NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3897 8.1627 120.6049 55.4317 34.4243 173.6738 2 Q 5.1045 8.6175 124.8250 51.7831 31.4153 172.7490 3 I 4.6290 8.8207 120.8053 59.0887 41.8916 173.6053 4 F 5.2046 8.5562 120.0072 56.0153 42.8958 175.3406 5 V 5.0180 8.7086 120.1803 61.5625 32.4276 173.4677 6 K 4.5226 9.1623 128.2850 55.9565 33.6772 175.7579 7 T 5.2143 7.9877 116.6447 59.2696 71.1660 174.5773 8 L 4.1492 8.5533 120.4834 58.3034 41.9054 178.7472 9 T 3.9503 8.1323 113.6699 66.2547 68.5464 173.7584 10 G 3.5108 7.7384 114.1534 45.3854 0.0000 173.9016 11 K 3.6961 7.9132 122.3602 57.5320 32.6847 176.3798 12 T 4.7431 8.1369 124.1537 61.5147 68.0761 173.8138 13 I 3.7586 7.5213 123.4164 61.8599 39.7860 174.7939 14 T 4.7630 8.5309 123.1228 60.5497 69.1862 173.2256 15 L 4.5778 8.7649 129.3070 53.3166 45.0531 175.6031 16 E 4.7115 8.5185 118.5745 54.9187 31.4030 175.7242 17 V 4.5721 8.4961 116.7066 59.4722 36.5901 174.8381 18 E 4.4276 8.6920 120.9934 54.8530 30.2735 175.9014 19 P 4.1152 0.0000 0.0000 64.1678 32.4692 177.0266 20 S 4.8349 7.5768 114.1817 57.5387 61.3983 173.9596 21 D 4.9851 8.2404 120.8419 52.6761 43.6350 176.7159 22 T 4.4701 8.3761 115.5542 61.2873 69.9887 175.7371 23 I 3.6795 8.4765 125.2667 64.1020 36.8634 178.4744 24 E 3.9557 8.1878 119.5373 59.6431 29.3254 178.9001 25 N 4.2842 7.9372 114.8772 56.2893 38.7138 177.4910 26 V 3.5257 7.9235 120.1155 66.1717 31.3960 178.1066 27 K 4.0008 8.1255 117.4074 59.6165 31.9487 179.3149 28 A 3.4641 7.8043 120.2107 54.5636 17.7133 179.4982 29 K 3.8971 8.5987 119.1100 59.4432 32.2745 179.1236 30 I 3.6202 7.7140 120.2900 64.2743 37.0003 177.9446 31 Q 4.1370 8.8995 121.6808 59.3427 28.6080 177.7670 32 D 4.3943 8.1183 117.3488 55.6989 41.3088 177.1897 33 K 4.3422 7.1993 117.0058 58.4917 33.4447 177.6478 34 E 4.4673 8.5979 115.7188 55.4462 30.0502 177.1967 35 G 3.8227 8.0073 106.9104 45.8496 0.0000 173.4729 36 I 4.0844 7.5646 120.4880 59.0981 37.2819 174.0668 37 P 4.2668 0.0000 0.0000 62.4384 31.8521 174.8896 38 P 4.4023 0.0000 0.0000 65.7392 31.4303 178.8759 39 D 4.7653 7.9182 115.0355 53.2071 38.1143 176.8322 40 Q 4.5772 8.9582 118.8113 57.4929 31.1740 173.1286 41 Q 4.7399 8.1736 115.1104 53.9500 32.5364 175.8271 42 R 4.4166 8.3054 118.7435 55.6993 34.4209 174.1673 43 L 5.0637 8.5347 124.6780 53.3216 44.2567 176.1059 44 I 5.2296 8.5883 122.9451 58.6687 40.8857 173.8628 45 F 5.0593 8.6466 129.6478 56.2612 41.8075 175.0406 46 A 3.4097 8.8395 129.4478 53.5234 15.2297 177.0882 47 G 4.0553 8.2829 103.4538 46.3345 0.0000 173.4640 48 K 4.6371 7.4924 115.9562 54.6658 35.6901 175.3164 49 Q 5.1546 8.4387 121.8519 55.3074 30.4200 175.4154 50 L 4.0549 8.1147 123.6974 52.1906 42.5185 175.8125 51 E 4.0497 8.9866 125.2777 56.6253 30.2638 177.1509 52 D 4.4614 8.9557 121.8619 57.6215 41.1097 179.6643 53 G 3.7789 8.1803 101.8345 46.3722 0.0000 172.3034 54 R 4.8516 8.4815 119.8195 54.2676 34.0545 173.5384 55 T 5.4275 8.3992 108.2464 60.3789 70.4582 173.5721 56 L 4.5506 7.9439 116.2261 56.8308 42.6830 178.4729 57 S 4.3734 7.6922 110.1830 59.8863 63.1241 174.6078 58 D 4.5249 8.0405 119.9991 55.5851 41.1019 176.3363 59 Y 4.5523 7.7375 113.6991 56.6427 39.5465 174.5996 60 N 4.1208 8.2498 118.4840 53.5456 35.5648 172.2448 61 I 4.0341 7.5759 118.5266 58.7292 37.5962 175.5284 62 Q 4.1353 8.4453 124.7204 55.3164 29.1165 176.8826 63 K 4.1048 8.2995 118.0745 57.8802 33.2780 176.5993 64 E 4.4529 8.5306 120.5852 57.8771 26.6923 174.1398 65 S 4.7806 7.8358 113.7243 57.7314 64.9943 173.9392 66 T 4.8642 8.4661 120.5138 62.9168 69.6733 174.1197 67 L 4.8814 8.6392 124.6550 53.2725 45.8430 174.9795 68 H 5.4144 8.5639 119.3268 54.4175 30.4078 173.6556 69 L 5.1233 8.8550 125.9029 53.3812 43.5293 175.2376 70 V 4.5197 8.7534 125.6893 61.0535 35.3103 173.7666 71 L 5.0363 8.3914 125.0084 53.2647 43.4527 176.7741 72 R 4.2880 8.1766 122.9921 54.7714 29.8888 176.8571 73 L 4.1508 8.2398 122.8739 54.8716 41.6939 177.4765 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 8.16 4.39 0.00 2.27 1.96 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 Q 8.62 5.10 0.00 2.24 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 3 I 8.82 4.63 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.81 0.00 0.00 4 F 8.56 5.20 0.00 2.98 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 5 V 8.71 5.02 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 0.76 0.00 0.00 0.92 0.00 0.00 6 K 9.16 4.52 0.00 1.87 1.71 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 7 T 7.99 5.21 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 1.28 0.00 0.00 8 L 8.55 4.15 0.00 1.66 1.76 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.13 3.95 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 1.21 0.00 0.00 10 G 7.74 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.70 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.45 7.81 12 T 8.14 4.74 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 1.25 0.00 0.00 13 I 7.52 3.76 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.58 0.98 0.00 0.00 14 T 8.53 4.76 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 15 L 8.76 4.58 0.00 1.49 1.48 0.88 0.60 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 16 E 8.52 4.71 0.00 1.74 1.81 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 2.12 2.19 0.00 17 V 8.50 4.57 2.04 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 0.63 0.00 0.00 0.86 0.00 0.00 18 E 8.69 4.43 0.00 1.84 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 0.00 2.25 2.41 0.00 19 P 0.00 4.12 0.00 2.06 2.12 0.00 3.54 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 2.11 2.15 0.00 20 S 7.58 4.83 0.00 3.73 3.83 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 0.00 0.00 0.00 21 D 8.24 4.99 0.00 2.96 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 4.47 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 23 I 8.48 3.68 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.23 0.91 0.00 0.00 24 E 8.19 3.96 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 25 N 7.94 4.28 0.00 3.04 2.85 0.00 0.00 6.72 7.56 0.00 0.00 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 V 7.92 3.53 2.17 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 0.98 0.00 0.00 0.99 0.00 0.00 27 K 8.13 4.00 0.00 2.09 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.57 7.81 28 A 7.80 3.46 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 29 K 8.60 3.90 0.00 1.94 2.01 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 30 I 7.71 3.62 2.13 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.90 0.00 0.00 31 Q 8.90 4.14 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 32 D 8.12 4.39 0.00 2.86 2.76 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 33 K 7.20 4.34 0.00 1.66 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 34 E 8.60 4.47 0.00 1.87 1.99 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 2.27 2.45 0.00 35 G 8.01 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 36 I 7.56 4.08 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.94 0.00 0.00 37 P 0.00 4.27 0.00 2.10 2.02 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 38 P 0.00 4.40 0.00 2.17 2.09 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 D 7.92 4.77 0.00 2.78 2.76 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 40 Q 8.96 4.58 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.83 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 41 Q 8.17 4.74 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 42 R 8.31 4.42 0.00 1.98 1.80 0.00 3.11 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 43 L 8.53 5.06 0.00 1.51 1.51 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.59 5.23 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 1.00 0.00 0.00 45 F 8.65 5.06 0.00 3.00 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 46 A 8.84 3.41 0.79 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 0.00 0.00 0.00 0.00 0.00 47 G 8.28 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 0.00 0.00 0.00 48 K 7.49 4.64 0.00 2.08 1.90 0.00 1.37 0.00 0.00 1.58 0.00 0.00 3.22 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.69 7.81 49 Q 8.44 5.15 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.11 4.05 0.00 1.21 0.59 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.99 4.05 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 52 D 8.96 4.46 0.00 2.77 2.83 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 0.00 0.00 0.00 53 G 8.18 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 54 R 8.48 4.85 0.00 2.20 1.99 0.00 2.84 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 55 T 8.40 5.43 4.40 0.00 0.00 0.00 0.00 0.00 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 56 L 7.94 4.55 0.00 2.07 1.75 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.69 4.37 0.00 4.04 4.01 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 58 D 8.04 4.52 0.00 2.82 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.74 4.55 0.00 3.00 3.14 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 0.00 60 N 8.25 4.12 0.00 3.03 2.95 0.00 0.00 6.78 7.19 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 61 I 7.58 4.03 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.62 0.57 0.00 0.00 62 Q 8.45 4.14 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 63 K 8.30 4.10 0.00 1.84 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.47 7.81 64 E 8.53 4.45 0.00 2.27 2.46 0.00 0.00 0.00 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 2.29 0.00 65 S 7.84 4.78 0.00 3.50 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.47 4.86 4.24 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 0.00 0.00 0.00 1.15 0.00 0.00 67 L 8.64 4.88 0.00 1.53 1.49 0.81 0.60 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 68 H 8.56 5.41 0.00 3.18 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.12 0.00 1.76 1.53 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.75 4.52 2.09 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.39 5.04 0.00 1.53 1.57 0.92 0.92 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 72 R 8.18 4.29 0.00 1.73 1.91 0.00 3.17 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.24 4.15 0.00 1.61 1.58 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00