NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.4732 8.2827 118.1029 53.2344 41.2743 176.2919 11 L 3.6733 7.8294 119.4406 57.3796 42.1065 177.1025 12 Q 3.9181 8.1328 119.1892 59.0322 29.4148 177.5892 13 K 3.6375 7.6587 120.0121 58.9490 32.1410 178.6076 14 A 3.6623 7.1819 121.2629 54.8241 17.9937 179.7340 15 I 3.8256 7.4179 118.2308 64.3403 37.1680 178.0714 16 D 4.2530 8.1295 119.0420 57.5042 41.0645 178.4525 17 L 3.9643 7.7765 119.0481 57.4820 41.5872 179.3461 18 A 3.7375 7.7929 121.0183 54.9233 18.3596 179.6709 19 S 4.0713 8.2922 111.8789 61.5723 62.4460 176.6011 20 K 3.9627 7.8549 120.6854 59.1902 31.7384 179.2868 21 A 3.4882 8.0094 120.9319 55.0012 18.1102 179.6179 22 A 4.7205 8.0539 120.5284 54.9109 18.3314 179.8116 23 Q 4.0588 7.9366 116.2104 58.6942 28.8091 178.4803 24 E 3.9339 8.3148 120.1045 59.4407 29.3136 178.8960 25 D 4.3419 7.7491 117.9867 56.7242 41.3841 177.9133 26 K 4.1399 7.7615 118.6315 59.1663 32.2138 178.4834 27 A 4.2974 8.4122 121.2080 53.2206 18.5147 179.1675 28 G 5.0655 7.6894 117.0713 46.7335 0.0000 173.2565 29 N 4.6466 7.7469 119.1564 53.4847 39.4627 174.8644 30 Y 4.4249 8.7285 123.0349 59.4593 39.3916 177.8793 31 E 3.9532 8.2029 119.0402 59.6409 29.6118 178.9653 32 E 3.8937 8.1737 118.4504 59.0776 29.6763 178.5006 33 A 3.5876 7.8226 120.6090 54.4866 18.5199 179.1190 34 L 4.0889 8.3461 119.3110 58.7212 42.1315 179.3782 35 Q 3.9903 7.7624 117.8572 58.8376 28.5559 178.9309 36 L 3.9167 7.4527 120.0412 57.6771 41.4851 178.9323 37 Y 4.2916 7.9630 117.1484 61.3426 37.8253 178.8033 38 Q 4.0970 8.1015 118.4403 59.1617 28.7921 178.4512 39 H 4.0587 8.0792 117.1497 58.8419 28.7887 177.6157 40 A 3.9633 8.1096 122.5257 55.2965 18.1833 179.9068 41 V 3.9429 7.8317 116.7515 66.0576 31.4478 178.4012 42 Q 3.9278 8.0685 118.1189 59.1251 28.4642 178.2715 43 Y 4.1302 7.6710 117.7078 60.7357 38.0271 178.1194 44 F 4.4750 8.2646 118.7724 60.9080 39.0612 177.8306 45 L 4.1679 8.3399 118.4600 57.9420 41.3674 179.0233 46 H 4.1336 8.0755 118.3801 59.0866 29.7085 177.6151 47 V 3.6382 7.8003 119.7164 66.0802 31.2828 178.2089 48 V 3.6680 7.5671 116.2385 65.8092 31.3656 177.6745 49 K 4.1634 8.3215 118.9319 60.4650 32.2410 177.8103 50 Y 4.3299 8.4107 116.8020 58.0388 38.0955 176.2841 51 E 4.4136 8.6459 129.3219 55.6579 30.7903 175.1973 52 A 4.3870 8.2291 129.1186 51.9996 19.8266 177.1518 53 Q 4.1323 8.7388 116.6006 58.6394 29.2531 176.3197 54 G 3.9940 7.3405 103.7953 43.9589 0.0000 172.9445 55 D 4.2753 8.4156 117.4839 57.4887 40.9852 178.2570 56 K 3.9137 8.0575 119.2552 59.2702 32.1932 178.5435 57 A 3.9933 7.9395 120.7673 55.0455 18.3917 179.4933 58 K 3.9293 8.1511 116.9726 59.8543 32.0128 179.5811 59 Q 3.9930 7.8864 118.2963 58.9431 28.4039 178.9601 60 S 4.0508 7.7758 114.2840 61.3913 62.3450 176.3011 61 I 3.4946 7.6061 122.1527 63.9973 36.6528 178.5628 62 R 3.8273 8.1168 118.9496 59.2946 30.0431 178.9891 63 A 3.9443 7.6991 120.5583 54.8634 18.3346 179.9362 64 K 3.5561 7.5686 117.1754 59.6501 32.0267 179.4059 65 C 4.3029 8.6200 117.7353 62.9594 27.9943 175.9415 66 T 3.9862 7.6569 114.5880 64.3323 66.8177 176.3667 67 E 3.7237 7.6530 121.1146 59.5049 29.6862 178.5070 68 Y 4.0704 7.4405 116.6933 60.9262 37.8468 178.2623 69 L 4.0845 7.8161 120.0681 57.8564 41.6168 179.1087 70 D 4.2822 8.1489 117.9815 57.1269 41.1452 178.3622 71 R 3.7289 7.6675 119.0000 59.4771 30.0922 178.4301 72 A 4.0849 8.2505 120.9425 54.9926 18.1734 179.4194 73 E 3.9103 8.5250 117.6559 59.7093 29.4536 179.8129 74 K 4.1014 7.9287 118.1723 59.1415 32.1214 179.4230 75 L 4.3633 8.1675 119.6549 57.9318 41.6429 179.8532 76 K 3.8791 8.2764 118.6232 59.4929 32.5162 178.5681 77 E 3.8926 7.8121 121.0392 59.5982 29.3588 178.5112 78 Y 4.2411 7.5634 116.3604 60.0025 38.3104 177.3481 79 L 3.8474 6.5554 119.9076 57.3771 41.6832 179.2667 80 K 4.1443 8.1261 117.9242 58.9375 32.1905 177.3804 81 N 4.6696 7.8155 120.0648 53.5220 38.6256 174.7243 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 10 N 8.28 4.47 0.00 2.72 2.90 0.00 0.00 6.59 5.77 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 11 L 7.83 3.67 0.00 1.86 1.65 1.11 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.13 3.92 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 13 K 7.66 3.64 0.00 1.42 1.14 0.00 1.37 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.54 7.81 14 A 7.18 3.66 -0.10 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 0.00 0.00 15 I 7.42 3.83 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.93 1.00 0.00 0.00 16 D 8.13 4.25 0.00 2.91 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 17 L 7.78 3.96 0.00 1.81 1.66 1.02 0.73 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 18 A 7.79 3.74 1.24 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 0.00 0.00 0.00 19 S 8.29 4.07 0.00 4.06 3.86 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 20 K 7.85 3.96 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 21 A 8.01 3.49 0.68 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 0.00 0.00 22 A 8.05 4.72 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.94 4.06 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 24 E 8.31 3.93 0.00 1.96 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 2.38 2.34 0.00 25 D 7.75 4.34 0.00 2.70 2.71 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 26 K 7.76 4.14 0.00 2.04 1.87 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.50 7.81 27 A 8.41 4.30 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 28 G 7.69 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.75 4.65 0.00 2.97 2.81 0.00 0.00 7.27 7.49 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 30 Y 8.73 4.42 0.00 3.08 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 31 E 8.20 3.95 0.00 2.05 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 2.43 2.42 0.00 32 E 8.17 3.89 0.00 2.06 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 2.33 2.37 0.00 33 A 7.82 3.59 1.24 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 0.00 0.00 0.00 34 L 8.35 4.09 0.00 1.91 1.88 1.04 0.66 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 35 Q 7.76 3.99 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 36 L 7.45 3.92 0.00 1.43 1.64 0.75 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.96 4.29 0.00 3.18 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 38 Q 8.10 4.10 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 39 H 8.08 4.06 0.00 3.29 3.48 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.11 3.96 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 41 V 7.83 3.94 2.30 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 1.14 0.00 0.00 1.22 0.00 0.00 42 Q 8.07 3.93 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 43 Y 7.67 4.13 0.00 2.75 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.26 4.48 0.00 3.41 3.07 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 0.00 0.00 0.00 45 L 8.34 4.17 0.00 1.81 1.80 1.00 0.95 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 46 H 8.08 4.13 0.00 3.33 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.80 3.64 2.32 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 1.14 0.00 0.00 1.07 0.00 0.00 48 V 7.57 3.67 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 0.98 0.00 0.00 1.09 0.00 0.00 49 K 8.32 4.16 0.00 2.03 2.02 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.51 7.81 50 Y 8.41 4.33 0.00 3.01 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 51 E 8.65 4.41 0.00 2.09 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 2.36 2.32 0.00 52 A 8.23 4.39 1.32 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 0.00 0.00 53 Q 8.74 4.13 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 54 G 7.34 3.99 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 0.00 0.00 0.00 55 D 8.42 4.28 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.91 0.00 1.83 1.79 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81 57 A 7.94 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 3.93 0.00 1.98 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.67 7.81 59 Q 7.89 3.99 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 60 S 7.78 4.05 0.00 3.96 3.86 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 61 I 7.61 3.49 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.83 0.00 0.00 62 R 8.12 3.83 0.00 2.00 1.95 0.00 3.11 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 1.64 1.75 0.00 63 A 7.70 3.94 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 64 K 7.57 3.56 0.00 1.51 1.64 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.33 7.81 65 C 8.62 4.30 0.00 3.02 3.03 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 66 T 7.66 3.99 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 1.20 0.00 0.00 67 E 7.65 3.72 0.00 1.99 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 1.86 2.10 0.00 68 Y 7.44 4.07 0.00 3.14 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 69 L 7.82 4.08 0.00 1.87 1.73 0.98 1.16 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 70 D 8.15 4.28 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.67 3.73 0.00 1.77 1.49 0.00 2.99 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 72 A 8.25 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.52 3.91 0.00 2.21 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 2.33 2.58 0.00 74 K 7.93 4.10 0.00 1.82 1.96 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.50 7.81 75 L 8.17 4.36 0.00 2.09 1.79 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.28 3.88 0.00 1.92 2.04 0.00 1.32 0.00 0.00 1.58 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.42 7.81 77 E 7.81 3.89 0.00 2.28 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 2.35 2.35 0.00 78 Y 7.56 4.24 0.00 3.09 3.12 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 0.00 0.00 0.00 0.00 79 L 6.56 3.85 0.00 1.47 1.57 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.13 4.14 0.00 1.81 1.84 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.49 7.81 81 N 7.82 4.67 0.00 3.00 2.78 0.00 0.00 6.93 7.02 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