 38.5673 176.5352 25 K 3.8915 7.5741 119.3431 59.3903 32.1929 177.9715 26 L 4.0426 7.5896 120.1675 58.0822 41.4511 176.8999 27 G 4.2661 8.6203 112.9228 45.3517 0.0000 175.4600 28 G 3.8990 8.0925 112.5508 47.3562 0.0000 174.4164 29 V 3.8494 6.8649 113.0367 62.0662 32.3100 175.4368 30 K 4.9448 8.6057 120.2149 55.1492 36.7273 175.2335 31 Y 5.2199 7.7196 119.8047 56.2555 40.5099 173.7637 32 D 4.7682 9.2531 124.6465 53.4402 43.4712 175.3317 33 I 4.9376 8.1600 123.2308 59.8528 40.5474 174.0773 34 D 4.6290 9.0906 128.6362 52.8386 42.3069 176.7701 35 L 4.1174 8.8183 127.3228 56.9758 42.4100 177.3245 36 P 4.2020 0.0000 0.0000 65.7328 31.1013 176.7560 37 N 4.5881 9.2997 113.7413 52.1293 39.4853 174.9828 38 K 3.9637 8.1790 117.9913 56.9913 29.8732 173.7611 39 K 5.1725 8.8089 118.5282 54.8002 37.9596 176.5680 40 V 4.7647 9.1870 122.6028 61.6194 34.4957 174.2998 41 C 4.9611 9.3196 127.1230 58.6720 28.7982 172.5188 42 I 4.7931 9.0344 125.8311 60.1865 39.2295 174.8843 43 E 5.0224 9.3449 126.7812 54.7896 32.5461 174.2208 44 S 4.9504 8.5845 120.8993 57.0364 65.3134 174.2283 45 E 4.0853 9.1702 125.2738 59.5211 29.5575 177.3977 46 H 4.3898 8.0702 117.1600 55.0176 29.2743 176.1396 47 S 4.4496 8.6542 119.8419 58.2095 64.9324 174.7913 48 M 3.7165 8.5871 120.6966 58.9025 30.3207 178.2366 49 D 4.1748 7.9121 117.9960 57.4694 41.3200 177.9000 50 T 3.8456 7.5637 116.2588 66.9241 68.4915 176.1505 51 L 3.8891 8.3956 120.8738 57.8906 41.6793 179.1873 52 L 3.8689 8.5748 118.2057 58.5886 41.5219 179.8180 53 A 4.2990 7.9440 119.9172 54.7872 18.6275 179.7019 54 T 3.9401 7.3864 114.6762 66.7664 68.6612 177.1151 55 L 3.7821 8.2253 121.1206 57.5934 41.4679 179.4247 56 K 3.8000 8.5168 118.7828 59.8078 31.7821 179.0238 57 K 4.0324 7.8085 117.3510 58.8669 31.9283 178.9869 58 T 4.0354 8.0271 110.2608 62.3636 68.8514 174.5810 59 G 3.9603 8.0897 109.0245 46.1492 0.0000 173.6178 60 K 4.3187 7.3620 118.9806 55.4015 34.3261 178.0884 61 T 4.3008 8.1156 114.8633 63.6162 66.4979 174.8696 62 V 4.1667 7.3482 121.2157 61.5834 33.2320 177.5036 63 S 4.6966 9.4887 119.8151 56.6270 65.8209 171.8062 64 Y 4.3975 8.6901 128.3712 57.0157 40.0695 174.9568 65 L 4.1702 7.6713 127.4953 52.7720 44.1170 176.0160 66 G 3.7088 8.1879 106.7435 47.0976 0.0000 171.8610 67 L 5.2718 8.1705 121.4149 52.4997 43.8240 175.9053 68 E 4.2642 9.0933 126.0006 56.3206 29.7191 175.2352 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 4.44 0.00 2.15 2.20 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 2.63 2.52 0.00 2 P 0.00 4.71 0.00 2.37 2.24 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 3 K 9.76 4.77 0.00 1.80 1.86 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.51 7.81 4 H 9.47 5.26 0.00 3.30 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.49 4.86 0.00 2.11 1.75 0.00 0.00 0.00 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 2.36 0.00 6 F 9.66 5.29 0.00 3.02 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 7 S 8.94 4.90 0.00 3.94 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.74 4.96 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 1.02 0.00 0.00 1.06 0.00 0.00 9 D 8.67 4.82 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.11 4.83 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 11 T 9.12 4.18 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 1.22 0.00 0.00 12 C 7.57 4.88 0.00 3.10 2.97 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 13 G 9.07 3.94 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 0.00 0.00 0.00 14 G 8.26 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 15 C 8.30 4.19 0.00 3.09 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 16 A 8.23 4.01 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 17 E 8.25 3.89 0.00 2.20 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 0.00 2.42 2.55 0.00 18 A 8.34 4.06 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 19 V 8.13 3.41 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 0.77 0.00 0.00 0.92 0.00 0.00 20 S 8.47 4.15 0.00 4.17 4.06 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 0.00 0.00 0.00 0.00 21 R 8.21 4.17 0.00 1.96 2.27 0.00 3.11 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 22 V 7.83 3.68 2.13 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 0.85 0.00 0.00 0.85 0.00 0.00 23 L 8.24 3.68 0.00 0.89 0.72 0.19 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.56 4.34 0.00 2.96 2.91 0.00 0.00 6.94 6.35 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 25 K 7.57 3.89 0.00 1.93 1.84 0.00 1.84 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 26 L 7.59 4.04 0.00 1.57 1.81 0.49 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.62 4.27 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 0.00 0.00 0.00 28 G 8.09 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 0.00 0.00 0.00 0.00 29 V 6.86 3.85 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 0.61 0.00 0.00 1.05 0.00 0.00 30 K 8.61 4.94 0.00 1.66 1.57 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.46 7.81 31 Y 7.72 5.22 0.00 2.94 2.86 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 32 D 9.25 4.77 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.16 4.94 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.96 0.00 0.00 34 D 9.09 4.63 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.82 4.12 0.00 1.76 1.67 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.20 0.00 2.18 2.21 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 37 N 9.30 4.59 0.00 2.95 2.91 0.00 0.00 7.81 7.95 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 38 K 8.18 3.96 0.00 1.94 2.02 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.45 7.81 39 K 8.81 5.17 0.00 1.67 1.70 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 40 V 9.19 4.76 2.18 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 1.02 0.00 0.00 0.95 0.00 0.00 41 C 9.32 4.96 0.00 2.98 2.96 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 42 I 9.03 4.79 2.12 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 1.06 0.00 0.00 43 E 9.34 5.02 0.00 2.01 1.79 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 0.00 2.21 2.23 0.00 44 S 8.58 4.95 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 4.09 0.00 2.10 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 2.30 2.20 0.00 46 H 8.07 4.39 0.00 3.12 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.65 4.45 0.00 4.06 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 48 M 8.59 3.72 0.00 1.43 1.21 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 2.56 2.37 0.00 49 D 7.91 4.17 0.00 2.78 2.68 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 50 T 7.56 3.85 4.34 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 1.23 0.00 0.00 51 L 8.40 3.89 0.00 1.86 1.45 1.06 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.57 3.87 0.00 1.94 1.74 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.94 4.30 1.28 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 0.00 0.00 54 T 7.39 3.94 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 1.08 0.00 0.00 55 L 8.23 3.78 0.00 1.41 1.39 -0.35 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.52 3.80 0.00 1.77 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 57 K 7.81 4.03 0.00 1.75 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 58 T 8.03 4.04 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 1.17 0.00 0.00 59 G 8.09 3.96 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 0.00 0.00 0.00 60 K 7.36 4.32 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.54 7.81 61 T 8.12 4.30 4.26 0.00 0.00 0.00 0.00 0.00 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 62 V 7.35 4.17 2.11 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 0.84 0.00 0.00 1.09 0.00 0.00 63 S 9.49 4.70 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.69 4.40 0.00 2.91 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 65 L 7.67 4.17 0.00 1.41 1.38 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.19 3.71 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 0.00 0.00 0.00 67 L 8.17 5.27 0.00 1.80 1.62 1.03 1.06 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 68 E 9.09 4.26 0.00 2.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00