NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 68 I 3.9828 8.0093 121.4478 61.1138 38.4250 174.4924 69 R 4.3148 8.2608 122.2467 53.7309 30.9598 174.6516 70 R 3.9450 8.4458 120.8780 55.6890 31.8193 175.5556 71 P 4.5663 0.0000 0.0000 62.2482 32.5021 175.8654 72 M 4.1905 8.3117 120.1264 55.1315 32.6944 176.9787 73 N 4.7410 8.5301 121.0284 51.5077 40.5358 175.8121 74 A 4.1225 8.6581 121.5550 55.7423 18.1254 179.4488 75 F 2.8400 8.7390 119.0075 61.2847 39.4002 176.9080 76 M 3.6384 8.4088 117.7427 58.6770 30.8419 178.9328 77 V 3.5103 7.9117 118.0232 65.6090 31.7004 177.9937 78 W 3.6193 7.8532 127.4791 60.1192 30.5970 177.6561 79 A 2.9790 8.0453 121.1623 55.0647 17.4076 179.3876 80 K 3.7278 7.7836 116.9897 60.0784 32.4786 177.7424 81 D 4.3467 7.4731 119.3417 56.8989 40.8840 178.6802 82 E 3.4713 7.5088 118.7062 59.5224 29.3931 179.9646 83 R 3.5887 8.0712 118.9607 59.1476 29.8976 178.4427 84 K 3.8874 7.8744 118.7376 59.3878 32.3379 178.5402 85 R 3.9227 7.5571 118.4542 59.4554 30.1401 178.1136 86 L 3.8891 8.6929 119.6632 57.9796 41.3712 179.5753 87 A 3.9644 8.4913 120.4901 54.5582 17.9778 179.6858 88 Q 3.9797 7.8446 116.3960 59.0675 29.1869 178.2576 89 Q 4.2478 7.9801 117.0152 57.5185 30.1080 176.2941 90 N 5.3799 8.1519 116.4188 49.4263 39.0143 173.1920 91 P 4.4973 0.0000 0.0000 64.3503 32.4356 178.1893 92 D 4.4660 8.2086 118.0833 56.1861 39.5494 176.6237 93 L 4.1024 7.2363 119.8875 54.0071 42.2341 177.3148 94 H 4.4604 8.5565 121.8246 55.6264 32.0637 176.0054 95 N 4.1716 7.7869 120.7431 56.4782 38.7955 176.2521 96 A 4.0106 8.2096 121.9011 55.4925 18.2312 179.1374 97 E 3.8640 8.2134 116.7916 59.4045 29.7905 178.4122 98 L 3.9364 7.8155 119.1981 58.3771 41.7541 179.9362 99 S 4.2195 8.5379 114.9285 61.5644 62.7633 176.9216 100 K 4.0484 8.3234 121.2731 59.7670 31.7605 179.3868 101 M 4.1788 8.4396 119.1860 58.3752 31.9303 178.7513 102 L 4.4599 8.4886 119.6557 57.7880 41.6709 179.8497 103 G 3.7373 8.4412 105.6373 47.8775 0.0000 175.8016 104 K 4.0455 8.3199 121.8356 58.9623 31.9692 179.0362 105 S 4.5232 8.2894 111.5423 59.1629 63.7277 175.9067 106 W 3.7504 8.4329 133.1730 60.5109 30.3421 177.6124 107 K 3.7554 7.7820 117.7401 59.4499 31.6068 178.1343 108 A 4.1336 7.5609 120.0507 53.1620 18.6421 177.9177 109 L 4.0396 6.8895 118.2563 54.7659 42.2699 178.0815 110 T 3.9743 8.4421 120.4818 63.0194 70.4272 175.6283 111 L 3.8018 8.3148 123.0391 58.0370 41.4636 179.6855 112 A 3.9787 7.8630 118.8891 55.2272 18.3648 179.0711 113 E 4.0625 7.8343 115.3491 59.6606 29.8911 179.4281 114 K 4.1599 8.4479 118.6789 58.8339 31.8261 179.1801 115 R 3.8937 7.8427 119.6292 59.3615 29.9732 176.5884 116 P 4.3172 0.0000 0.0000 64.7323 31.1160 178.5808 117 F 4.3056 8.3197 117.5032 60.2283 39.1977 177.7467 118 V 3.6792 8.1194 117.4119 66.3962 31.1907 177.7822 119 E 3.9978 8.5394 118.3340 59.2558 29.2942 178.9683 120 E 3.8964 8.2230 119.1897 59.3426 29.8025 178.6240 121 A 4.1089 9.0459 121.7206 55.1694 18.2034 179.5739 122 E 3.9561 8.1140 117.0633 59.4644 29.7240 179.1007 123 R 3.9447 7.8869 118.1742 59.4875 30.2088 178.8266 124 L 3.9718 7.9245 118.2715 58.0146 41.7011 179.7145 125 R 3.9335 7.9516 118.4562 59.2361 30.0690 178.6751 126 V 3.5832 8.5456 118.5548 66.0511 31.5498 177.6882 127 Q 3.9232 8.5248 119.6310 59.4247 28.7996 177.4142 128 H 3.9526 8.7153 119.5494 59.8856 29.5744 176.5357 129 M 4.0904 7.8684 118.5714 58.7901 31.8987 178.6824 130 Q 4.1239 7.6843 116.2463 59.2623 29.0662 178.2093 131 D 4.6382 7.9411 118.4084 56.2336 41.1971 176.2903 132 H 4.7742 8.1000 115.7322 53.3889 30.3985 171.3908 133 P 4.4285 0.0000 0.0000 65.6341 31.4757 178.2700 134 N 4.7925 8.1076 111.9851 53.4007 38.4317 174.2455 135 Y 4.3545 7.7239 119.8478 57.5235 38.7392 174.9486 136 K 4.1564 8.1566 127.0834 54.2044 33.9253 175.5802 137 Y 3.8970 8.0435 124.6827 57.8422 38.5650 175.5616 138 R 4.1533 8.2907 127.3510 53.7785 30.9705 174.0612 139 P 4.5344 0.0000 0.0000 61.6530 33.4025 174.5234 140 R 4.6233 7.7667 116.5023 56.8135 34.0137 175.4700 141 R 4.1574 8.2874 116.6944 57.5454 31.0132 174.8942 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 68 I 8.01 3.98 1.70 0.00 0.00 1.00 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 1.08 0.25 0.00 0.00 69 R 8.26 4.31 0.00 1.98 1.92 0.00 3.06 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 70 R 8.45 3.94 0.00 1.75 1.83 0.00 2.60 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 71 P 0.00 4.57 0.00 2.11 1.98 0.00 3.41 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 72 M 8.31 4.19 0.00 2.02 2.04 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 2.58 2.50 0.00 73 N 8.53 4.74 0.00 3.03 2.98 0.00 0.00 6.10 7.05 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 74 A 8.66 4.12 1.65 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 75 F 8.74 2.84 0.00 2.33 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 76 M 8.41 3.64 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.83 0.00 77 V 7.91 3.51 2.34 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 1.32 0.00 0.00 1.03 0.00 0.00 78 W 7.85 3.62 0.00 2.85 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 79 A 8.05 2.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.78 3.73 0.00 1.63 1.92 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 81 D 7.47 4.35 0.00 2.76 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 82 E 7.51 3.47 0.00 1.16 1.13 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 1.72 1.47 0.00 83 R 8.07 3.59 0.00 1.62 1.88 0.00 2.98 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 84 K 7.87 3.89 0.00 1.66 1.87 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.39 7.81 85 R 7.56 3.92 0.00 1.75 1.89 0.00 3.38 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 86 L 8.69 3.89 0.00 1.71 1.67 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.49 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.84 3.98 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 89 Q 7.98 4.25 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.31 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 90 N 8.15 5.38 0.00 2.67 2.91 0.00 0.00 7.05 8.78 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 91 P 0.00 4.50 0.00 2.03 2.11 0.00 3.72 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 92 D 8.21 4.47 0.00 2.82 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 93 L 7.24 4.10 0.00 1.65 1.66 0.98 1.04 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 94 H 8.56 4.46 0.00 3.25 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.79 4.17 0.00 2.68 2.63 0.00 0.00 6.71 8.03 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 96 A 8.21 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.21 3.86 0.00 2.13 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 0.00 2.40 2.48 0.00 98 L 7.82 3.94 0.00 1.93 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.54 4.22 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 0.00 100 K 8.32 4.05 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 101 M 8.44 4.18 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 102 L 8.49 4.46 0.00 1.95 2.10 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.32 4.05 0.00 1.99 1.94 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.67 7.81 105 S 8.29 4.52 0.00 4.20 4.14 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 0.00 106 W 8.43 3.75 0.00 3.48 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.78 3.76 0.00 1.77 2.02 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 108 A 7.56 4.13 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 0.00 109 L 6.89 4.04 0.00 1.20 1.14 0.41 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.44 3.97 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 0.00 111 L 8.31 3.80 0.00 1.60 1.66 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.86 3.98 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 0.00 113 E 7.83 4.06 0.00 2.09 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 2.30 2.34 0.00 114 K 8.45 4.16 0.00 1.66 1.65 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 1.10 7.81 115 R 7.84 3.89 0.00 1.87 2.15 0.00 3.18 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 1.62 1.72 0.00 116 P 0.00 4.32 0.00 1.55 1.84 0.00 3.77 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 1.93 2.06 0.00 117 F 8.32 4.31 0.00 3.61 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.12 3.68 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 1.14 0.00 0.00 1.06 0.00 0.00 119 E 8.54 4.00 0.00 2.18 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 2.34 2.51 0.00 120 E 8.22 3.90 0.00 2.07 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 0.00 2.40 2.37 0.00 121 A 9.05 4.11 1.45 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 0.00 0.00 122 E 8.11 3.96 0.00 2.33 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 2.36 2.52 0.00 123 R 7.89 3.94 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 124 L 7.92 3.97 0.00 2.06 1.75 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.95 3.93 0.00 2.04 2.04 0.00 3.30 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 126 V 8.55 3.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 127 Q 8.52 3.92 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 128 H 8.72 3.95 0.00 3.33 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 M 7.87 4.09 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.70 0.00 130 Q 7.68 4.12 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 131 D 7.94 4.64 0.00 2.30 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 0.00 0.00 0.00 0.00 132 H 8.10 4.77 0.00 3.03 3.19 0.00 5.66 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 0.00 133 P 0.00 4.43 0.00 2.22 2.12 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 134 N 8.11 4.79 0.00 2.75 2.89 0.00 0.00 6.84 7.46 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 0.00 135 Y 7.72 4.35 0.00 2.96 3.13 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 0.00 136 K 8.16 4.16 0.00 1.66 1.56 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.28 7.81 137 Y 8.04 3.90 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.29 4.15 0.00 1.76 1.77 0.00 3.25 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 139 P 0.00 4.53 0.00 1.87 1.86 0.00 3.31 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.75 0.00 140 R 7.77 4.62 0.00 1.72 1.80 0.00 3.39 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 141 R 8.29 4.16 0.00 1.72 1.74 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00