NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3288 8.4444 116.7577 55.4386 32.1201 175.4044 3 S 4.2768 7.9642 115.4886 57.6377 63.5697 172.9776 4 F 4.0937 9.1146 131.5210 61.4047 39.7688 176.0939 5 L 3.8425 8.1782 119.3549 58.2486 41.8932 178.4352 6 L 3.9758 7.9639 120.3254 58.2801 41.9787 179.1477 7 S 4.3496 7.8069 115.0020 60.7683 62.9012 176.6886 8 K 3.8095 7.6038 121.6750 59.0480 31.7518 179.4870 9 V 3.6631 7.9106 118.7919 66.1480 31.4923 178.3259 10 S 4.2057 8.2137 113.9646 61.0342 62.8509 176.0617 11 F 3.9324 8.2730 124.5260 61.3548 39.1638 177.3630 12 V 3.5502 7.9619 117.7591 65.6672 31.2019 177.9364 13 I 3.7930 7.9355 119.7805 64.4037 37.0205 178.0757 14 K 3.8966 8.0649 120.3099 59.4089 31.9187 178.6108 15 K 3.7027 7.8429 119.7273 59.5988 32.0709 178.9320 16 I 3.7026 7.7662 120.0718 64.0632 36.9128 178.2103 17 R 3.8649 8.0606 119.6926 59.6303 29.9152 178.5918 18 L 3.9447 7.9750 118.5366 57.7941 41.3697 179.2435 19 E 3.9826 8.0273 117.5221 59.3993 29.5613 179.0594 20 K 4.2723 8.3402 115.9278 56.4016 32.1993 177.4680 21 G 3.8752 7.8178 107.3016 46.6905 0.0000 173.4116 22 M 4.7073 7.9950 118.5865 53.5413 34.0751 176.9349 23 T 4.3802 9.0458 113.5086 60.7533 71.7692 176.0843 24 Q 4.0154 8.4741 119.7048 59.2607 28.5806 179.0546 25 E 4.0482 8.1667 119.0001 59.4520 29.4857 178.8011 26 D 4.4373 8.1622 118.9464 57.5298 40.9311 178.8172 27 L 3.9822 8.0379 120.4422 57.7598 42.0708 178.6568 28 A 4.0034 8.4987 121.3070 55.3699 17.8545 178.8567 29 Y 4.0308 8.2285 118.0076 61.0326 38.7024 178.6330 30 K 3.8531 8.2141 117.4821 58.5298 32.5706 178.6143 31 S 4.4304 8.1064 114.3001 57.5373 63.0467 174.3330 32 N 4.0748 7.4598 116.6461 54.2011 36.3350 173.8054 33 L 4.7123 7.5170 116.4785 52.6174 44.9348 176.3902 34 D 4.6111 8.2649 118.7503 53.7239 43.0881 176.7179 35 R 3.9894 8.7467 125.9964 60.0518 30.1679 179.3350 36 T 3.8974 8.1361 108.5739 64.9979 68.3619 175.6158 37 Y 4.1349 7.9026 121.9108 60.3814 38.9028 177.6830 38 I 3.6385 7.7779 120.4203 64.3518 37.3459 177.9924 39 S 4.2447 8.3799 114.5452 61.6586 62.0643 176.5881 40 G 3.6608 8.4184 108.4308 47.8175 0.0000 175.6250 41 I 3.5376 7.6038 122.2632 64.1751 36.9262 178.2445 42 E 4.1474 8.0099 117.3035 58.0763 29.3451 178.3470 43 R 4.4286 7.0998 115.1884 55.0116 30.5916 175.7063 44 N 4.2958 8.1386 115.9028 54.5415 36.3819 175.3416 45 S 4.7845 8.3395 109.6315 57.7401 63.7209 173.6516 46 R 4.6157 7.5776 118.8294 54.4840 32.8918 174.8999 47 N 4.6743 8.5262 119.7459 53.0645 39.9808 174.0583 48 L 4.7813 8.2607 121.7269 52.1698 44.9361 176.4002 49 T 4.4101 8.4649 116.7202 60.9089 71.4186 175.6975 50 I 3.7597 8.1614 121.7756 64.4813 37.0896 178.8144 51 K 3.9569 8.0326 118.8731 59.6325 31.8383 179.4281 52 S 4.1658 8.2700 115.4682 61.3460 62.6368 176.4279 53 L 3.8464 7.9223 123.2147 58.0413 41.9004 178.6595 54 E 3.8139 8.4399 119.5643 59.1805 29.5185 178.7633 55 L 3.9576 7.8801 119.0440 57.8703 41.6055 179.6015 56 I 3.7608 7.8720 121.3840 64.1643 37.0332 178.4612 57 M 3.9343 8.1516 119.8125 58.0075 31.6557 178.8228 58 K 4.0202 8.0147 119.9545 59.3576 32.1743 179.1526 59 G 3.6115 7.9872 105.0909 47.7298 0.0000 175.1281 60 L 4.1407 8.2062 119.2853 54.4335 42.8513 176.4910 61 E 3.8154 7.8294 118.2678 57.5686 27.3473 174.6623 62 V 4.5398 7.7003 116.1446 59.1774 35.0162 176.8362 63 S 4.4989 8.3280 116.5735 57.7199 65.4277 174.8290 64 D 4.3802 8.6800 122.8971 57.8517 40.6579 179.2963 65 V 3.7631 7.9623 117.7590 66.3239 31.5170 177.9623 66 V 3.6506 7.7481 117.3765 65.8743 31.3117 177.6543 67 F 3.8501 8.2035 120.2783 61.5187 39.2195 177.2853 68 F 4.3878 8.4457 117.2254 60.2240 38.7304 177.4004 69 E 3.9830 8.8417 119.8466 59.5979 29.4463 178.8149 70 M 4.0521 8.0305 118.8148 57.9825 31.8601 178.4865 71 L 3.8259 7.7574 120.6576 58.0926 42.2950 179.0530 72 I 3.7040 7.9775 119.8610 64.3140 36.8596 178.0677 73 K 3.8396 7.6697 118.8921 59.7129 32.1015 178.0195 74 E 3.9952 8.1723 119.2840 59.3723 29.3735 178.8489 75 I 3.7860 7.9132 119.1073 64.2127 37.1981 178.0032 76 L 4.2757 8.0120 121.1878 57.2167 41.6026 177.7725 77 K 4.1308 7.5629 124.8827 54.8157 31.5897 181.5250 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 2 E 8.44 4.33 0.00 2.01 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 2.13 1.88 0.00 3 S 7.96 4.28 0.00 4.01 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 4 F 9.11 4.09 0.00 3.09 3.06 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 5 L 8.18 3.84 0.00 1.87 1.72 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.96 3.98 0.00 1.83 1.81 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.81 4.35 0.00 4.07 4.13 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 8 K 7.60 3.81 0.00 1.75 1.73 0.00 1.39 0.00 0.00 1.20 0.00 0.00 2.36 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.70 1.00 7.81 9 V 7.91 3.66 2.26 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 1.19 0.00 0.00 1.09 0.00 0.00 10 S 8.21 4.21 0.00 4.20 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 0.00 11 F 8.27 3.93 0.00 3.30 3.23 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 0.00 12 V 7.96 3.55 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 0.23 0.00 0.00 0.91 0.00 0.00 13 I 7.94 3.79 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 0.91 0.00 0.00 14 K 8.06 3.90 0.00 1.78 1.67 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.52 7.81 15 K 7.84 3.70 0.00 1.49 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 I 7.77 3.70 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.43 0.93 0.00 0.00 17 R 8.06 3.86 0.00 1.94 2.09 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 18 L 7.97 3.94 0.00 1.79 1.65 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.98 0.00 2.06 2.01 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 2.33 2.33 0.00 20 K 8.34 4.27 0.00 1.69 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.75 7.81 21 G 7.82 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 0.00 0.00 0.00 22 M 8.00 4.71 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 23 T 9.05 4.38 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 1.24 0.00 0.00 24 Q 8.47 4.02 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 25 E 8.17 4.05 0.00 2.06 2.01 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 2.40 2.48 0.00 26 D 8.16 4.44 0.00 3.00 2.78 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 27 L 8.04 3.98 0.00 1.79 1.81 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.50 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.03 0.00 3.01 3.23 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 0.00 30 K 8.21 3.85 0.00 1.96 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.78 1.68 7.81 31 S 8.11 4.43 0.00 4.05 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 32 N 7.46 4.07 0.00 2.84 2.84 0.00 0.00 6.80 7.73 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 33 L 7.52 4.71 0.00 1.69 1.67 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.26 4.61 0.00 2.72 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 35 R 8.75 3.99 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 36 T 8.14 3.90 4.28 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 1.24 0.00 0.00 37 Y 7.90 4.13 0.00 3.06 3.17 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 38 I 7.78 3.64 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.69 0.90 0.00 0.00 39 S 8.38 4.24 0.00 3.97 4.04 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 40 G 8.42 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.60 3.54 1.84 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.19 0.81 0.00 0.00 42 E 8.01 4.15 0.00 1.91 1.97 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 2.29 2.44 0.00 43 R 7.10 4.43 0.00 1.80 1.93 0.00 3.28 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 44 N 8.14 4.30 0.00 2.93 2.91 0.00 0.00 6.50 7.72 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 45 S 8.34 4.78 0.00 3.91 3.89 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 0.00 0.00 0.00 46 R 7.58 4.62 0.00 1.48 1.79 0.00 3.38 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.00 47 N 8.53 4.67 0.00 2.72 2.77 0.00 0.00 6.74 7.78 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 48 L 8.26 4.78 0.00 1.56 1.50 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.46 4.41 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 1.24 0.00 0.00 50 I 8.16 3.76 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 0.95 0.00 0.00 51 K 8.03 3.96 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 52 S 8.27 4.17 0.00 4.11 4.09 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 53 L 7.92 3.85 0.00 1.83 1.82 0.54 0.80 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 54 E 8.44 3.81 0.00 2.16 2.05 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 2.27 2.32 0.00 55 L 7.88 3.96 0.00 1.92 1.67 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.87 3.76 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.86 0.00 0.00 57 M 8.15 3.93 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.72 0.00 58 K 8.01 4.02 0.00 1.93 1.93 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.14 0.00 1.75 1.75 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.83 3.82 0.00 2.11 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 2.25 2.32 0.00 62 V 7.70 4.54 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 0.80 0.00 0.00 1.00 0.00 0.00 63 S 8.33 4.50 0.00 4.11 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 64 D 8.68 4.38 0.00 2.88 3.08 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 0.00 65 V 7.96 3.76 2.16 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 1.05 0.00 0.00 1.01 0.00 0.00 66 V 7.75 3.65 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 0.96 0.00 0.00 0.96 0.00 0.00 67 F 8.20 3.85 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.45 4.39 0.00 3.24 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 69 E 8.84 3.98 0.00 2.25 1.97 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 2.33 2.40 0.00 70 M 8.03 4.05 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.49 0.00 71 L 7.76 3.83 0.00 1.63 1.91 0.89 1.16 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 72 I 7.98 3.70 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 0.93 0.00 0.00 73 K 7.67 3.84 0.00 1.96 1.91 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 E 8.17 4.00 0.00 2.27 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 2.27 2.06 0.00 75 I 7.91 3.79 2.04 0.00 0.00 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 1.61 0.69 1.06 0.00 0.00 76 L 8.01 4.28 0.00 1.79 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.56 4.13 0.00 1.73 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.27 7.81