NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2968 0.0000 0.0000 63.4332 32.7119 176.5253 17 S 3.4930 8.2086 107.8014 60.0594 62.5805 172.0630 18 R 4.4329 8.1099 120.5029 56.1850 29.0992 175.8944 19 K 4.3748 7.0913 116.1625 55.1625 35.6908 176.7106 20 A 4.3678 7.0673 120.9082 51.5443 21.4423 176.1309 21 K 4.3136 8.0568 121.3439 56.2159 32.3685 178.1006 22 V 3.3734 8.5457 125.2622 65.9652 31.5884 177.9445 23 K 4.1378 7.9629 119.5794 59.5684 32.1653 177.5965 24 A 4.1332 8.1318 121.0702 55.8291 18.8932 178.8554 25 T 4.2153 7.1435 111.5587 61.8205 66.2711 172.3904 26 L 4.3096 6.9005 122.7916 54.8738 45.6432 171.9531 27 G 4.4468 8.3676 108.5733 44.0812 0.0000 173.2200 28 E 4.2180 8.8298 117.2796 56.3070 27.2577 175.8181 29 F 4.9244 7.8315 117.0686 54.5903 40.8477 176.0519 30 D 4.5658 8.4857 122.0761 52.6684 40.1090 176.8195 31 L 4.2722 8.3386 127.4454 57.2727 41.8013 178.7818 32 R 4.0880 8.0184 116.9208 57.4923 30.4451 175.4245 33 D 4.2918 8.2752 118.5677 54.4463 40.8912 174.8718 34 Y 4.6762 7.7858 124.0872 56.9246 38.3212 176.0792 35 R 4.5408 7.3344 117.7708 56.4742 32.5119 175.9297 36 N 4.6267 7.7992 118.3725 54.2809 38.0849 176.5557 37 V 3.4615 7.6154 120.6582 66.2264 32.0120 176.0429 38 E 3.8773 8.0450 116.5914 59.3478 29.5292 178.7648 39 V 3.9013 8.1522 119.3604 63.3990 32.0587 178.2669 40 L 4.1257 7.7949 119.0803 57.6527 41.6793 179.1776 41 K 3.4909 8.3838 119.7593 59.6192 31.7296 178.5210 42 R 3.8803 7.3739 117.1097 58.8282 30.1210 177.8376 43 F 4.4606 9.0754 116.4677 56.8356 39.1842 174.8678 44 L 5.1401 6.8278 118.1376 52.8227 43.6982 178.3610 45 S 4.4832 8.7198 118.3809 58.4637 64.3739 173.7339 46 E 4.3806 8.4156 114.9571 56.3348 29.1995 175.5052 47 T 4.2514 7.0091 112.8845 63.2681 72.3536 174.5147 48 G 3.9456 8.6036 110.9326 45.2245 0.0000 174.1474 49 K 4.5178 7.7641 119.4570 53.9791 34.5854 176.6947 50 I 4.2303 8.4199 126.7981 61.2918 37.3458 176.3407 51 L 4.2204 9.2025 128.3961 54.2347 42.5126 175.7857 52 P 4.5899 0.0000 0.0000 62.2443 32.4957 177.5155 53 R 4.2768 8.6476 116.5347 58.1296 30.2001 178.8142 54 R 4.2378 7.9691 111.5020 57.1569 29.7371 176.9396 55 R 4.5105 7.7696 116.1497 58.2003 34.0665 177.4830 56 T 3.9744 8.7284 108.4801 64.4688 69.6857 174.5136 57 G 3.7714 8.0363 107.3291 45.6762 0.0000 171.6454 58 L 4.9947 7.2418 116.2164 51.7229 46.3773 177.8192 59 S 4.4311 9.3116 115.6674 58.2451 64.8623 175.4000 60 G 3.4067 8.7458 109.7785 48.0786 0.0000 175.9494 61 K 3.9330 7.8964 120.9758 59.3745 32.3620 178.6691 62 E 3.8750 8.9353 119.9343 59.5779 29.5885 179.0328 63 Q 3.8489 8.8318 120.6663 59.2731 28.8773 178.4659 64 R 3.8876 7.9712 119.6179 59.3739 30.0685 178.7011 65 I 3.7030 7.5292 119.1735 64.5522 37.0909 177.4255 66 L 3.7525 8.1048 120.6339 58.2763 41.8214 178.7229 67 A 3.9132 7.9791 119.6142 55.2001 18.2424 179.4682 68 K 3.8188 7.4623 116.4114 60.1277 32.4989 178.5760 69 T 4.0027 8.2478 116.2038 66.7343 68.4236 176.1497 70 I 3.6649 8.0788 121.7230 64.8950 37.2255 178.2511 71 K 3.6842 7.8451 118.2794 59.7422 31.7442 179.5762 72 R 3.7903 8.2097 118.2068 59.1282 29.9000 178.7584 73 A 4.0522 7.9350 120.0672 55.2028 18.3428 179.5862 74 R 4.6285 7.7324 117.6880 58.9973 29.8577 179.0955 75 I 3.8658 7.2536 117.5639 64.7643 37.3140 178.3018 76 L 4.1771 7.8381 118.1502 56.1538 41.3701 178.5697 77 G 4.0332 8.0853 105.8300 45.6071 0.0000 174.1082 78 L 4.3543 8.1377 121.3311 55.3473 42.4809 177.1865 79 L 4.7959 7.5208 117.5581 51.7491 44.4544 174.4207 80 P 5.1417 0.0000 0.0000 62.8845 32.1981 175.6233 81 F 4.5474 8.3646 114.6206 58.2288 41.1483 175.8115 82 T 4.2616 7.5670 109.4972 61.6150 69.7973 171.9234 83 E 4.6600 8.7343 128.1233 54.4069 31.7686 175.5851 84 K 4.1187 8.2636 120.1415 56.0056 32.7721 176.8558 85 L 4.1965 8.3508 125.7094 54.2182 42.1600 176.5202 86 V 4.0470 8.0643 125.8965 63.1746 34.0341 177.5399 87 R 4.0671 8.3611 124.5240 54.3725 25.9723 176.2802 88 K 4.1048 9.1074 128.3345 57.7717 33.2038 173.3640 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 16 P 0.00 4.30 0.00 2.24 2.33 0.00 3.81 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 1.97 1.96 0.00 17 S 8.21 3.49 0.00 4.45 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 18 R 8.11 4.43 0.00 1.91 1.94 0.00 3.27 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 19 K 7.09 4.37 0.00 1.67 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.44 7.81 20 A 7.07 4.37 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 21 K 8.06 4.31 0.00 1.91 1.83 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.54 7.81 22 V 8.55 3.37 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.78 0.00 0.00 23 K 7.96 4.14 0.00 2.08 1.98 0.00 2.06 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.69 7.81 24 A 8.13 4.13 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 25 T 7.14 4.22 4.17 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 1.16 0.00 0.00 26 L 6.90 4.31 0.00 1.77 1.76 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.37 4.45 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 0.00 0.00 0.00 28 E 8.83 4.22 0.00 1.98 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 2.31 2.35 0.00 29 F 7.83 4.92 0.00 3.13 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 30 D 8.49 4.57 0.00 2.78 2.66 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 31 L 8.34 4.27 0.00 1.64 1.74 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.02 4.09 0.00 1.87 2.09 0.00 3.25 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 33 D 8.28 4.29 0.00 2.60 2.64 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 34 Y 7.79 4.68 0.00 3.09 3.08 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 35 R 7.33 4.54 0.00 1.63 1.93 0.00 3.18 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 0.00 36 N 7.80 4.63 0.00 3.25 2.76 0.00 0.00 6.66 7.59 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 37 V 7.62 3.46 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 1.11 0.00 0.00 1.00 0.00 0.00 38 E 8.04 3.88 0.00 2.12 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 0.00 2.27 2.34 0.00 39 V 8.15 3.90 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 0.87 0.00 0.00 0.51 0.00 0.00 40 L 7.79 4.13 0.00 1.75 1.83 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.38 3.49 0.00 1.88 1.81 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.52 7.81 42 R 7.37 3.88 0.00 1.38 1.38 0.00 3.21 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 43 F 9.08 4.46 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 44 L 6.83 5.14 0.00 1.68 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.72 4.48 0.00 3.93 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 46 E 8.42 4.38 0.00 1.96 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 2.28 2.37 0.00 47 T 7.01 4.25 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 1.24 0.00 0.00 48 G 8.60 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.76 4.52 0.00 1.72 1.75 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 50 I 8.42 4.23 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.92 0.00 0.00 51 L 9.20 4.22 0.00 1.71 1.68 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.59 0.00 2.20 2.02 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 8.65 4.28 0.00 1.89 1.99 0.00 3.76 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 54 R 7.97 4.24 0.00 1.93 2.06 0.00 2.99 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 55 R 7.77 4.51 0.00 1.98 1.95 0.00 3.29 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 56 T 8.73 3.97 4.58 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 1.57 0.00 0.00 57 G 8.04 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 58 L 7.24 4.99 0.00 1.64 1.74 0.75 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.31 4.43 0.00 3.98 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 60 G 8.75 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 0.00 0.00 0.00 61 K 7.90 3.93 0.00 1.82 1.78 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 62 E 8.94 3.87 0.00 2.09 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 2.27 2.28 0.00 63 Q 8.83 3.85 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 64 R 7.97 3.89 0.00 2.21 2.05 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.53 3.70 1.96 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 1.39 0.61 0.90 0.00 0.00 66 L 8.10 3.75 0.00 1.49 1.64 0.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.98 3.91 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 68 K 7.46 3.82 0.00 1.79 2.05 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 69 T 8.25 4.00 4.45 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 1.34 0.00 0.00 70 I 8.08 3.66 1.97 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 1.54 0.99 0.85 0.00 0.00 71 K 7.85 3.68 0.00 1.94 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.55 7.81 72 R 8.21 3.79 0.00 2.01 1.65 0.00 3.08 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 73 A 7.93 4.05 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 74 R 7.73 4.63 0.00 1.63 0.66 0.00 2.54 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 75 I 7.25 3.87 2.01 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 1.64 0.53 0.93 0.00 0.00 76 L 7.84 4.18 0.00 1.84 1.82 1.14 1.05 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 77 G 8.09 4.03 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 0.00 0.00 0.00 78 L 8.14 4.35 0.00 1.68 1.77 1.01 1.12 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 79 L 7.52 4.80 0.00 1.63 1.48 0.93 1.03 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 80 P 0.00 5.14 0.00 2.25 2.14 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 81 F 8.36 4.55 0.00 3.06 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 82 T 7.57 4.26 4.32 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 1.27 0.00 0.00 83 E 8.73 4.66 0.00 2.00 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 0.00 2.26 2.42 0.00 84 K 8.26 4.12 0.00 1.75 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.35 4.20 0.00 1.59 1.59 0.92 0.96 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 86 V 8.06 4.05 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 8.36 4.07 0.00 1.93 1.53 0.00 3.57 0.00 0.00 3.15 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 88 K 9.11 4.10 0.00 1.82 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81