NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 G 3.9161 8.3544 109.7398 45.4901 0.0000 172.8382 18 S 4.6344 8.2960 116.0563 54.9750 64.4522 171.3278 19 H 4.9070 8.7223 120.2188 54.2993 31.9068 172.8164 20 M 4.2214 8.3805 120.0529 55.0901 32.4088 176.7743 21 S 4.3594 8.4776 118.3101 58.9789 63.4643 175.4110 22 T 4.3559 8.9617 116.6445 60.7890 70.9935 175.7685 23 I 3.9209 8.3601 122.0909 64.8599 37.1399 178.1639 24 E 3.9946 8.2204 119.2552 59.4660 29.5373 178.5239 25 E 4.0539 8.2169 118.3366 59.4738 29.4798 179.6222 26 R 3.9648 8.4192 118.3838 59.1231 30.1354 179.2221 27 V 3.8199 8.2083 118.1020 66.2200 31.5174 178.3479 28 K 4.1334 8.3322 118.1642 59.0271 31.8696 179.3429 29 K 3.9456 8.2908 120.2239 59.4553 32.0660 178.9395 30 I 3.7216 7.6522 119.5785 64.4976 37.0823 178.3649 31 I 3.8720 7.9265 120.7352 64.4235 37.0598 178.6988 32 G 3.6597 8.3770 106.5948 48.0287 0.0000 175.6370 33 E 4.0433 8.0912 120.0766 58.9533 29.5033 178.9852 34 Q 4.1321 8.2412 119.0591 58.4129 28.8689 177.1993 35 L 4.6575 8.1101 117.4836 53.4604 41.9664 177.1654 36 G 3.8251 7.8217 106.1854 46.5833 0.0000 174.2323 37 V 4.4341 6.8245 108.4151 58.5644 34.2382 176.1325 38 K 4.1371 8.5663 121.5327 56.3586 32.2524 178.4724 39 Q 4.1233 8.7537 123.7803 58.0289 29.0582 176.3272 40 E 4.5443 8.0015 114.7536 56.8809 30.9107 176.0439 41 E 4.2082 8.1130 115.9775 56.1818 30.0784 176.7479 42 V 3.9066 7.5012 120.4491 62.1386 31.0671 175.1623 43 T 4.3960 7.9761 117.6829 60.4094 70.2502 175.9539 44 N 4.3192 8.6610 120.5286 56.0310 38.7316 176.3245 45 N 4.5788 7.9182 112.5232 52.5556 38.3848 175.0360 46 A 4.1180 7.5534 124.3133 52.1957 19.1422 176.8960 47 S 4.7087 9.1905 118.7064 57.2990 64.5309 175.3156 48 F 4.1497 8.7197 123.6922 60.9150 38.8238 178.0096 49 V 3.7967 8.0062 119.5416 66.1415 31.7876 177.8083 50 E 4.0143 8.1721 117.3062 59.7100 29.7605 178.2118 51 D 4.4718 7.8386 117.2349 57.1400 40.9891 177.9363 52 L 4.2564 7.8277 116.5456 54.6654 42.1742 176.8997 53 G 3.7431 8.1972 105.7212 45.7026 0.0000 173.3958 54 A 4.3688 8.1463 123.4551 51.3087 19.3744 179.1334 55 D 4.7982 9.0027 124.8049 52.3479 42.7838 177.0292 56 S 4.3547 8.4874 113.1418 60.0957 63.3267 174.6671 57 L 4.3388 7.8907 123.8221 57.1340 42.6506 177.2160 58 D 4.4141 9.1280 119.8699 57.9967 40.9505 179.4396 59 T 3.7081 7.7565 109.4147 64.6040 68.7338 176.8236 60 V 3.5136 7.6147 120.6075 65.8931 31.7207 177.7958 61 E 4.0118 8.5115 118.6488 59.1358 29.1988 179.3940 62 L 3.9367 8.1302 119.6405 57.6310 41.6567 179.6266 63 V 3.4872 7.5453 117.9097 66.1677 31.4653 177.7494 64 M 3.9852 7.9833 118.2090 58.6371 31.7723 178.7436 65 A 4.0162 8.0678 120.5896 55.0725 18.5168 179.7486 66 L 4.1686 8.1760 117.6517 57.9637 41.7413 179.4228 67 E 4.0677 8.7303 119.0552 59.3239 29.2666 179.0891 68 E 3.8792 8.3579 119.2325 59.4158 29.6043 178.4744 69 E 3.8027 8.2572 118.1229 58.3799 29.6584 177.7939 70 F 4.6729 7.9236 114.4630 55.6705 40.5737 175.0459 71 D 4.4223 7.8291 117.3315 55.3946 39.7272 172.1178 72 T 4.7808 8.1157 107.1411 60.0941 72.5738 173.4733 73 E 4.6707 8.7151 120.8919 54.6249 31.4367 175.4569 74 I 4.3613 8.7527 125.4054 58.5513 39.2366 174.2905 75 P 4.4298 0.0000 0.0000 62.5372 33.2387 176.9807 76 D 4.3583 8.7066 120.5881 57.7308 40.5209 179.0035 77 E 3.9679 8.0442 118.4842 59.1092 29.8995 178.1324 78 E 4.1585 8.0845 118.0205 58.9294 29.6540 178.6673 79 A 3.8538 7.8880 120.9143 55.0633 18.1419 179.5076 80 E 3.9027 7.9217 116.4536 59.4698 29.5364 179.4114 81 K 4.3250 7.5781 117.6064 57.8729 32.1583 177.3410 82 I 4.1043 7.0733 120.5982 61.2772 37.1132 175.4973 83 T 4.6898 8.6885 121.8128 63.0745 71.2518 174.0394 84 T 4.7543 7.5079 110.5660 58.9609 73.0077 174.8294 85 V 3.4587 7.5309 121.2732 66.2567 31.4669 178.1105 86 Q 3.9306 8.2947 119.1553 59.2098 28.9156 178.1433 87 A 4.1184 7.8979 121.4387 55.0408 18.3602 179.5398 88 A 4.0144 8.0441 118.8666 55.4181 18.4482 179.9098 89 I 3.6166 7.9478 118.3747 64.6292 36.9409 178.4266 90 D 4.3223 8.4587 118.9872 57.4572 40.7171 177.9385 91 Y 4.0496 7.9029 118.9380 60.7113 38.9037 177.7759 92 I 3.7458 7.5702 119.5416 64.2970 37.2478 176.4144 93 N 4.5758 8.0788 120.6318 53.5322 38.5044 174.7834 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 17 G 8.35 3.92 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 0.00 0.00 0.00 18 S 8.30 4.63 0.00 3.90 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 19 H 8.72 4.91 0.00 3.27 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.38 4.22 0.00 2.04 2.07 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 2.62 2.52 0.00 21 S 8.48 4.36 0.00 3.86 3.84 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 0.00 0.00 0.00 22 T 8.96 4.36 4.29 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 1.26 0.00 0.00 23 I 8.36 3.92 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.17 0.86 0.00 0.00 24 E 8.22 3.99 0.00 2.06 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 2.41 2.43 0.00 25 E 8.22 4.05 0.00 2.38 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 2.38 2.41 0.00 26 R 8.42 3.96 0.00 2.28 1.93 0.00 3.12 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 27 V 8.21 3.82 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 1.16 0.00 0.00 1.10 0.00 0.00 28 K 8.33 4.13 0.00 1.98 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.57 7.81 29 K 8.29 3.95 0.00 1.98 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 I 7.65 3.72 2.11 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 1.53 0.52 0.95 0.00 0.00 31 I 7.93 3.87 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.98 1.07 0.00 0.00 32 G 8.38 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 33 E 8.09 4.04 0.00 2.11 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 2.35 2.46 0.00 34 Q 8.24 4.13 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 35 L 8.11 4.66 0.00 1.76 1.68 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.82 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 0.00 0.00 0.00 37 V 6.82 4.43 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 0.81 0.00 0.00 0.96 0.00 0.00 38 K 8.57 4.14 0.00 1.89 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.53 7.81 39 Q 8.75 4.12 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 40 E 8.00 4.54 0.00 1.96 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 2.23 2.33 0.00 41 E 8.11 4.21 0.00 2.07 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 2.58 2.24 0.00 42 V 7.50 3.91 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 0.85 0.00 0.00 0.99 0.00 0.00 43 T 7.98 4.40 4.21 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 1.19 0.00 0.00 44 N 8.66 4.32 0.00 2.83 3.01 0.00 0.00 6.64 6.92 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 45 N 7.92 4.58 0.00 2.78 2.89 0.00 0.00 5.99 7.26 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 46 A 7.55 4.12 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 47 S 9.19 4.71 0.00 3.97 3.95 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 48 F 8.72 4.15 0.00 3.22 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 49 V 8.01 3.80 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 1.02 0.00 0.00 0.99 0.00 0.00 50 E 8.17 4.01 0.00 2.00 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 2.32 2.34 0.00 51 D 7.84 4.47 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 52 L 7.83 4.26 0.00 1.97 1.78 0.86 0.98 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 53 G 8.20 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 54 A 8.15 4.37 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.80 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.49 4.35 0.00 4.04 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 7.89 4.34 0.00 1.76 1.83 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.13 4.41 0.00 2.95 2.73 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 0.00 0.00 0.00 0.00 59 T 7.76 3.71 4.12 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 1.21 0.00 0.00 60 V 7.61 3.51 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 1.03 0.00 0.00 0.90 0.00 0.00 61 E 8.51 4.01 0.00 2.15 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 2.31 2.51 0.00 62 L 8.13 3.94 0.00 1.69 1.47 0.77 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.55 3.49 2.14 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 0.91 0.00 0.00 0.86 0.00 0.00 64 M 7.98 3.99 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 65 A 8.07 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 4.17 0.00 1.90 1.88 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.73 4.07 0.00 2.20 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 0.00 2.45 2.49 0.00 68 E 8.36 3.88 0.00 2.13 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 0.00 2.28 2.30 0.00 69 E 8.26 3.80 0.00 1.84 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 1.73 1.47 0.00 70 F 7.92 4.67 0.00 3.20 3.05 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 71 D 7.83 4.42 0.00 2.71 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 72 T 8.12 4.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 73 E 8.72 4.67 0.00 1.97 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 2.21 2.27 0.00 74 I 8.75 4.36 1.71 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.49 0.89 0.00 0.00 75 P 0.00 4.43 0.00 2.21 1.97 0.00 3.75 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 76 D 8.71 4.36 0.00 2.74 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 77 E 8.04 3.97 0.00 1.96 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 2.29 2.34 0.00 78 E 8.08 4.16 0.00 1.87 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 2.42 2.44 0.00 79 A 7.89 3.85 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 80 E 7.92 3.90 0.00 2.13 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 2.43 0.00 81 K 7.58 4.32 0.00 1.89 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.67 7.81 82 I 7.07 4.10 1.94 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 1.07 0.00 0.00 83 T 8.69 4.69 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 84 T 7.51 4.75 4.11 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 0.00 0.00 1.15 0.00 0.00 85 V 7.53 3.46 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 0.98 0.00 0.00 0.67 0.00 0.00 86 Q 8.29 3.93 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 87 A 7.90 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.95 3.62 2.02 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 1.54 0.73 0.90 0.00 0.00 90 D 8.46 4.32 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 4.05 0.00 3.06 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 92 I 7.57 3.75 1.54 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.57 0.12 0.00 0.00 93 N 8.08 4.58 0.00 2.85 2.69 0.00 0.00 6.93 8.07 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