NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9418 8.3393 109.7338 45.1758 0.0000 176.1778 3 P 4.1884 0.0000 0.0000 62.6689 31.6247 174.6344 4 G 4.0718 7.2011 106.0021 44.1710 0.0000 172.9706 5 I 4.2334 7.3715 113.2326 60.1989 39.8363 174.9593 6 Q 4.9119 8.4219 122.2186 55.1346 30.4516 175.2354 7 V 4.9108 8.9394 118.6581 60.1148 36.3421 175.0679 8 K 5.0489 8.8605 126.0674 53.2517 34.4450 176.6065 9 A 4.4071 8.8489 127.7729 51.4438 18.7188 178.3042 10 L 4.0327 8.9395 123.3056 56.4357 42.3641 176.5373 11 Y 5.0194 7.5237 113.9572 56.0314 42.2944 174.7330 12 D 4.8774 8.9253 120.9143 54.9070 41.9473 175.4706 13 Y 4.6131 8.5506 122.8267 55.9667 42.4257 173.2481 14 D 4.8220 7.5712 125.7407 51.8881 42.7011 176.0723 15 A 4.1762 8.3798 126.0829 53.0477 18.2110 177.1777 16 Q 4.3470 9.7236 121.3028 56.2581 30.2595 175.1703 17 T 4.6536 7.5832 106.3260 59.1810 72.0536 172.7108 18 G 3.7850 8.5297 110.0060 47.5099 0.0000 173.1040 19 D 4.5711 8.9438 121.8534 55.0242 38.3584 173.1250 20 E 5.1990 7.7142 117.4019 55.8558 30.6162 176.3293 21 L 4.6143 9.0015 123.0774 54.8108 42.9360 176.4375 22 T 4.8121 8.5380 119.1164 62.4906 70.2077 173.8467 23 F 5.0921 8.6002 119.6854 56.0853 42.0974 172.8259 24 K 5.1728 9.6551 118.2571 53.9714 35.6951 175.8436 25 E 4.1665 9.5527 123.4521 58.5494 29.7614 177.6699 26 G 4.0352 9.1326 115.2141 45.0455 0.0000 173.4792 27 D 4.5622 8.3318 120.6642 54.8227 42.0914 175.4717 28 T 4.8786 8.4208 119.1338 62.4495 69.9144 174.1315 29 I 4.6319 8.6919 127.4433 59.4422 40.6582 174.6983 30 I 4.4085 8.3859 127.4241 60.5422 38.6419 175.0182 31 V 4.3529 8.7682 128.5520 61.9994 31.8769 176.1104 32 H 4.5346 9.1021 127.1782 58.5925 29.4023 176.4837 33 Q 4.3515 7.8073 115.4966 53.9336 33.1293 175.3858 34 K 3.3755 7.9339 124.1129 54.5646 29.7343 176.0545 35 D 4.8105 8.1641 121.4669 53.3656 42.0875 175.6166 36 P 4.3823 0.0000 0.0000 64.0698 31.9293 176.0929 37 A 3.9737 8.9206 121.9119 52.0586 16.4802 179.2406 38 G 3.7744 8.8460 105.7536 44.8367 0.0000 173.0654 39 W 5.0195 7.7733 118.7241 54.6175 31.8361 174.8894 40 W 5.5995 9.6291 124.8199 55.1630 31.9900 175.4204 41 E 4.3507 9.3733 122.9342 56.1219 29.8336 176.1352 42 G 4.5698 9.4160 112.0879 44.3119 0.0000 170.3172 43 E 5.2888 9.0344 119.5989 54.6945 33.6086 173.7969 44 L 4.7025 9.3281 127.3164 54.6445 46.2772 174.8486 45 N 4.1731 9.9482 123.3243 54.5439 36.0747 175.2685 46 G 3.9458 8.7676 106.3554 45.8844 0.0000 174.4741 47 K 4.6321 8.0633 121.3098 52.3641 34.8290 179.6371 48 R 4.9676 8.1454 123.4089 54.0660 32.1280 175.3364 49 G 3.9400 8.3336 111.5355 45.7756 0.0000 171.9881 50 W 5.4466 8.8630 120.1548 56.6138 30.6479 176.2395 51 V 5.0607 9.4418 123.5835 60.3147 34.5961 172.9730 52 P 3.1484 0.0000 0.0000 61.6936 31.6128 177.2209 53 A 2.7011 7.8994 127.4078 54.2596 18.1428 178.2772 54 N 4.6108 7.5261 110.5207 53.9624 37.9257 175.0830 55 Y 4.6563 8.0522 116.8819 58.5309 38.7033 175.1688 56 V 4.9329 7.2127 111.2753 59.3684 35.7489 174.7517 57 Q 4.6425 8.7929 124.0706 54.0207 31.8627 174.4484 58 D 4.8750 9.0078 126.6906 54.4316 41.6558 176.5187 59 I 4.0875 8.1670 115.9214 61.0068 37.6331 175.1978 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 2 G 8.34 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.19 0.00 2.33 2.21 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 4 G 7.20 4.07 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 5 I 7.37 4.23 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.92 0.84 0.00 0.00 6 Q 8.42 4.91 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 7 V 8.94 4.91 2.20 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 0.85 0.00 0.00 0.96 0.00 0.00 8 K 8.86 5.05 0.00 1.39 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.24 7.81 9 A 8.85 4.41 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 10 L 8.94 4.03 0.00 0.27 0.57 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.52 5.02 0.00 2.73 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 12 D 8.93 4.88 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.55 4.61 0.00 2.61 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 14 D 7.57 4.82 0.00 2.26 2.35 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 15 A 8.38 4.18 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 16 Q 9.72 4.35 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 17 T 7.58 4.65 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 1.11 0.00 0.00 18 G 8.53 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 0.00 0.00 0.00 19 D 8.94 4.57 0.00 3.08 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 20 E 7.71 5.20 0.00 2.06 2.25 0.00 0.00 0.00 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 2.30 0.00 21 L 9.00 4.61 0.00 1.93 1.91 1.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.54 4.81 4.28 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 1.16 0.00 0.00 23 F 8.60 5.09 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.66 5.17 0.00 1.89 1.79 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.40 7.81 25 E 9.55 4.17 0.00 1.95 1.95 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 2.33 2.28 0.00 26 G 9.13 4.04 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 0.00 0.00 0.00 27 D 8.33 4.56 0.00 2.94 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 28 T 8.42 4.88 4.24 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 1.19 0.00 0.00 29 I 8.69 4.63 1.75 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.91 0.00 0.00 30 I 8.39 4.41 1.75 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 1.08 0.93 0.73 0.00 0.00 31 V 8.77 4.35 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 0.88 0.00 0.00 1.11 0.00 0.00 32 H 9.10 4.53 0.00 3.15 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.81 4.35 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 34 K 7.93 3.38 0.00 1.15 0.94 0.00 1.27 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.66 7.81 35 D 8.16 4.81 0.00 3.20 2.89 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 36 P 0.00 4.38 0.00 2.24 2.13 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 37 A 8.92 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 3.77 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 0.00 0.00 0.00 39 W 7.77 5.02 0.00 2.71 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 40 W 9.63 5.60 0.00 3.33 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 41 E 9.37 4.35 0.00 1.95 1.78 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 0.00 1.59 2.55 0.00 42 G 9.42 4.57 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 0.00 0.00 0.00 43 E 9.03 5.29 0.00 2.11 1.74 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 2.23 2.45 0.00 44 L 9.33 4.70 0.00 1.80 1.52 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.95 4.17 0.00 2.94 2.90 0.00 0.00 7.16 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 46 G 8.77 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 0.00 0.00 0.00 47 K 8.06 4.63 0.00 1.67 1.64 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.20 7.81 48 R 8.15 4.97 0.00 1.77 1.78 0.00 3.17 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.74 0.00 49 G 8.33 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.86 5.45 0.00 3.42 3.42 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 51 V 9.44 5.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.06 0.00 0.00 52 P 0.00 3.15 0.00 1.41 0.49 0.00 3.75 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.00 53 A 7.90 2.70 -0.42 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 54 N 7.53 4.61 0.00 2.78 2.80 0.00 0.00 5.99 7.55 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 55 Y 8.05 4.66 0.00 3.28 3.40 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 56 V 7.21 4.93 2.07 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 0.48 0.00 0.00 1.02 0.00 0.00 57 Q 8.79 4.64 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 58 D 9.01 4.88 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.09 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.96 0.00 0.00