NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.9837 8.3549 109.7394 44.8216 0.0000 173.8563 8 P 4.1313 0.0000 0.0000 63.6668 31.6954 174.8458 9 H 3.7792 9.0989 118.2598 56.1105 30.5193 173.6231 10 M 4.0262 8.6121 125.8879 55.9206 32.5544 176.5570 11 R 4.0626 8.7939 123.3431 57.0100 31.4611 174.9815 12 T 5.2358 8.5620 122.5692 61.8065 71.1289 173.4498 13 I 4.8736 8.7805 118.7180 59.0911 41.7495 175.0419 14 S 4.9071 8.4774 117.0254 56.9869 64.5127 174.4453 15 Y 4.0562 8.8267 122.3742 61.2747 38.4149 178.6921 16 S 3.9516 8.2549 115.3395 61.5988 62.9130 176.3636 17 E 3.8317 7.8679 120.8331 59.2067 29.2419 178.6215 18 A 3.8970 7.5270 119.4619 55.2248 18.4846 179.2996 19 R 3.7154 7.8779 116.4532 59.4109 30.1203 178.2551 20 Q 4.1706 7.8493 118.8958 58.0572 30.6920 176.3517 21 N 5.0032 7.9409 116.7725 50.2139 38.2687 174.3787 22 L 3.9869 8.0035 127.2652 58.8865 42.6356 177.9974 23 S 4.0715 8.0364 113.6081 61.4327 62.9200 176.2441 24 A 3.9766 7.9076 123.9642 54.9908 18.1935 179.5555 25 T 3.7881 7.7494 113.7530 67.1307 68.5980 176.7519 26 M 4.0435 8.2181 120.6933 58.4257 31.8689 178.3271 27 M 3.9639 8.1477 118.3391 58.6763 32.4271 178.2647 28 K 3.8735 8.1843 118.2013 59.5625 31.9090 178.8762 29 A 4.2331 7.8145 122.0984 54.6936 18.1192 179.9457 30 V 3.5791 7.7756 116.4298 66.1308 31.3844 177.3348 31 E 4.0204 8.3624 118.6881 59.3095 29.4906 177.5277 32 D 4.6606 8.0421 116.8756 52.3558 40.5083 175.5045 33 H 4.0227 7.8825 118.2498 57.1599 28.5762 174.0597 34 A 5.0493 7.9542 117.8038 48.4429 22.9595 175.4171 35 P 4.5920 0.0000 0.0000 62.9443 32.7989 175.5258 36 I 4.6719 8.8708 122.1776 59.5015 40.1453 174.3361 37 L 4.7662 8.7968 129.4979 54.2714 43.7994 175.1598 38 I 4.9617 8.8693 128.3071 59.9300 39.0402 175.0269 39 T 4.6988 8.7732 118.3878 60.8625 70.8600 174.1270 40 R 4.8616 8.5144 121.8308 54.1179 33.3770 176.9473 41 Q 3.9569 8.9167 119.9186 59.2294 28.5294 177.3175 42 N 4.4809 7.9721 113.3623 53.1708 37.7877 175.2450 43 G 4.0131 8.2687 108.2911 45.5254 0.0000 174.0164 44 E 4.4144 8.3395 118.7450 56.5911 30.8910 175.6434 45 A 5.0685 8.0596 120.5364 51.5361 22.1813 175.2241 46 C 4.9727 8.7822 116.1577 57.9159 32.8962 173.1511 47 V 4.7937 8.3450 119.9024 61.1295 33.4671 174.2448 48 L 4.7677 9.0845 130.1611 53.6343 44.0320 174.7154 49 M 5.2044 8.4062 124.6220 53.6005 36.0221 174.5882 50 S 4.3727 8.5577 117.3148 57.6587 64.3588 174.8600 51 L 3.9892 8.6588 123.7721 58.4058 41.7567 178.9852 52 E 3.9548 8.2075 118.6544 59.4556 29.1388 178.3332 53 E 3.9570 8.2418 119.2341 59.2281 29.6205 177.9386 54 Y 4.0514 8.1748 119.5868 60.9669 38.9017 177.9701 55 N 4.3425 8.5118 117.3475 56.4195 38.6107 177.3570 56 S 4.1048 8.0342 114.2373 61.1370 62.4866 175.9615 57 L 3.8376 7.9601 123.0913 58.1828 41.8337 178.6332 58 E 3.6838 8.2089 119.6328 59.1096 29.6241 178.5292 59 E 4.1177 8.7771 119.0242 59.7843 29.5609 179.5036 60 T 3.8678 8.1237 115.5476 66.6640 68.3234 176.6950 61 A 3.9804 7.8020 121.3105 55.0441 18.4254 178.6475 62 Y 4.2556 7.8880 113.4777 58.1056 38.1503 175.5656 63 L 3.6841 7.8049 120.4596 55.8461 41.2037 174.0642 64 L 4.2000 7.8252 121.6503 54.6033 41.4531 177.0596 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 7 G 8.35 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.13 0.00 2.14 2.12 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 9 H 9.10 3.78 0.00 3.13 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.61 4.03 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 11 R 8.79 4.06 0.00 1.91 1.82 0.00 3.13 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 12 T 8.56 5.24 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 1.28 0.00 0.00 13 I 8.78 4.87 1.87 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 1.42 0.80 0.91 0.00 0.00 14 S 8.48 4.91 0.00 4.08 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 15 Y 8.83 4.06 0.00 3.22 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 16 S 8.25 3.95 0.00 3.92 3.91 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 17 E 7.87 3.83 0.00 2.00 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 2.28 2.45 0.00 18 A 7.53 3.90 1.26 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 0.00 0.00 0.00 19 R 7.88 3.72 0.00 0.72 1.63 0.00 3.22 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 20 Q 7.85 4.17 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 21 N 7.94 5.00 0.00 2.93 2.85 0.00 0.00 6.54 6.69 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 22 L 8.00 3.99 0.00 1.83 1.67 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.04 4.07 0.00 4.07 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 24 A 7.91 3.98 1.40 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 0.00 0.00 25 T 7.75 3.79 4.38 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 1.20 0.00 0.00 26 M 8.22 4.04 0.00 2.04 2.23 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 2.78 2.54 0.00 27 M 8.15 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 28 K 8.18 3.87 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.74 7.81 29 A 7.81 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 31 E 8.36 4.02 0.00 2.19 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 2.39 0.00 32 D 8.04 4.66 0.00 2.90 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 H 7.88 4.02 0.00 3.17 3.36 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.95 5.05 1.25 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 35 P 0.00 4.59 0.00 2.09 2.07 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 36 I 8.87 4.67 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 1.12 0.63 0.98 0.00 0.00 37 L 8.80 4.77 0.00 1.77 1.55 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.87 4.96 1.92 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 1.30 1.10 0.99 0.00 0.00 39 T 8.77 4.70 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 40 R 8.51 4.86 0.00 1.97 1.81 0.00 3.08 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 41 Q 8.92 3.96 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 42 N 7.97 4.48 0.00 2.82 2.93 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.27 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 0.00 0.00 0.00 44 E 8.34 4.41 0.00 2.01 1.88 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 2.31 2.37 0.00 45 A 8.06 5.07 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 46 C 8.78 4.97 0.00 2.91 2.80 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 47 V 8.34 4.79 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 0.79 0.00 0.00 0.94 0.00 0.00 48 L 9.08 4.77 0.00 1.74 1.49 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.41 5.20 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 50 S 8.56 4.37 0.00 4.07 3.98 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 0.00 0.00 0.00 51 L 8.66 3.99 0.00 1.79 1.75 1.02 0.84 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 52 E 8.21 3.95 0.00 2.13 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 2.47 2.42 0.00 53 E 8.24 3.96 0.00 1.91 1.91 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 2.26 2.12 0.00 54 Y 8.17 4.05 0.00 3.13 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 55 N 8.51 4.34 0.00 2.83 2.91 0.00 0.00 6.74 7.25 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 56 S 8.03 4.10 0.00 3.96 4.02 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 57 L 7.96 3.84 0.00 1.97 1.50 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.21 3.68 0.00 1.77 1.92 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 2.00 1.98 0.00 59 E 8.78 4.12 0.00 2.17 2.02 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 2.38 2.61 0.00 60 T 8.12 3.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 61 A 7.80 3.98 1.16 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 0.00 0.00 62 Y 7.89 4.26 0.00 3.22 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 63 L 7.80 3.68 0.00 1.80 1.79 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.83 4.20 0.00 1.74 1.57 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00