NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3109 8.3149 120.0006 56.2609 34.2473 176.1302 2 S 4.3283 7.6495 116.6092 55.8766 64.9881 172.6614 3 P 4.4706 0.0000 0.0000 66.1913 31.7930 177.9577 4 E 3.9167 8.1845 118.7884 59.0168 29.4903 178.5280 5 E 4.0226 7.7928 118.9968 59.0399 29.3701 179.2145 6 L 3.9722 7.7697 119.2497 57.5488 41.6876 179.4784 7 K 3.3054 7.8126 119.0902 59.3495 32.2322 178.5353 8 G 3.6367 8.0264 105.9067 48.0315 0.0000 175.3186 9 I 3.7715 8.4809 122.8662 63.7222 37.1654 177.9847 10 F 3.8867 8.2443 121.5210 61.7458 39.0910 177.1633 11 E 3.4731 8.9392 118.2147 59.1709 29.0188 179.2799 12 K 4.0489 8.3685 119.4020 59.2753 32.4636 177.6694 13 Y 4.1422 8.0509 116.2473 59.8907 38.4899 177.7732 14 A 4.7354 8.7168 123.6675 54.2445 18.1148 179.1266 15 A 4.0828 8.2110 118.5034 54.2529 18.7774 178.8251 16 K 3.7760 7.5572 117.9516 57.8991 32.4169 175.7544 17 E 4.4491 8.6158 118.1847 55.1292 31.7453 177.8687 18 G 3.9147 8.7127 113.8495 44.0776 0.0000 172.2309 19 D 4.3892 8.3076 117.5372 53.9313 41.3786 175.0263 20 P 5.0904 0.0000 0.0000 63.5953 31.6274 176.2304 21 N 4.9083 8.1694 116.3439 53.4246 38.6246 174.6602 22 Q 4.7288 7.7333 116.2062 55.1696 31.8410 174.2891 23 L 4.8387 8.7192 122.5489 54.1182 44.2310 175.2606 24 S 5.1980 8.3174 115.3995 56.1890 67.7824 175.2231 25 K 4.5462 9.3127 120.6753 60.1934 31.9196 178.3878 26 E 3.9538 8.1410 118.1183 59.5074 29.3121 178.9384 27 E 3.9889 8.2061 118.0570 59.3789 29.5853 178.8025 28 L 4.0686 9.2116 121.1487 58.1401 41.9727 178.7108 29 K 4.1158 8.4486 118.8808 59.8798 32.2582 177.7748 30 L 4.2253 7.8780 118.2152 58.2258 41.5675 178.8956 31 L 3.3283 8.1134 119.6108 58.4908 41.8980 178.9507 32 L 3.6182 9.0822 119.8355 58.0991 41.3724 179.2747 33 Q 4.0197 8.1015 119.3963 59.2504 29.1406 177.8773 34 T 4.0963 7.7080 115.9765 66.5410 69.0878 175.4800 35 E 3.6417 8.2877 120.8374 58.7339 29.3100 178.3469 36 F 4.8909 7.4220 122.7124 54.9110 40.7446 173.0136 37 P 4.8501 0.0000 0.0000 64.4682 31.6741 178.2459 38 S 4.1868 8.1467 113.1236 61.1507 61.9513 175.6000 39 L 4.1041 7.7958 120.6754 57.1578 41.0722 179.1659 40 L 4.1793 7.4755 118.5061 57.3235 41.6157 179.0858 41 K 4.2427 7.8657 117.9211 58.0379 32.5127 177.5319 42 G 4.0034 7.0917 106.9892 45.5255 0.0000 173.7201 43 M 4.2372 8.4289 117.1318 56.4051 32.0465 177.3562 44 S 4.4777 7.3077 115.2782 56.9723 62.2005 174.5533 45 T 4.1194 8.0633 116.7667 61.1496 70.5008 174.0000 46 L 3.9928 8.5270 121.4643 58.6063 41.8174 177.9267 47 D 4.4480 8.1298 116.8033 57.7337 41.1259 178.3531 48 E 3.9760 7.9228 118.7762 59.5177 29.3961 179.2852 49 L 3.9387 8.5568 120.7042 57.9604 42.1696 178.5425 50 F 4.2802 8.9428 121.5594 61.5660 39.1222 176.8247 51 E 3.9884 8.8816 117.7050 58.9577 29.4848 178.0833 52 E 4.0393 8.4140 118.9874 59.2625 29.8582 178.2370 53 L 4.2845 8.3876 118.6594 57.2246 42.2027 178.4976 54 D 5.1169 7.8160 125.5228 53.7684 40.7525 175.5989 55 K 4.5626 8.2094 125.6118 56.0611 33.0374 175.8227 56 N 4.6313 8.0762 114.3419 55.8696 40.1307 176.5459 57 G 4.4310 8.3729 104.8110 46.4095 0.0000 173.6291 58 D 4.6926 8.7170 118.8101 53.4738 43.1928 178.4649 59 G 3.9914 8.7143 106.2488 44.8128 0.0000 172.7735 60 E 4.6658 7.7032 118.8921 54.9979 31.3330 177.0275 61 V 4.4001 7.9546 127.2464 61.3636 30.9131 175.8551 62 S 4.5129 8.1147 117.7021 58.8063 65.0657 174.6367 63 F 4.2418 9.0641 123.7100 61.4190 38.4271 177.0116 64 E 3.8593 8.2244 116.0886 59.8196 29.6069 178.7968 65 E 4.0660 7.7359 118.1982 58.3164 29.3660 179.0897 66 F 3.9340 8.1650 120.9431 61.4278 38.9830 177.0349 67 Q 3.6246 8.1676 117.4850 58.8033 27.8986 179.3478 68 V 3.3160 7.7101 119.5245 65.5271 31.4959 177.7473 69 L 3.8451 8.3632 121.0844 57.7422 41.7666 178.7213 70 V 3.7052 7.1273 117.9530 65.7602 31.1852 178.1044 71 K 3.8960 7.4489 118.2778 59.5056 31.8895 179.0649 72 K 3.9678 7.6563 116.8856 59.2335 32.1539 178.7665 73 I 3.5962 7.9332 118.4377 62.7415 37.0223 177.8004 74 S 4.3396 7.1782 116.1094 60.6837 63.2850 173.7899 75 Q 4.0780 7.7468 125.7364 56.2617 28.7803 175.3465 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 K 8.31 4.31 0.00 1.92 2.04 0.00 1.45 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.56 7.81 2 S 7.65 4.33 0.00 3.98 3.84 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 3 P 0.00 4.47 0.00 2.31 2.35 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 4 E 8.18 3.92 0.00 2.02 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 2.35 2.34 0.00 5 E 7.79 4.02 0.00 2.31 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 2.33 2.35 0.00 6 L 7.77 3.97 0.00 2.06 1.85 1.10 1.02 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 7 K 7.81 3.31 0.00 1.50 1.58 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.95 0.51 7.81 8 G 8.03 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 9 I 8.48 3.77 1.94 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 1.45 0.78 0.71 0.00 0.00 10 F 8.24 3.89 0.00 2.73 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 11 E 8.94 3.47 0.00 2.28 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 2.40 2.49 0.00 12 K 8.37 4.05 0.00 1.92 2.18 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.51 7.81 13 Y 8.05 4.14 0.00 3.09 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 14 A 8.72 4.74 0.77 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 15 A 8.21 4.08 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.56 3.78 0.00 1.73 1.69 0.00 1.34 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.31 7.81 17 E 8.62 4.45 0.00 1.90 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 2.20 2.18 0.00 18 G 8.71 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.39 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.09 0.00 2.21 2.14 0.00 3.42 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 1.99 1.93 0.00 21 N 8.17 4.91 0.00 2.98 2.93 0.00 0.00 7.32 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 22 Q 7.73 4.73 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 23 L 8.72 4.84 0.00 1.80 1.74 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.32 5.20 0.00 3.80 3.85 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 0.00 0.00 0.00 0.00 25 K 9.31 4.55 0.00 1.17 1.61 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.48 7.81 26 E 8.14 3.95 0.00 2.05 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 2.40 2.39 0.00 27 E 8.21 3.99 0.00 2.25 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 2.41 2.41 0.00 28 L 9.21 4.07 0.00 1.94 1.81 1.25 0.71 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 29 K 8.45 4.12 0.00 1.95 2.04 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.58 7.81 30 L 7.88 4.23 0.00 2.16 1.85 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.11 3.33 0.00 1.61 1.85 0.51 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.08 3.62 0.00 1.86 1.81 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.10 4.02 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 34 T 7.71 4.10 4.41 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 1.23 0.00 0.00 35 E 8.29 3.64 0.00 1.61 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 2.63 1.78 0.00 36 F 7.42 4.89 0.00 3.07 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 37 P 0.00 4.85 0.00 2.30 2.50 0.00 3.95 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 38 S 8.15 4.19 0.00 4.00 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 39 L 7.80 4.10 0.00 1.90 1.70 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.48 4.18 0.00 1.81 1.76 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.87 4.24 0.00 1.90 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.72 7.81 42 G 7.09 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 0.00 0.00 0.00 43 M 8.43 4.24 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 44 S 7.31 4.48 0.00 3.92 3.84 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 45 T 8.06 4.12 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 1.22 0.00 0.00 46 L 8.53 3.99 0.00 1.72 1.70 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.13 4.45 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.98 0.00 2.19 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 2.35 2.35 0.00 49 L 8.56 3.94 0.00 1.95 1.77 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.94 4.28 0.00 3.20 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 E 8.88 3.99 0.00 2.24 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 2.39 2.47 0.00 52 E 8.41 4.04 0.00 2.06 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 2.29 2.33 0.00 53 L 8.39 4.28 0.00 1.58 1.68 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.82 5.12 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.56 0.00 1.69 1.72 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.40 7.81 56 N 8.08 4.63 0.00 2.84 2.82 0.00 0.00 7.26 7.78 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 57 G 8.37 4.43 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 0.00 58 D 8.72 4.69 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 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 0.00 0.00 0.00 60 E 7.70 4.67 0.00 1.99 1.94 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 2.26 2.40 0.00 61 V 7.95 4.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.73 0.00 0.00 62 S 8.11 4.51 0.00 4.21 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 63 F 9.06 4.24 0.00 2.29 2.86 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 64 E 8.22 3.86 0.00 2.15 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 2.32 2.54 0.00 65 E 7.74 4.07 0.00 2.14 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 0.00 2.42 2.31 0.00 66 F 8.16 3.93 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 3.62 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.42 0.00 0.00 0.00 0.00 0.00 1.69 2.23 0.00 68 V 7.71 3.32 2.13 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 1.02 0.00 0.00 0.87 0.00 0.00 69 L 8.36 3.85 0.00 1.43 1.13 0.79 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.13 3.71 2.23 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 1.01 0.00 0.00 1.07 0.00 0.00 71 K 7.45 3.90 0.00 1.87 1.76 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 72 K 7.66 3.97 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 I 7.93 3.60 1.53 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.09 -0.01 0.00 0.00 74 S 7.18 4.34 0.00 4.03 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 75 Q 7.75 4.08 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00