NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2339 8.2644 123.5815 50.5965 20.4501 177.4591 2 S 4.4315 7.3534 108.2480 55.8222 63.3736 169.2583 3 V 4.0022 7.9284 121.4217 61.3970 33.8054 172.7960 4 A 4.4535 8.8458 123.4269 53.3655 19.9241 174.8283 5 T 3.5469 8.1532 117.2514 62.6558 66.8657 172.5177 6 E 4.6303 8.0316 112.3398 54.6340 29.0665 176.3754 7 L 4.5436 7.5558 117.6702 53.7806 43.6807 176.6466 8 R 4.5649 8.1546 122.0832 53.9054 32.4102 176.1883 9 C 4.0570 8.6923 118.8991 56.8254 39.7387 174.3737 10 Q 3.7502 8.5889 126.4029 58.6445 29.1554 178.2106 11 C 5.0477 7.5606 113.2371 54.3896 40.2357 172.9861 12 L 3.8976 7.9344 123.2911 57.5756 42.2098 176.0431 13 Q 4.8714 7.5161 115.0480 54.7666 31.9089 173.9654 14 T 4.6875 7.9148 105.9946 61.3569 71.1473 172.5060 15 L 4.7815 8.2994 122.3292 52.5745 44.3489 177.5899 16 Q 3.8728 8.8125 123.4020 57.9705 29.1207 177.7546 17 G 3.8614 7.1921 102.4220 46.1920 0.0000 171.0545 18 I 4.0976 7.3165 111.4545 60.1375 39.1835 173.1975 19 H 4.1861 8.3770 121.0100 55.9169 30.0344 174.0119 20 P 4.5222 0.0000 0.0000 63.8813 31.6358 177.1008 21 K 4.2607 7.8632 117.9597 58.2709 32.7919 177.4211 22 N 4.5283 7.9109 114.8790 54.5789 38.8828 175.3588 23 I 4.6014 7.3942 118.4823 60.5285 38.7102 174.7836 24 Q 4.5185 8.8199 119.7814 56.9244 32.2886 174.4070 25 S 4.8128 8.0383 111.3255 56.5335 67.4152 173.5602 26 V 4.4543 8.1346 118.8042 61.5347 33.0421 172.9276 27 N 4.6113 8.9927 127.0972 52.3631 40.0296 173.9164 28 V 4.6360 8.3753 127.7849 61.1751 32.5887 174.4153 29 K 4.4549 8.7544 130.6854 54.7935 32.9010 176.2658 30 S 4.8094 8.6418 122.8057 57.4873 64.0207 171.9961 31 P 4.9235 0.0000 0.0000 62.1305 31.6808 176.3322 32 G 3.7668 7.9962 112.7718 44.8852 0.0000 172.5651 33 P 4.7136 0.0000 0.0000 63.2491 31.3952 176.6339 34 H 4.7451 7.8018 114.0238 56.4008 30.6141 173.1523 35 C 4.5742 7.3980 119.5052 54.9954 45.5737 173.3284 36 A 4.3116 8.6684 129.1030 52.5636 18.2597 176.1313 37 Q 4.6642 7.5878 115.8383 54.2379 31.1289 175.7885 38 T 4.0251 8.7373 120.6995 64.3908 69.9291 173.7298 39 E 4.4936 8.7457 121.7399 55.0905 33.3387 174.9892 40 V 4.5805 8.3604 124.9056 62.1615 33.8001 174.7036 41 I 5.2439 8.5998 124.9213 59.6684 42.2012 174.1325 42 A 5.5344 8.5988 125.8818 49.6356 22.3302 175.5070 43 T 4.6999 8.2362 119.6309 62.2992 69.3747 174.8345 44 L 5.0419 8.4395 127.3883 54.1229 43.1347 177.9669 45 K 4.3955 8.5687 116.7512 56.1553 32.5860 177.4043 46 N 4.8189 7.7628 117.3458 52.5364 37.4669 176.1050 47 G 3.8718 8.3243 104.5018 46.9193 0.0000 174.1311 48 R 4.6641 7.2597 118.5192 54.6207 32.7729 175.3116 49 K 5.2364 8.3417 117.9760 55.0995 36.6729 176.1784 50 A 4.5991 8.7297 123.6777 50.9973 22.8157 175.2042 51 C 4.9183 8.9635 120.4790 56.8531 41.8602 172.7911 52 L 5.3028 8.4264 121.3639 52.9372 45.6178 175.2800 53 N 4.8642 8.3826 119.2988 51.6741 39.8035 173.7454 54 P 4.5066 0.0000 0.0000 63.7891 31.7451 176.5957 55 A 4.3367 7.7673 121.4606 53.1442 19.5132 178.1049 56 S 4.6480 7.6402 111.5640 56.7829 66.0317 173.4610 57 P 4.2871 0.0000 0.0000 65.9821 31.3670 178.6835 58 I 3.7456 7.6676 119.1657 63.8744 37.1090 178.4686 59 V 3.5499 7.6494 118.6625 66.1108 31.6207 178.0187 60 K 3.9345 7.7297 117.9622 59.4930 31.8404 179.2295 61 K 4.1205 7.9034 117.9598 58.8616 32.1140 179.2788 62 I 3.7209 7.7672 120.4416 64.4649 36.9622 178.2762 63 I 3.7408 7.7071 120.2256 64.1213 36.9173 177.7706 64 E 3.9138 7.8854 119.3282 59.6278 29.6023 179.2983 65 K 4.0868 8.2095 118.4138 59.4198 32.2601 178.7714 66 M 3.9455 7.8294 118.3174 58.7379 32.0775 178.6556 67 L 3.9386 7.8772 118.7512 58.2984 41.6623 179.4341 68 N 4.3523 8.1082 115.2038 56.4346 38.9432 176.4378 69 S 4.2464 7.7768 115.4770 60.1899 64.0421 174.7697 70 D 4.8821 7.6197 121.2194 51.6769 38.1808 176.9043 71 K 4.2256 7.3623 122.2026 55.5135 32.4391 175.1676 72 S 3.7402 8.1630 120.9203 56.1091 63.0012 171.4177 73 N 3.9335 8.4434 118.0409 53.7629 36.3942 174.3960 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 A 8.26 4.23 1.30 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 0.00 0.00 0.00 2 S 7.35 4.43 0.00 3.86 3.73 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 3 V 7.93 4.00 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 0.76 0.00 0.00 0.92 0.00 0.00 4 A 8.85 4.45 1.22 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 0.00 0.00 5 T 8.15 3.55 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 6 E 8.03 4.63 0.00 2.06 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 2.23 2.26 0.00 7 L 7.56 4.54 0.00 1.53 1.50 0.79 0.67 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 8 R 8.15 4.56 0.00 1.79 1.84 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 9 C 8.69 4.06 0.00 2.98 3.30 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 0.00 10 Q 8.59 3.75 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.36 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 11 C 7.56 5.05 0.00 3.29 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 12 L 7.93 3.90 0.00 1.60 1.74 0.92 0.82 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 13 Q 7.52 4.87 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 14 T 7.91 4.69 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 1.24 0.00 0.00 15 L 8.30 4.78 0.00 1.70 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.81 3.87 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 G 7.19 3.86 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 0.00 0.00 0.00 18 I 7.32 4.10 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.27 0.92 0.00 0.00 19 H 8.38 4.19 0.00 3.16 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.52 0.00 2.18 2.10 0.00 3.29 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 21 K 7.86 4.26 0.00 1.88 1.94 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.52 7.81 22 N 7.91 4.53 0.00 2.81 2.86 0.00 0.00 6.83 7.22 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 23 I 7.39 4.60 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 1.30 0.65 0.94 0.00 0.00 24 Q 8.82 4.52 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 25 S 8.04 4.81 0.00 3.88 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 26 V 8.13 4.45 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 0.74 0.00 0.00 0.93 0.00 0.00 27 N 8.99 4.61 0.00 2.83 2.69 0.00 0.00 6.52 7.01 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 28 V 8.38 4.64 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 0.78 0.00 0.00 0.93 0.00 0.00 29 K 8.75 4.45 0.00 1.91 1.70 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 30 S 8.64 4.81 0.00 3.91 3.88 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 31 P 0.00 4.92 0.00 2.03 2.02 0.00 3.37 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 32 G 8.00 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 33 P 0.00 4.71 0.00 2.23 2.18 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 34 H 7.80 4.75 0.00 3.34 3.39 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.40 4.57 0.00 2.87 2.84 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 0.00 0.00 0.00 36 A 8.67 4.31 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 37 Q 7.59 4.66 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 38 T 8.74 4.03 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 39 E 8.75 4.49 0.00 1.83 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 2.44 2.39 0.00 40 V 8.36 4.58 2.22 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 1.07 0.00 0.00 0.93 0.00 0.00 41 I 8.60 5.24 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.91 0.00 0.00 42 A 8.60 5.53 1.20 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 0.00 0.00 43 T 8.24 4.70 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 1.28 0.00 0.00 44 L 8.44 5.04 0.00 1.66 1.89 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.57 4.40 0.00 1.64 1.83 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.66 1.44 7.81 46 N 7.76 4.82 0.00 2.95 2.98 0.00 0.00 6.91 7.42 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 47 G 8.32 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 48 R 7.26 4.66 0.00 1.88 1.85 0.00 3.07 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 49 K 8.34 5.24 0.00 1.55 1.65 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.48 7.81 50 A 8.73 4.60 1.20 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 0.00 0.00 51 C 8.96 4.92 0.00 2.90 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 52 L 8.43 5.30 0.00 1.50 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.38 4.86 0.00 2.76 2.69 0.00 0.00 7.39 8.92 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 54 P 0.00 4.51 0.00 2.21 2.14 0.00 3.80 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 1.98 1.96 0.00 55 A 7.77 4.34 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 56 S 7.64 4.65 0.00 4.09 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 57 P 0.00 4.29 0.00 2.28 2.34 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 58 I 7.67 3.75 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.91 0.00 0.00 59 V 7.65 3.55 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 1.03 0.00 0.00 0.94 0.00 0.00 60 K 7.73 3.93 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.72 7.81 61 K 7.90 4.12 0.00 1.93 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 1.61 7.81 62 I 7.77 3.72 2.07 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 1.65 1.10 0.91 0.00 0.00 63 I 7.71 3.74 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 1.40 0.77 0.91 0.00 0.00 64 E 7.89 3.91 0.00 2.13 2.02 0.00 0.00 0.00 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 2.53 0.00 65 K 8.21 4.09 0.00 2.14 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 66 M 7.83 3.95 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 67 L 7.88 3.94 0.00 1.81 1.75 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.11 4.35 0.00 2.70 2.88 0.00 0.00 7.29 6.97 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 69 S 7.78 4.25 0.00 4.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.62 4.88 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 71 K 7.36 4.23 0.00 1.90 1.72 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.32 7.81 72 S 8.16 3.74 0.00 4.03 3.83 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 73 N 8.44 3.93 0.00 2.90 2.79 0.00 0.00 5.86 7.56 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