NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 4.9157 8.1293 118.3314 57.3084 40.8283 174.9989 9 T 4.3141 7.7567 112.4829 61.2504 69.1316 174.7191 10 S 4.2706 8.0917 115.2084 59.2639 64.2365 175.7110 11 F 5.0021 7.3527 120.0433 55.7989 40.5735 175.2789 12 N 4.7340 9.2334 123.8848 55.2634 39.0140 175.6122 13 T 4.8204 9.3194 108.9107 58.8443 73.3321 174.9117 14 V 3.4436 7.8932 120.8874 66.3237 31.5996 177.8490 15 D 4.3775 8.1784 118.0918 57.4030 40.5564 178.5873 16 E 4.1040 8.2844 118.5239 59.2316 29.6329 178.9852 17 W 2.9263 8.2478 128.2017 60.3041 30.6279 177.9025 18 L 2.9438 8.0494 118.9993 57.2942 40.8881 179.2677 19 E 3.8022 8.0776 119.0267 59.1739 29.4150 178.5723 20 A 4.1635 8.5168 121.0068 54.7841 18.4621 178.5414 21 I 4.1118 7.0767 109.1435 60.1979 38.1835 175.8638 22 K 3.8327 7.7305 117.0058 58.5247 30.2110 176.1399 23 M 4.5792 8.4624 117.3790 55.1925 32.4732 177.6787 24 G 4.2591 8.2745 111.0887 47.2416 0.0000 175.6013 25 Q 3.8970 7.8503 117.9368 58.6056 28.5203 177.3413 26 Y 4.7335 7.7304 117.4855 58.0009 38.5536 177.3034 27 K 3.8901 7.9676 120.9580 59.7219 32.2809 178.0578 28 E 3.9884 8.3492 118.5639 59.6078 29.2435 178.9893 29 S 4.2071 8.0866 112.9522 61.6729 63.3599 176.1429 30 F 4.3126 9.0264 120.5921 60.6535 38.6584 177.2924 31 A 4.0761 8.5738 120.5251 55.5345 18.0830 179.1523 32 N 4.4914 8.0743 111.3044 54.7054 38.6609 176.0410 33 A 4.5975 7.8580 121.1228 51.2561 19.9871 177.2050 34 G 3.6551 8.2957 106.6222 45.4979 0.0000 175.1797 35 F 4.6162 7.3591 119.7583 56.2920 37.3218 175.3556 36 T 4.4972 7.7854 108.9125 61.0589 70.0136 174.8614 37 S 4.4927 7.3829 116.0865 55.9638 66.4080 174.6402 38 F 4.1437 8.3202 118.4299 59.7431 38.3671 177.4959 39 D 4.3723 8.1521 117.3629 57.4562 41.2629 178.3165 40 V 3.8201 7.4949 118.1195 64.8000 31.5380 178.1109 41 V 3.6084 7.7409 119.2988 65.7995 31.1052 177.9301 42 S 4.1432 8.2020 111.7524 60.2823 62.8814 175.1575 43 Q 4.3946 7.8966 120.6094 55.1586 29.5542 175.6838 44 M 4.1214 7.5578 120.9839 55.6898 32.6532 175.9887 45 M 4.7025 9.1960 121.8485 52.9040 36.5012 176.7089 46 M 3.8831 8.4751 118.3927 59.2506 32.0372 177.4849 47 E 3.9125 8.2332 117.8702 59.9023 29.5751 179.0972 48 D 4.2960 7.9723 117.8433 57.4866 40.7832 178.8623 49 I 3.4225 7.4704 120.2052 64.1592 36.9732 178.5589 50 L 4.0898 8.0854 120.0684 57.8190 41.2356 179.7384 51 R 3.9147 7.8415 116.9520 59.2929 30.1761 179.1659 52 V 3.8627 7.6364 110.0290 62.4520 31.3982 177.0977 53 G 3.8284 7.9616 107.3811 45.2173 0.0000 173.6757 54 V 3.6045 7.7156 120.3304 62.3779 30.9071 175.8150 55 T 4.3915 8.3531 117.1981 61.8201 70.3604 175.2396 56 L 4.2221 7.7321 123.5880 53.7523 43.1304 176.7799 57 A 4.2414 8.7881 126.3437 55.6033 18.2931 179.9421 58 G 3.6445 8.0791 103.3972 48.2215 0.0000 175.5188 59 H 4.2797 8.1860 117.9684 58.7667 28.8810 177.5100 60 Q 3.9482 8.0897 119.9012 58.9638 28.5790 179.0159 61 K 3.8794 8.0539 120.3438 59.3193 32.3300 178.3506 62 K 3.8047 8.2881 120.0440 59.8416 31.9545 178.6625 63 I 3.7043 7.9827 119.7212 64.3346 37.0288 178.0320 64 L 3.9974 8.3671 121.5076 58.5563 42.0454 178.8947 65 N 4.3924 8.8296 116.5287 56.1405 38.3128 177.5100 66 S 4.2262 8.1497 114.8074 61.4371 62.5856 176.0945 67 I 3.6716 8.3191 122.9152 64.7107 36.8744 178.4268 68 Q 4.0688 8.4952 119.0885 58.9044 28.4528 179.1708 69 V 3.6044 7.7151 119.0493 65.9044 31.4849 177.6832 70 M 3.8918 8.3452 118.3758 58.7086 32.1284 178.1383 71 R 3.7927 8.5230 118.7606 59.4719 30.0494 178.3571 72 A 3.9950 7.7556 119.3437 55.0955 18.6099 179.4212 73 Q 3.9162 8.1556 116.6998 59.3027 28.3848 178.5861 74 M 3.9638 8.1451 119.9574 58.6420 31.7914 178.6460 75 N 4.1696 8.0162 115.1634 55.9939 38.6434 177.3942 76 Q 4.1084 7.6333 119.1115 58.7005 29.3930 178.1476 77 I 4.0975 7.5199 119.0873 66.3990 37.2033 176.2022 78 Q 3.9156 7.1826 124.0357 55.1370 27.8930 177.6988 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 8 Y 8.13 4.92 0.00 3.00 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 9 T 7.76 4.31 4.19 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 1.28 0.00 0.00 10 S 8.09 4.27 0.00 2.80 3.52 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 11 F 7.35 5.00 0.00 3.34 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.23 4.73 0.00 2.83 2.97 0.00 0.00 6.93 7.54 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 13 T 9.32 4.82 4.29 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 1.31 0.00 0.00 14 V 7.89 3.44 1.99 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 1.28 0.00 0.00 0.36 0.00 0.00 15 D 8.18 4.38 0.00 2.81 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 16 E 8.28 4.10 0.00 2.74 2.60 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 2.49 2.49 0.00 17 W 8.25 2.93 0.00 3.14 3.45 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 0.00 0.00 0.00 0.00 18 L 8.05 2.94 0.00 1.61 1.41 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.08 3.80 0.00 2.38 2.03 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 2.32 2.35 0.00 20 A 8.52 4.16 1.67 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 21 I 7.08 4.11 1.66 0.00 0.00 0.06 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 0.27 0.65 0.00 0.00 22 K 7.73 3.83 0.00 1.81 1.85 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.33 7.81 23 M 8.46 4.58 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.70 0.00 24 G 8.27 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 0.00 0.00 0.00 25 Q 7.85 3.90 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 1.50 1.29 0.00 26 Y 7.73 4.73 0.00 3.23 3.28 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 27 K 7.97 3.89 0.00 1.81 2.07 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.58 7.81 28 E 8.35 3.99 0.00 2.07 2.03 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 2.44 2.46 0.00 29 S 8.09 4.21 0.00 4.27 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 0.00 30 F 9.03 4.31 0.00 3.28 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 31 A 8.57 4.08 1.40 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 0.00 0.00 32 N 8.07 4.49 0.00 2.82 2.91 0.00 0.00 6.92 7.33 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 33 A 7.86 4.60 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 34 G 8.30 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.36 4.62 0.00 3.28 3.12 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 36 T 7.79 4.50 4.23 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 1.22 0.00 0.00 37 S 7.38 4.49 0.00 3.93 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 38 F 8.32 4.14 0.00 3.16 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 39 D 8.15 4.37 0.00 2.68 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 40 V 7.49 3.82 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 1.07 0.00 0.00 1.17 0.00 0.00 41 V 7.74 3.61 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 0.74 0.00 0.00 1.14 0.00 0.00 42 S 8.20 4.14 0.00 4.00 3.98 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 43 Q 7.90 4.39 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 44 M 7.56 4.12 0.00 1.68 1.96 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.54 0.00 45 M 9.20 4.70 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 46 M 8.48 3.88 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 47 E 8.23 3.91 0.00 2.06 1.99 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 2.40 2.47 0.00 48 D 7.97 4.30 0.00 2.61 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 0.00 0.00 0.00 0.00 49 I 7.47 3.42 1.94 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 1.44 0.67 0.81 0.00 0.00 50 L 8.09 4.09 0.00 1.83 1.68 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.84 3.91 0.00 1.93 2.02 0.00 3.21 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 52 V 7.64 3.86 1.87 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 0.50 0.00 0.00 0.61 0.00 0.00 53 G 7.96 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 0.00 0.00 0.00 54 V 7.72 3.60 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 0.55 0.00 0.00 0.23 0.00 0.00 55 T 8.35 4.39 4.25 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 1.29 0.00 0.00 56 L 7.73 4.22 0.00 1.57 1.49 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.79 4.24 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 58 G 8.08 3.64 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 0.00 0.00 0.00 59 H 8.19 4.28 0.00 3.37 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.09 3.95 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 61 K 8.05 3.88 0.00 1.96 1.96 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.46 7.81 62 K 8.29 3.80 0.00 2.01 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81 63 I 7.98 3.70 2.13 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 1.16 0.00 0.00 64 L 8.37 4.00 0.00 1.89 1.80 0.92 0.80 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 65 N 8.83 4.39 0.00 2.98 2.89 0.00 0.00 6.72 6.95 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 66 S 8.15 4.23 0.00 4.16 4.40 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 67 I 8.32 3.67 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 1.00 0.00 0.00 68 Q 8.50 4.07 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 69 V 7.72 3.60 2.29 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 1.05 0.00 0.00 1.04 0.00 0.00 70 M 8.35 3.89 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 71 R 8.52 3.79 0.00 2.06 2.02 0.00 3.30 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 72 A 7.76 4.00 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 73 Q 8.16 3.92 0.00 2.14 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.11 2.44 0.00 74 M 8.15 3.96 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 75 N 8.02 4.17 0.00 2.84 2.86 0.00 0.00 7.11 7.13 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 76 Q 7.63 4.11 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.67 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 77 I 7.52 4.10 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.89 0.00 0.00 78 Q 7.18 3.92 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00