NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7392 8.4249 118.2172 53.1239 38.8155 173.2389 2 S 5.3606 8.2372 111.7344 57.6440 65.3991 169.4689 3 V 5.1521 7.1633 110.2837 59.8111 35.9930 174.8020 4 R 4.6417 8.4039 117.2221 55.3423 33.1288 173.3141 5 D 4.8971 8.3744 120.4295 53.4555 42.3633 175.7252 6 A 2.5800 6.5998 123.4934 50.9253 24.1085 174.1444 7 Y 4.8730 7.6006 115.8932 57.1490 39.1481 175.8819 8 I 4.2533 8.4286 124.8153 60.9649 39.4627 174.2404 9 A 5.1821 8.9607 129.7726 50.2576 22.2455 175.6076 10 G 3.9868 8.6998 109.2307 42.4162 0.0000 170.6646 11 P 4.2646 0.0000 0.0000 63.0306 31.3463 176.1295 12 H 4.5839 8.4226 120.6975 54.4907 30.7706 173.2972 13 N 4.1753 8.6068 125.1992 55.0711 37.2170 174.1026 14 C 4.8273 7.6242 113.4181 54.7084 43.0099 174.9195 15 V 4.4079 7.8902 117.0697 61.0133 32.7025 175.1077 16 Y 4.5081 8.5587 119.5340 56.4858 39.1211 175.7735 17 E 4.6877 8.8549 124.3159 56.6934 30.5395 175.3667 18 C 4.7445 8.4493 114.1198 54.1970 44.6156 173.5222 19 A 4.6569 8.4341 122.4270 52.0539 21.2343 176.7829 20 R 5.0471 7.5862 110.8276 53.7210 32.8603 176.1116 21 N 4.5840 9.0746 117.3019 56.6103 38.5586 177.2979 22 E 3.9574 8.3618 120.3049 59.3565 29.6968 177.9739 23 Y 4.1349 7.7352 118.7830 61.1093 38.8279 177.7281 24 C 4.0536 8.1971 116.8348 59.6751 38.7574 175.3880 25 N 4.3456 8.2900 118.9180 56.6120 38.5451 176.4125 26 D 4.1993 8.2378 119.6461 57.2530 41.1389 177.8642 27 L 3.6362 7.2765 119.2422 58.2042 42.2493 178.1316 28 C 4.2622 8.3236 116.8919 60.2850 39.5523 176.2770 29 T 4.1418 8.4021 113.3167 63.9910 68.0951 176.0927 30 K 4.1828 8.0326 119.8209 58.3515 32.7336 177.7151 31 N 4.7787 7.6977 116.9765 52.9676 38.9602 175.6429 32 G 3.8651 7.9906 109.8645 45.0162 0.0000 174.3839 33 A 4.7788 7.4318 121.7372 51.0634 19.2700 178.1581 34 K 4.1045 8.7347 122.0555 59.5877 32.9799 176.5715 35 S 4.6226 7.6535 112.2671 58.7481 65.9476 174.6071 36 G 4.4164 9.2656 106.1520 46.3740 0.0000 171.9662 37 Y 5.0189 8.0496 117.4574 55.8750 42.0258 172.7131 38 C 4.5361 9.3567 121.3637 55.8752 45.6726 172.4620 39 Q 4.6704 8.8062 128.5436 54.6216 29.3788 175.9521 40 W 4.4615 9.2727 127.0247 57.7602 29.8620 177.2057 41 V 4.4968 7.5799 117.8283 60.3244 33.6407 174.5122 42 G 4.1176 8.2763 112.1097 45.1235 0.0000 172.9293 43 K 3.8467 9.1970 119.5322 59.0060 32.1326 177.6374 44 Y 4.6127 7.8912 113.7860 57.2281 38.8619 177.5846 45 G 3.8870 7.8925 108.7610 44.8126 0.0000 172.8563 46 N 4.6076 9.0468 118.9765 54.1431 39.3106 176.0464 47 G 4.4408 8.5460 113.7607 46.1779 0.0000 171.3208 48 C 4.9510 8.7488 119.7592 56.3665 42.8412 172.4917 49 W 4.7671 8.8204 134.0467 55.6230 32.6547 173.6906 50 C 5.1754 8.4492 124.4717 55.2037 43.2338 172.6444 51 I 4.6402 8.4780 123.3151 59.8675 39.1196 175.9681 52 E 3.7030 9.0380 127.5565 57.2764 27.5156 174.3681 53 L 4.4185 7.8885 121.3126 53.9346 43.8923 175.1575 54 P 4.7555 0.0000 0.0000 62.6948 32.6270 176.4000 55 D 4.7713 8.9864 121.5033 54.2144 39.9360 177.0714 56 N 4.6819 8.1832 115.3775 53.0012 38.1787 174.6113 57 V 4.3042 7.1690 119.2021 60.2596 33.4469 173.4681 58 P 4.5900 0.0000 0.0000 62.7488 32.4061 175.1784 59 I 5.0263 7.9764 115.0975 58.6287 40.9790 174.8471 60 R 4.0950 8.7868 124.6517 56.5070 30.2376 176.1384 61 V 4.6282 8.5807 118.7178 58.2904 35.5284 173.5843 62 P 4.3391 0.0000 0.0000 63.4571 31.6459 176.8778 63 G 3.8476 8.0467 107.8386 43.9410 0.0000 172.5116 64 K 4.5347 8.0517 118.7368 54.8486 34.8411 176.1512 65 C 4.7626 8.7601 120.3326 55.7224 45.1016 173.1674 66 H 4.5042 8.8498 122.3082 55.8024 28.3017 173.0314 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 1 N 8.42 4.74 0.00 2.82 2.93 0.00 0.00 5.92 6.76 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 2 S 8.24 5.36 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.16 5.15 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 0.67 0.00 0.00 0.92 0.00 0.00 4 R 8.40 4.64 0.00 1.77 1.94 0.00 3.06 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 5 D 8.37 4.90 0.00 2.75 2.88 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 0.00 0.00 0.00 6 A 6.60 2.58 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.60 4.87 0.00 2.86 2.83 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 8 I 8.43 4.25 1.70 0.00 0.00 0.60 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 1.45 0.72 0.00 0.00 9 A 8.96 5.18 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.70 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 11 P 0.00 4.26 0.00 1.84 1.79 0.00 3.52 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 1.97 2.07 0.00 12 H 8.42 4.58 0.00 2.73 2.99 0.00 5.76 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.61 4.18 0.00 2.89 2.85 0.00 0.00 6.92 7.65 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 14 C 7.62 4.83 0.00 2.78 2.74 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 15 V 7.89 4.41 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 0.33 0.00 0.00 0.84 0.00 0.00 16 Y 8.56 4.51 0.00 2.96 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 17 E 8.85 4.69 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 18 C 8.45 4.74 0.00 3.01 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 19 A 8.43 4.66 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.59 5.05 0.00 2.09 2.11 0.00 3.06 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 21 N 9.07 4.58 0.00 2.92 3.06 0.00 0.00 6.59 7.66 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 22 E 8.36 3.96 0.00 2.14 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 2.43 2.49 0.00 23 Y 7.74 4.13 0.00 3.22 3.20 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 0.00 24 C 8.20 4.05 0.00 3.16 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 25 N 8.29 4.35 0.00 2.94 2.81 0.00 0.00 6.83 8.49 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 26 D 8.24 4.20 0.00 2.81 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 27 L 7.28 3.64 0.00 1.27 1.36 -0.04 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.32 4.26 0.00 3.02 3.04 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 0.00 0.00 0.00 29 T 8.40 4.14 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 1.31 0.00 0.00 30 K 8.03 4.18 0.00 1.87 1.91 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.36 7.81 31 N 7.70 4.78 0.00 2.80 2.75 0.00 0.00 7.24 7.74 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 32 G 7.99 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.43 4.78 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 K 8.73 4.10 0.00 1.76 1.85 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 35 S 7.65 4.62 0.00 4.10 3.96 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 36 G 9.27 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 0.00 0.00 0.00 0.00 37 Y 8.05 5.02 0.00 3.30 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 38 C 9.36 4.54 0.00 2.86 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 0.00 0.00 0.00 0.00 39 Q 8.81 4.67 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 40 W 9.27 4.46 0.00 3.54 3.16 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 41 V 7.58 4.50 2.19 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 0.79 0.00 0.00 0.98 0.00 0.00 42 G 8.28 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 0.00 0.00 0.00 0.00 43 K 9.20 3.85 0.00 1.73 1.98 0.00 1.71 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.30 1.15 7.81 44 Y 7.89 4.61 0.00 2.14 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.05 4.61 0.00 2.82 2.82 0.00 0.00 6.65 7.98 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 47 G 8.55 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.75 4.95 0.00 2.92 2.91 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 49 W 8.82 4.77 0.00 2.82 1.82 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 50 C 8.45 5.18 0.00 2.50 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.64 1.90 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.97 0.00 0.00 52 E 9.04 3.70 0.00 2.13 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 2.22 2.23 0.00 53 L 7.89 4.42 0.00 1.58 1.49 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.76 0.00 2.20 1.92 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 55 D 8.99 4.77 0.00 2.78 2.86 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 56 N 8.18 4.68 0.00 2.83 2.94 0.00 0.00 5.94 7.68 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 57 V 7.17 4.30 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 0.75 0.00 0.00 0.91 0.00 0.00 58 P 0.00 4.59 0.00 2.30 1.93 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 59 I 7.98 5.03 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.80 0.00 0.00 60 R 8.79 4.09 0.00 1.55 1.66 0.00 3.13 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 61 V 8.58 4.63 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 0.83 0.00 0.00 0.98 0.00 0.00 62 P 0.00 4.34 0.00 2.09 2.08 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 63 G 8.05 3.85 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 0.00 0.00 0.00 64 K 8.05 4.53 0.00 1.86 1.80 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.46 7.81 65 C 8.76 4.76 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.85 4.50 0.00 3.34 3.31 0.00 5.54 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