NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3937 0.0000 0.0000 62.3124 32.1247 174.8989 2 K 4.0557 8.2804 118.5173 56.6560 33.6497 175.9102 3 I 3.5572 7.6769 124.3764 58.8590 39.5629 175.5410 4 K 4.5104 8.4433 124.4195 54.8206 34.0275 175.4679 5 T 4.3777 8.3091 122.9724 62.3366 69.7493 175.5071 6 V 3.7991 7.9867 126.4434 62.8769 28.5824 175.9831 7 R 4.0215 8.5810 124.7765 59.2880 29.8641 177.1527 8 G 3.5009 8.1820 104.8135 48.0457 0.0000 175.3485 9 A 4.1593 8.2578 122.9185 53.8639 18.3761 179.0034 10 A 4.2605 7.4227 115.8101 53.6118 18.4836 178.6038 11 K 4.5657 7.5370 115.9519 55.5939 32.6628 176.9940 12 R 4.4995 7.5521 114.9731 55.3563 29.9696 174.6352 13 F 5.1508 7.8517 115.6020 56.8959 43.2413 174.2205 14 K 4.5877 9.4073 124.4151 55.0748 35.4691 175.9287 15 K 5.0729 9.1973 129.7055 55.8901 33.3871 175.9532 16 T 4.3460 8.1064 113.8341 61.2951 69.6246 174.8120 17 G 4.0205 8.3488 104.3323 44.7505 0.0000 172.2987 18 K 4.0506 7.6426 119.5458 55.3610 34.7667 174.7565 19 G 3.6903 8.9108 110.0154 48.1749 0.0000 174.3100 20 G 3.8909 7.1709 106.8313 46.0677 0.0000 173.6493 21 F 5.0659 8.5312 116.5779 55.3755 40.8887 175.2451 22 K 4.3613 7.9495 113.9998 57.9130 29.9942 173.6218 23 H 5.0598 8.7805 127.2485 54.7930 29.2937 173.0603 24 K 4.7112 8.4562 118.6804 55.0690 34.7426 174.3086 25 H 4.6241 8.5166 116.0695 54.2398 30.9543 173.3447 26 A 4.1105 8.4637 127.5382 52.9398 18.7848 175.3265 27 N 4.3018 9.2887 113.9777 54.3844 36.7137 175.1428 28 L 4.5952 7.0506 117.3712 52.3001 43.0573 173.9217 29 R 5.1370 7.2947 124.8674 56.1482 31.6706 175.1980 30 H 4.7668 7.6446 113.3586 55.5246 28.8196 177.4422 31 I 3.7614 8.8778 131.6394 63.0301 36.8389 175.1000 32 L 4.7866 8.3704 122.4241 54.3400 43.9494 178.3505 33 T 3.8361 8.1453 114.5588 65.0080 67.3451 175.4097 34 K 4.2281 7.8709 117.1871 57.8044 33.3367 177.1795 35 K 4.1124 7.3294 119.5482 55.9694 32.8721 177.3081 36 A 4.2288 8.4031 124.9171 51.8628 20.4368 178.7852 37 T 3.8190 8.5307 114.0369 64.9710 68.5516 176.4802 38 K 3.8570 8.0266 121.8061 59.3791 32.1422 178.4481 39 R 3.9043 8.0478 117.5718 58.9771 30.1372 177.5191 40 K 4.3394 7.9164 117.1199 57.7561 32.7460 178.6095 41 R 3.9805 7.8456 118.4258 59.0010 30.2049 177.0500 42 H 4.4266 7.8269 114.2042 57.5567 29.0558 175.9040 43 L 4.3907 7.5994 117.7559 54.8136 41.6108 177.5892 44 R 4.2083 7.8554 119.4024 57.7213 30.7465 175.6294 45 P 4.3527 0.0000 0.0000 62.6389 31.6734 175.2473 46 K 4.5742 8.4462 118.5246 55.4020 34.6494 175.4542 47 A 4.7446 8.5428 127.4106 50.7040 22.3198 174.7619 48 M 4.8446 8.2573 115.9115 53.8669 33.8592 176.1544 49 V 3.9874 8.5176 112.7502 61.0765 32.6408 176.3047 50 S 4.3552 8.2584 114.6393 56.7630 63.2670 177.3383 51 K 3.4834 8.3616 124.5079 56.8646 34.4311 176.3822 52 G 3.9878 8.2364 110.0732 49.2170 0.0000 174.8059 53 D 4.4522 8.4015 120.7694 56.2534 40.8376 178.1944 54 L 3.9919 7.6989 120.7479 58.6621 41.8189 179.4089 55 G 3.8357 8.1115 103.8777 47.7844 0.0000 174.5829 56 L 4.1610 8.0278 121.7616 57.2415 41.8181 178.9816 57 V 3.5055 7.6343 117.5309 66.4423 31.0856 178.2951 58 I 3.9455 7.6872 117.7761 63.5553 36.9424 177.2802 59 A 4.4211 8.1524 120.5397 53.3904 19.4460 178.7112 60 C 4.2912 7.9241 115.6554 61.6941 29.3713 173.4721 61 L 5.0826 7.5732 119.9521 52.8724 39.6664 174.9070 62 P 4.2550 0.0000 0.0000 66.7184 31.7324 177.8361 63 Y 3.9546 7.3698 115.2010 60.3197 38.3076 175.6065 64 A 4.2694 7.6297 128.6659 52.9114 18.4138 177.1912 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 P 0.00 4.39 0.00 2.07 2.11 0.00 3.66 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 1.93 2.09 0.00 2 K 8.28 4.06 0.00 2.09 1.94 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 I 7.68 3.56 2.18 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 1.02 0.00 0.00 4 K 8.44 4.51 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 5 T 8.31 4.38 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 1.25 0.00 0.00 6 V 7.99 3.80 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 1.04 0.00 0.00 0.97 0.00 0.00 7 R 8.58 4.02 0.00 1.95 1.94 0.00 3.29 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 8 G 8.18 3.50 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 0.00 9 A 8.26 4.16 1.58 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 0.00 0.00 10 A 7.42 4.26 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 11 K 7.54 4.57 0.00 1.84 1.77 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.54 7.81 12 R 7.55 4.50 0.00 1.29 1.66 0.00 3.05 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.36 0.00 13 F 7.85 5.15 0.00 2.79 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.41 4.59 0.00 1.85 1.72 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.59 7.81 15 K 9.20 5.07 0.00 2.01 1.80 0.00 1.60 0.00 0.00 2.38 0.00 0.00 2.66 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 0.95 7.81 16 T 8.11 4.35 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 1.23 0.00 0.00 17 G 8.35 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 0.00 0.00 0.00 18 K 7.64 4.05 0.00 1.77 1.59 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 1.29 7.81 19 G 8.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.17 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 21 F 8.53 5.07 0.00 3.14 3.13 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 0.00 0.00 0.00 0.00 22 K 7.95 4.36 0.00 1.86 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.44 7.81 23 H 8.78 5.06 0.00 3.20 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.46 4.71 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.34 7.81 25 H 8.52 4.62 0.00 3.08 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.46 4.11 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 27 N 9.29 4.30 0.00 2.89 2.96 0.00 0.00 6.65 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 28 L 7.05 4.60 0.00 1.62 1.52 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.29 5.14 0.00 1.90 1.97 0.00 3.01 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 30 H 7.64 4.77 0.00 3.11 2.28 0.00 5.91 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.88 3.76 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.48 0.92 0.00 0.00 32 L 8.37 4.79 0.00 1.65 1.61 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.15 3.84 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 34 K 7.87 4.23 0.00 1.91 1.92 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.46 7.81 35 K 7.33 4.11 0.00 1.99 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.54 7.81 36 A 8.40 4.23 1.28 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 0.00 0.00 37 T 8.53 3.82 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 38 K 8.03 3.86 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.55 7.81 39 R 8.05 3.90 0.00 1.85 2.14 0.00 3.28 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 40 K 7.92 4.34 0.00 1.88 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.61 7.81 41 R 7.85 3.98 0.00 1.89 2.07 0.00 3.29 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 42 H 7.83 4.43 0.00 3.11 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.60 4.39 0.00 1.86 1.69 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.86 4.21 0.00 1.77 1.95 0.00 3.21 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 1.58 1.74 0.00 45 P 0.00 4.35 0.00 2.14 2.04 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.93 0.00 46 K 8.45 4.57 0.00 1.94 1.80 0.00 1.45 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.28 1.46 7.81 47 A 8.54 4.74 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 48 M 8.26 4.84 0.00 2.16 2.26 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 2.50 2.54 0.00 49 V 8.52 3.99 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 0.84 0.00 0.00 1.05 0.00 0.00 50 S 8.26 4.36 0.00 3.96 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 51 K 8.36 3.48 0.00 1.92 1.73 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 52 G 8.24 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 53 D 8.40 4.45 0.00 2.72 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 54 L 7.70 3.99 0.00 1.75 1.87 0.85 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.11 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 0.00 0.00 0.00 56 L 8.03 4.16 0.00 1.92 1.62 0.91 0.49 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 57 V 7.63 3.51 1.73 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 -0.24 0.00 0.00 0.19 0.00 0.00 58 I 7.69 3.95 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 0.95 0.00 0.00 59 A 8.15 4.42 1.28 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 0.00 0.00 60 C 7.92 4.29 0.00 3.05 2.95 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 61 L 7.57 5.08 0.00 1.87 1.77 0.73 0.85 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 62 P 0.00 4.26 0.00 2.03 2.12 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 63 Y 7.37 3.95 0.00 3.09 2.99 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 64 A 7.63 4.27 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00