NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6308 8.3193 116.8022 58.6597 64.7419 173.1777 3 D 5.2666 8.3379 135.0000 51.9925 38.1904 177.4791 4 K 2.4977 9.5908 120.0222 55.6865 33.0091 175.3197 5 P 4.3660 0.0000 0.0000 62.2729 31.8461 176.4148 6 K 4.2709 8.4654 122.7493 55.5886 32.8984 177.1433 7 R 2.9141 8.3823 121.2778 55.7357 30.4509 175.0386 8 P 4.4285 0.0000 0.0000 62.0617 32.2997 175.7484 9 L 4.1677 8.1331 119.7989 54.0322 42.3672 178.1042 10 S 4.3622 8.4672 118.1880 57.8744 65.0931 175.3714 11 A 4.0534 8.4556 123.7349 55.5819 18.2767 179.1276 12 Y 2.3900 7.5976 117.1272 60.2639 38.6627 177.9660 13 A 3.8586 7.9457 121.4420 55.3905 18.2358 179.6319 14 L 3.9642 8.0407 116.3658 56.9567 41.9816 179.1292 15 W 2.5485 7.2677 128.1372 59.3092 30.6294 177.5901 16 L 2.6871 7.4172 120.5728 58.0651 41.1066 178.6901 17 N 4.2945 7.3406 113.8875 54.7814 38.3394 175.7510 18 S 4.5569 7.2873 114.1666 57.5010 63.3702 174.6619 19 A 4.3052 7.4201 121.0201 51.2473 21.9690 178.9632 20 R 3.6458 7.8368 116.1514 59.4706 29.9667 178.0804 21 E 3.8596 7.8972 117.5175 59.4647 29.5349 179.0292 22 S 4.0743 7.9181 112.5900 61.4769 62.3427 176.2381 23 I 3.7092 7.8477 122.4512 64.3763 36.7031 178.5997 24 K 3.9029 8.0532 118.2484 59.0794 31.8080 179.1642 25 R 4.0565 7.7105 118.4881 59.4127 30.2485 178.1284 26 E 4.3850 8.1742 116.8102 57.6484 29.9162 176.5780 27 N 4.8416 8.3112 115.7192 50.3754 40.5713 172.0234 28 P 4.3519 0.0000 0.0000 63.5101 31.9935 177.0205 29 G 3.8884 8.7361 108.9587 46.1786 0.0000 173.2594 30 I 3.9255 7.2495 118.8415 60.0679 38.7425 175.5062 31 K 4.5567 8.2630 126.0036 55.1063 34.8364 177.3854 32 V 3.5402 8.3034 119.5150 66.7339 31.2111 178.4510 33 T 3.8326 7.8790 114.8174 66.7819 68.3589 175.9590 34 E 4.0391 8.5668 121.3770 58.8241 29.6257 178.3679 35 V 3.5223 7.8464 117.7883 66.0250 31.4226 177.3532 36 A 4.0504 8.3875 120.4672 55.2083 17.7163 179.3317 37 K 3.8684 7.8440 117.5803 59.9653 32.0713 179.0175 38 R 4.1235 8.5700 119.3261 59.0184 29.8540 178.3478 39 G 4.1634 8.9911 106.4251 48.7616 0.0000 174.9906 40 G 4.0409 8.2937 107.3958 48.2457 0.0000 174.8168 41 E 4.0309 8.1869 122.7645 58.0397 29.9232 178.6233 42 L 4.5116 7.4812 118.6930 56.2425 43.2353 177.8812 43 W 3.7576 8.6874 128.8769 60.0128 30.7963 180.4469 44 R 4.2051 8.3478 119.4698 55.1052 28.8379 176.9218 45 A 4.3329 7.1590 119.1528 52.8014 24.0415 177.3968 46 M 4.0136 8.2184 116.8700 55.0292 32.3588 174.5231 47 K 3.9132 7.6770 123.7740 57.6826 32.6383 176.9924 48 D 4.5520 7.6999 120.8562 53.3562 40.2753 176.8008 49 K 4.3447 7.9886 120.3531 56.4429 32.2263 178.0720 50 S 4.3036 7.8294 118.1386 61.0665 62.7313 175.8728 51 E 3.6608 8.0320 122.7374 58.7171 29.1105 178.6800 52 W 4.5670 7.7819 118.1034 59.5632 28.9117 178.3968 53 E 4.1794 8.4164 118.3323 59.1825 28.8548 179.0547 54 A 4.0306 8.3825 121.2037 55.2918 18.5295 179.7186 55 K 3.9097 7.9068 116.3004 59.6910 32.1149 179.4830 56 A 4.2082 8.2766 120.6793 54.8460 18.2416 179.4468 57 A 4.0733 7.6741 118.3352 54.7347 19.0370 179.4704 58 K 3.8315 8.2275 117.9963 59.6815 32.1228 178.5368 59 A 4.0007 8.4921 121.2289 55.2356 18.3564 179.2480 60 K 3.8540 8.3524 118.0061 59.9538 32.3511 178.5787 61 D 4.4183 8.7163 119.1860 57.6023 40.5403 178.6671 62 D 4.3789 7.8666 117.7655 57.3990 41.0781 177.5999 63 Y 4.3064 8.3068 120.2575 61.2528 38.7866 177.9003 64 D 4.3013 8.3161 119.3467 57.5341 40.7727 178.5183 65 R 4.4455 7.5522 114.5322 56.3276 30.5780 176.7116 66 A 4.6652 8.1924 122.6695 51.7389 20.7092 178.9279 67 V 3.7018 7.3387 115.2997 63.6750 31.4482 178.4194 68 K 3.9370 7.3444 118.9415 59.2560 32.3871 177.9845 69 E 4.0625 8.0765 119.0913 59.2719 29.2701 178.3139 70 F 4.1176 8.0747 120.2112 61.3819 39.2608 176.3122 71 E 4.2536 7.7948 113.0439 56.6023 29.0521 176.2307 72 A 4.6024 7.3092 119.6662 53.7740 21.9225 177.1282 73 N 4.9712 8.1400 118.3562 52.7267 37.1491 175.9750 74 G 3.6709 8.6658 116.3637 46.8462 0.0000 172.6282 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 S 8.32 4.63 0.00 3.90 3.59 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 3 D 8.34 5.27 0.00 3.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.59 2.50 0.00 1.43 1.59 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 0.89 7.81 5 P 0.00 4.37 0.00 1.99 1.96 0.00 3.28 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 6 K 8.47 4.27 0.00 1.74 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 7 R 8.38 2.91 0.00 1.62 1.61 0.00 2.93 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 8 P 0.00 4.43 0.00 2.12 2.00 0.00 3.05 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 9 L 8.13 4.17 0.00 1.66 1.62 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.47 4.36 0.00 4.04 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 11 A 8.46 4.05 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.60 2.39 0.00 1.43 2.36 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 13 A 7.95 3.86 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 14 L 8.04 3.96 0.00 1.86 1.96 1.13 0.88 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 15 W 7.27 2.55 0.00 2.14 2.59 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 16 L 7.42 2.69 0.00 0.93 1.26 0.38 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.34 4.29 0.00 2.51 2.73 0.00 0.00 6.91 8.33 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 18 S 7.29 4.56 0.00 3.91 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 19 A 7.42 4.31 0.26 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 20 R 7.84 3.65 0.00 1.80 1.78 0.00 3.07 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 21 E 7.90 3.86 0.00 1.95 1.93 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 2.31 2.25 0.00 22 S 7.92 4.07 0.00 3.84 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 23 I 7.85 3.71 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.93 0.00 0.00 24 K 8.05 3.90 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.51 7.81 25 R 7.71 4.06 0.00 1.94 2.06 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 E 8.17 4.39 0.00 2.18 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 2.36 2.44 0.00 27 N 8.31 4.84 0.00 2.76 2.71 0.00 0.00 6.87 8.12 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 28 P 0.00 4.35 0.00 2.03 1.97 0.00 3.79 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 2.02 2.07 0.00 29 G 8.74 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 30 I 7.25 3.93 1.87 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 1.34 0.85 0.94 0.00 0.00 31 K 8.26 4.56 0.00 1.95 1.89 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 32 V 8.30 3.54 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 1.12 0.00 0.00 0.91 0.00 0.00 33 T 7.88 3.83 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 34 E 8.57 4.04 0.00 1.96 1.93 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 2.31 2.46 0.00 35 V 7.85 3.52 2.18 0.00 0.00 0.00 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 0.90 0.00 0.00 36 A 8.39 4.05 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 0.00 0.00 37 K 7.84 3.87 0.00 1.93 2.19 0.00 1.89 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.48 7.81 38 R 8.57 4.12 0.00 2.00 2.19 0.00 3.29 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 39 G 8.99 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 0.00 0.00 0.00 0.00 40 G 8.29 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 41 E 8.19 4.03 0.00 2.06 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 2.47 2.64 0.00 42 L 7.48 4.51 0.00 2.16 2.11 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.69 3.76 0.00 3.13 3.35 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 44 R 8.35 4.21 0.00 1.99 1.96 0.00 3.28 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 45 A 7.16 4.33 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 46 M 8.22 4.01 0.00 1.33 1.46 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 47 K 7.68 3.91 0.00 1.67 1.57 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 48 D 7.70 4.55 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.34 0.00 1.67 1.81 0.00 1.28 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.47 0.94 7.81 50 S 7.83 4.30 0.00 4.01 4.14 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 51 E 8.03 3.66 0.00 1.67 1.12 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 1.91 2.06 0.00 52 W 7.78 4.57 0.00 3.83 3.54 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 53 E 8.42 4.18 0.00 2.22 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 0.00 2.51 2.61 0.00 54 A 8.38 4.03 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 55 K 7.91 3.91 0.00 1.94 1.98 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.70 7.81 56 A 8.28 4.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 4.07 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 0.00 0.00 58 K 8.23 3.83 0.00 1.97 1.95 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 59 A 8.49 4.00 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 0.00 0.00 60 K 8.35 3.85 0.00 1.98 2.00 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.55 7.81 61 D 8.72 4.42 0.00 2.98 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 62 D 7.87 4.38 0.00 2.88 2.77 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 63 Y 8.31 4.31 0.00 3.02 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 64 D 8.32 4.30 0.00 2.94 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 65 R 7.55 4.45 0.00 2.00 1.96 0.00 3.11 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 66 A 8.19 4.67 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 67 V 7.34 3.70 1.45 0.00 0.00 0.00 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 0.69 0.00 0.00 68 K 7.34 3.94 0.00 1.81 2.03 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.43 7.81 69 E 8.08 4.06 0.00 2.13 1.97 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 2.40 2.44 0.00 70 F 8.07 4.12 0.00 3.21 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 E 7.79 4.25 0.00 2.04 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 2.68 2.66 0.00 72 A 7.31 4.60 1.32 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 0.00 0.00 73 N 8.14 4.97 0.00 2.64 2.24 0.00 0.00 7.13 7.76 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 74 G 8.67 3.67 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 0.00 0.00 0.00