NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2291 8.4293 121.4707 55.6484 31.4469 175.9965 13 L 4.3407 7.5547 116.8949 53.1707 42.5336 170.4839 14 V 4.1515 8.0402 117.6838 60.7200 34.3849 175.5254 15 D 4.4170 8.6876 128.1530 53.3989 41.1700 174.8304 16 P 4.3127 0.0000 0.0000 65.4232 30.9057 177.9035 17 L 3.9722 7.9337 121.1220 58.3141 42.0038 178.8927 18 T 3.8665 8.1088 109.7163 65.2236 68.7403 176.3582 19 T 3.8970 8.0196 118.9725 66.6008 68.4152 176.1598 20 I 3.9739 7.8617 120.9103 63.9982 36.9793 178.6592 21 R 3.9412 7.8436 118.5183 59.2874 30.0941 178.5018 22 E 4.2227 8.5244 118.7947 59.3254 29.4062 178.3923 23 H 4.0656 8.1996 117.9179 60.1085 29.8978 176.6103 24 C 4.1759 8.5038 118.1289 59.8517 39.8469 175.5897 25 E 4.0132 8.0891 118.4967 58.5123 29.0605 178.8348 26 Q 4.1175 7.6979 118.4660 57.9110 29.4065 176.8217 27 T 3.8146 7.4571 116.0338 63.8212 68.7835 173.2898 28 E 3.6373 8.2792 121.6964 60.2529 29.4895 179.3589 29 K 3.8525 8.0233 116.8491 60.1645 32.3526 178.4248 30 C 4.0495 8.2748 115.8236 63.2550 28.0632 176.1137 31 V 3.6454 8.1002 119.2370 66.5581 31.0333 178.5205 32 K 4.1177 8.0348 117.0450 59.1063 31.7393 179.4621 33 A 4.0069 8.6335 121.5667 55.1282 18.3449 179.3923 34 R 3.2472 9.9597 117.0023 59.4475 30.0554 178.1570 35 E 3.8401 8.5131 119.1461 59.5269 29.7696 178.8209 36 R 3.9241 8.2194 118.3039 59.2067 29.9913 178.8673 37 L 3.8634 8.0717 120.1027 58.2143 42.1544 178.4690 38 E 3.8730 8.2289 118.8725 59.6348 29.5790 179.4612 39 L 3.9334 7.8997 118.4737 58.2465 41.6982 178.4800 40 C 4.1637 7.9844 117.6363 59.5031 41.7859 174.7647 41 D 4.3108 8.4669 119.5043 57.8406 40.9938 178.2855 42 A 4.0420 8.3842 121.2220 55.9086 18.3277 179.8108 43 R 4.2462 8.0753 114.3221 58.5177 29.3069 179.3997 44 V 3.5701 7.7252 118.4263 66.0432 31.7364 177.9648 45 S 4.2487 8.6463 114.2962 61.7355 62.9396 175.6381 46 S 4.5911 8.0589 116.8722 58.3243 62.9987 172.8190 47 R 3.8804 7.9979 131.2131 55.6063 29.9239 176.7004 48 S 4.3426 8.4652 121.2600 59.1861 64.1091 173.4884 49 H 3.9667 8.5354 119.9143 57.5716 28.2477 173.7304 50 T 4.5112 7.4048 115.6521 61.7499 68.9889 173.0497 51 E 4.5591 8.3784 115.1276 56.4289 33.5229 175.5530 52 E 4.3626 7.6086 119.0386 56.0577 30.7263 174.4625 53 Q 4.6219 8.0289 118.5228 55.0923 32.9548 175.2343 54 C 5.7325 8.2221 113.5112 56.4988 38.1705 176.9894 55 T 3.4120 7.8840 117.3583 66.5321 67.8961 175.1887 56 E 3.8568 8.0040 120.4817 59.7666 29.4653 178.9139 57 E 4.1177 8.0651 117.5749 59.3506 29.5863 178.8526 58 L 4.0706 8.0098 120.3810 58.2306 41.9561 179.1796 59 F 4.6040 8.6466 117.9627 60.9850 39.0686 177.2430 60 D 4.3220 8.6495 118.9315 57.5301 40.6071 178.8421 61 F 4.2662 8.7649 121.2891 61.2287 39.4276 176.8456 62 L 3.6139 8.7011 118.8710 58.1707 41.6879 178.8986 63 H 3.8913 9.1149 118.7063 59.5116 29.5981 177.0209 64 A 4.0073 7.8779 121.9397 55.6075 18.1149 178.8709 65 R 3.7028 8.1720 117.8242 59.2761 29.8822 178.0916 66 D 4.2720 8.5576 118.7034 57.7024 40.8314 178.5819 67 H 3.9375 7.7478 117.4672 59.3918 30.0104 176.1456 68 C 4.4368 7.8507 120.1290 59.7504 44.7264 175.1901 69 V 3.5704 7.9029 119.8266 66.3045 30.8549 177.5080 70 A 4.0625 8.4441 117.0294 53.8205 18.1674 177.9421 71 H 4.5384 8.2110 115.1316 56.3341 29.6466 175.8754 72 K 4.6498 7.7965 115.8257 56.3223 36.0601 177.6242 73 L 3.9774 8.3728 122.8429 58.4357 42.1845 179.2052 74 F 4.3936 8.4400 116.3635 60.5270 39.1791 177.0757 75 N 4.3906 8.3524 117.8786 56.3176 38.3931 176.5338 76 K 4.1490 7.8714 115.6678 58.2772 32.4803 177.4609 77 L 4.3216 7.3752 118.3074 53.6430 42.6517 176.7289 78 K 4.0752 8.2617 120.1438 56.7194 32.1517 176.4258 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 12 E 8.43 4.23 0.00 1.95 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 0.00 2.19 2.31 0.00 13 L 7.55 4.34 0.00 1.86 1.66 0.92 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.04 4.15 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 0.83 0.00 0.00 0.94 0.00 0.00 15 D 8.69 4.42 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.32 2.33 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 17 L 7.93 3.97 0.00 1.76 1.88 0.95 0.82 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 T 8.11 3.87 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 19 T 8.02 3.90 4.42 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 1.23 0.00 0.00 20 I 7.86 3.97 1.91 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 1.56 0.90 0.98 0.00 0.00 21 R 7.84 3.94 0.00 2.01 2.03 0.00 3.20 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 22 E 8.52 4.22 0.00 2.21 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 2.37 2.65 0.00 23 H 8.20 4.07 0.00 3.21 3.50 0.00 5.78 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 24 C 8.50 4.18 0.00 3.19 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 25 E 8.09 4.01 0.00 2.18 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 0.00 2.83 2.56 0.00 26 Q 7.70 4.12 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 27 T 7.46 3.81 4.42 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 1.19 0.00 0.00 28 E 8.28 3.64 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 29 K 8.02 3.85 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.55 7.81 30 C 8.27 4.05 0.00 3.23 3.33 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 0.00 31 V 8.10 3.65 2.29 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 1.02 0.00 0.00 nan 0.00 0.00 32 K 8.03 4.12 0.00 1.95 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.61 7.81 33 A 8.63 4.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.96 3.25 0.00 1.49 2.13 0.00 3.09 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 35 E 8.51 3.84 0.00 2.06 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 0.00 2.29 2.33 0.00 36 R 8.22 3.92 0.00 2.08 1.98 0.00 3.19 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 1.66 1.94 0.00 37 L 8.07 3.86 0.00 1.78 1.75 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.23 3.87 0.00 2.07 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 2.47 2.45 0.00 39 L 7.90 3.93 0.00 1.91 1.71 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.98 4.16 0.00 2.99 3.19 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 0.00 0.00 0.00 0.00 41 D 8.47 4.31 0.00 2.84 2.81 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 0.00 0.00 0.00 42 A 8.38 4.04 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 43 R 8.08 4.25 0.00 2.08 2.19 0.00 3.03 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.49 0.00 44 V 7.73 3.57 2.06 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 0.83 0.00 0.00 0.94 0.00 0.00 45 S 8.65 4.25 0.00 3.94 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 46 S 8.06 4.59 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.88 0.00 1.78 2.10 0.00 3.31 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 48 S 8.47 4.34 0.00 3.91 3.79 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 49 H 8.54 3.97 0.00 3.19 3.33 0.00 5.91 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.40 4.51 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 1.24 0.00 0.00 51 E 8.38 4.56 0.00 1.86 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 2.17 2.34 0.00 52 E 7.61 4.36 0.00 1.94 1.83 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 2.27 2.25 0.00 53 Q 8.03 4.62 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.26 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 54 C 8.22 5.73 0.00 2.89 2.98 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 55 T 7.88 3.41 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 0.31 0.00 0.00 56 E 8.00 3.86 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 57 E 8.07 4.12 0.00 2.08 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 2.39 2.43 0.00 58 L 8.01 4.07 0.00 1.81 1.81 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.65 4.60 0.00 3.20 3.01 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 60 D 8.65 4.32 0.00 2.88 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 61 F 8.76 4.27 0.00 3.18 3.38 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 0.00 62 L 8.70 3.61 0.00 2.00 1.73 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.11 3.89 0.00 3.18 3.46 0.00 5.59 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 64 A 7.88 4.01 1.38 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 0.00 0.00 0.00 65 R 8.17 3.70 0.00 0.97 1.53 0.00 3.12 0.00 0.00 2.86 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 66 D 8.56 4.27 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.75 3.94 0.00 3.24 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.85 4.44 0.00 2.95 3.36 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 69 V 7.90 3.57 2.21 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 0.96 0.00 0.00 0.99 0.00 0.00 70 A 8.44 4.06 1.14 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 0.00 0.00 71 H 8.21 4.54 0.00 3.35 3.34 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 72 K 7.80 4.65 0.00 1.91 2.01 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 73 L 8.37 3.98 0.00 1.87 1.87 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.44 4.39 0.00 3.01 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 75 N 8.35 4.39 0.00 2.90 2.93 0.00 0.00 7.06 7.96 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 76 K 7.87 4.15 0.00 1.97 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 77 L 7.38 4.32 0.00 1.54 1.39 0.79 0.85 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 78 K 8.26 4.08 0.00 1.66 1.61 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81