NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9376 8.3393 109.7347 45.6402 0.0000 173.0157 4 T 4.5762 7.6414 108.1252 58.5868 72.3071 172.0202 5 N 4.3036 8.8218 118.5557 55.7842 39.5792 176.5319 6 V 3.7691 7.3695 117.9622 64.1011 31.2405 175.9778 7 G 3.8865 8.8853 115.4548 45.4907 0.0000 172.3680 8 R 4.1452 7.8076 120.2895 55.3363 30.7566 175.0428 9 E 4.6763 8.6617 125.6074 54.6067 31.3078 175.5008 10 C 5.0435 8.4732 122.2371 55.1995 43.9374 174.5364 11 C 4.5897 8.5716 120.1469 55.9114 39.6699 173.6210 12 L 4.0197 8.4639 127.8912 57.3112 42.0955 177.0083 13 E 4.5375 7.5225 115.1020 54.4812 33.4842 174.3006 14 Y 4.7656 8.1338 120.2562 57.6104 38.7722 175.4350 15 F 4.5021 9.4017 127.1059 58.6378 40.1743 174.3866 16 K 4.1679 8.0289 124.1117 54.9169 34.9063 174.8612 17 G 3.5549 8.6598 108.8449 42.9467 0.0000 173.2557 18 A 3.9966 8.3755 122.5399 52.3326 18.6151 177.3008 19 I 4.1275 8.2690 124.6432 59.9913 37.9742 174.9131 20 P 4.4699 0.0000 0.0000 61.3609 30.2581 176.2520 21 L 3.8057 8.3981 128.8534 58.5527 42.1210 179.5858 22 R 4.0465 7.8563 112.7041 58.5777 29.4797 177.3601 23 K 4.2442 8.0727 117.4148 57.2020 32.6188 176.6519 24 L 4.4279 7.6697 120.3337 54.6600 42.1579 176.0298 25 K 4.4647 9.0292 124.8124 58.1817 33.9451 175.3179 26 T 4.9808 7.7043 112.2134 61.2149 71.1662 171.5485 27 W 5.8695 8.3520 118.7391 55.5702 31.2520 173.4281 28 Y 4.2555 8.5079 117.8347 55.7036 41.4091 173.1102 29 Q 5.0414 8.4774 122.0715 54.7651 30.2872 175.4440 30 T 4.3809 8.3491 117.1524 61.1881 70.1245 174.0826 31 S 4.1992 8.7951 116.5630 58.4341 62.7329 175.0471 32 E 4.0901 8.8307 124.5877 59.1847 29.3050 177.6640 33 D 4.5561 8.0580 118.0226 55.6580 41.3311 176.2807 34 C 4.4594 7.7083 117.0879 56.6882 40.8391 173.7404 35 S 4.1449 8.7956 117.7907 61.0171 62.1520 174.7574 36 R 4.4785 7.5841 117.8628 54.2041 31.2124 175.4894 37 D 4.4710 8.7141 122.5164 54.2602 41.9486 174.9544 38 A 5.1400 8.3040 127.4372 50.7216 23.3613 174.4294 39 I 4.6740 8.7274 121.1490 59.4877 40.1004 174.8955 40 V 4.5158 8.0955 126.9521 61.1549 33.3492 174.4131 41 F 5.3436 8.8947 127.2070 56.5938 40.9540 174.8579 42 V 4.9660 8.9058 123.2960 61.4200 33.8358 175.5280 43 T 4.8177 8.9458 118.8217 60.6780 70.3344 175.9825 44 V 3.5820 8.5753 122.1381 66.1711 31.4741 176.7572 45 Q 4.2245 8.0586 115.5452 55.8995 28.6533 176.3179 46 G 3.9203 8.2169 106.1832 45.7479 0.0000 174.1003 47 R 4.4262 7.8839 118.3232 55.3839 31.6717 175.2771 48 A 5.3014 8.4861 122.7680 50.3017 21.9464 176.1035 49 I 4.4328 8.7061 121.9559 59.5185 40.5091 174.2196 50 C 5.0418 8.9037 125.7988 56.9417 41.1682 173.3110 51 S 5.0741 9.3916 119.3059 56.7355 67.8194 172.8515 52 D 4.3840 7.9057 121.4442 52.3778 41.1107 175.5769 53 P 4.3579 0.0000 0.0000 64.6412 31.4778 176.8772 54 N 4.5963 8.7154 114.8209 53.6653 39.2929 175.5300 55 N 4.4327 7.9298 118.8902 52.8422 40.4306 175.4061 56 K 3.9146 8.5961 127.7178 60.4004 32.7667 179.5759 57 R 3.9139 8.0109 118.9277 58.6268 29.9845 179.0769 58 V 3.7070 7.9784 117.9957 66.0107 31.5769 178.1676 59 K 3.8467 8.2184 118.4163 59.5002 31.7712 178.8023 60 N 4.2664 8.2936 117.0140 56.5876 38.8838 176.7994 61 A 4.0056 8.1658 122.2774 55.1346 18.4278 179.7781 62 V 3.1704 8.0048 116.8461 65.8950 31.4729 178.2477 63 K 4.2157 8.0957 120.7829 58.8398 31.8461 177.9143 64 Y 4.2418 8.3050 120.2673 61.0317 38.4809 178.3396 65 L 3.6243 7.6718 118.4014 57.8520 42.1018 179.3679 66 Q 4.2697 8.6252 118.6751 58.8559 28.6958 178.8897 67 S 4.2621 8.1910 115.5255 61.4459 63.0521 176.5818 68 L 3.9991 7.6283 122.5584 57.5733 41.0658 179.1838 69 E 4.1280 7.9220 117.5557 58.3862 29.4733 178.4284 70 R 4.3212 7.6078 114.1814 56.6649 30.1342 176.3354 71 S 4.2725 7.7941 119.0892 58.4975 62.6303 173.1293 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 3 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 4 T 7.64 4.58 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 1.21 0.00 0.00 5 N 8.82 4.30 0.00 2.77 2.92 0.00 0.00 6.44 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 6 V 7.37 3.77 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 0.72 0.00 0.00 0.92 0.00 0.00 7 G 8.89 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 8 R 7.81 4.15 0.00 1.98 1.92 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 9 E 8.66 4.68 0.00 1.96 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 2.34 2.45 0.00 10 C 8.47 5.04 0.00 2.95 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 11 C 8.57 4.59 0.00 2.92 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 12 L 8.46 4.02 0.00 1.56 1.65 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.52 4.54 0.00 1.93 1.75 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 2.17 2.25 0.00 14 Y 8.13 4.77 0.00 2.89 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 15 F 9.40 4.50 0.00 3.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.17 0.00 1.48 1.48 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.23 1.35 7.81 17 G 8.66 3.55 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 0.00 0.00 0.00 18 A 8.38 4.00 1.28 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 0.00 0.00 0.00 19 I 8.27 4.13 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.51 0.00 0.00 20 P 0.00 4.47 0.00 2.18 2.20 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 21 L 8.40 3.81 0.00 1.55 1.45 0.76 0.48 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 22 R 7.86 4.05 0.00 1.96 2.03 0.00 3.07 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 23 K 8.07 4.24 0.00 1.99 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.39 7.81 24 L 7.67 4.43 0.00 1.83 1.73 0.62 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.03 4.46 0.00 1.78 1.99 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 26 T 7.70 4.98 4.30 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 0.00 0.00 0.00 1.29 0.00 0.00 27 W 8.35 5.87 0.00 3.21 3.10 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 28 Y 8.51 4.26 0.00 2.85 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 29 Q 8.48 5.04 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 30 T 8.35 4.38 4.31 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 1.33 0.00 0.00 31 S 8.80 4.20 0.00 3.90 3.82 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 32 E 8.83 4.09 0.00 2.13 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 2.30 2.36 0.00 33 D 8.06 4.56 0.00 2.71 2.76 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 0.00 0.00 0.00 0.00 34 C 7.71 4.46 0.00 3.09 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 35 S 8.80 4.14 0.00 3.81 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 36 R 7.58 4.48 0.00 1.83 1.75 0.00 2.77 0.00 0.00 2.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 37 D 8.71 4.47 0.00 2.67 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 38 A 8.30 5.14 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 39 I 8.73 4.67 1.57 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.89 0.27 0.00 0.00 40 V 8.10 4.52 0.71 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 0.93 0.00 0.00 0.68 0.00 0.00 41 F 8.89 5.34 0.00 3.13 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 42 V 8.91 4.97 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 1.15 0.00 0.00 1.09 0.00 0.00 43 T 8.95 4.82 4.34 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 0.00 0.00 0.00 1.20 0.00 0.00 44 V 8.58 3.58 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 0.80 0.00 0.00 0.99 0.00 0.00 45 Q 8.06 4.22 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 46 G 8.22 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 47 R 7.88 4.43 0.00 1.78 1.80 0.00 3.05 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 48 A 8.49 5.30 1.25 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 0.00 0.00 0.00 0.00 0.00 49 I 8.71 4.43 2.12 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.70 1.07 0.00 0.00 50 C 8.90 5.04 0.00 3.10 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 51 S 9.39 5.07 0.00 3.84 3.81 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 52 D 7.91 4.38 0.00 1.58 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 0.00 0.00 0.00 53 P 0.00 4.36 0.00 2.06 2.07 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.11 0.00 54 N 8.72 4.60 0.00 2.72 2.83 0.00 0.00 6.91 7.87 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 55 N 7.93 4.43 0.00 2.65 2.75 0.00 0.00 6.80 7.27 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 56 K 8.60 3.91 0.00 1.96 2.03 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 R 8.01 3.91 0.00 2.03 1.98 0.00 3.09 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 58 V 7.98 3.71 2.33 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 1.14 0.00 0.00 1.02 0.00 0.00 59 K 8.22 3.85 0.00 1.96 1.80 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.66 7.81 60 N 8.29 4.27 0.00 2.82 2.96 0.00 0.00 7.10 7.51 0.00 0.00 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 A 8.17 4.01 1.17 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 0.00 0.00 62 V 8.00 3.17 1.85 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 -0.31 0.00 0.00 0.43 0.00 0.00 63 K 8.10 4.22 0.00 1.87 1.97 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.30 7.81 64 Y 8.31 4.24 0.00 3.01 3.14 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 65 L 7.67 3.62 0.00 1.87 1.89 1.34 0.91 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 66 Q 8.63 4.27 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 67 S 8.19 4.26 0.00 4.07 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 0.00 68 L 7.63 4.00 0.00 1.68 1.69 0.58 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.92 4.13 0.00 2.15 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 0.00 2.58 2.52 0.00 70 R 7.61 4.32 0.00 2.01 2.06 0.00 3.02 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 71 S 7.79 4.27 0.00 3.84 3.72 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