NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.4266 8.2893 118.1868 54.9497 32.7950 175.2879 54 T 4.0182 7.9458 109.8817 60.7423 70.9628 173.9546 55 L 3.9857 8.6112 122.2658 58.0928 42.0690 180.4881 56 D 4.3139 8.0549 117.3195 57.4321 41.1660 177.8211 57 E 3.9313 8.3446 119.7663 59.3080 29.4648 178.7985 58 S 4.1439 8.1243 115.2320 61.9123 62.9367 176.6196 59 C 4.2648 8.2794 119.2833 62.6296 27.8239 176.1395 60 K 3.9071 8.2063 120.1644 59.6875 31.4756 179.1935 61 I 3.7280 7.8555 118.7981 64.2506 37.2085 177.6817 62 L 4.3507 7.7724 116.0644 53.5399 42.8315 175.7075 63 N 4.0925 7.6857 116.1727 54.6597 37.3866 174.3365 64 I 4.2683 8.2309 118.7907 59.7697 39.0348 175.9389 65 E 4.4904 9.3208 126.6561 54.3759 30.1004 176.4855 66 E 3.9553 8.8503 126.4172 59.0994 29.9657 179.1492 67 S 4.1605 8.0811 111.8825 61.0285 63.0272 174.8400 68 K 4.2377 8.0792 118.1538 56.0255 31.7935 176.9895 69 G 3.9253 8.0842 106.5481 46.4542 0.0000 175.0977 70 D 4.4496 7.9908 120.8966 56.1451 41.4613 177.4716 71 L 4.3943 7.6079 122.4965 53.7752 40.4305 175.6029 72 N 5.1003 7.4509 118.7952 50.0985 42.3329 174.9473 73 M 3.9597 8.5549 121.1456 59.0008 32.3000 178.1273 74 D 4.2940 8.0789 117.6413 57.1685 41.4009 178.0128 75 K 3.9496 8.3988 120.1837 59.4320 32.1477 178.7787 76 I 3.7196 8.0190 120.4244 64.5069 37.0996 177.8627 77 N 4.3643 8.3670 117.7982 56.9492 38.8148 176.6393 78 N 4.4709 8.5278 118.0216 56.2646 38.4705 177.7094 79 R 4.0295 8.4474 119.9164 59.1262 30.1168 178.6756 80 F 4.1450 8.6023 120.6982 61.4425 39.3083 176.6891 81 N 4.2105 8.4154 115.9004 56.5657 38.4388 176.7627 82 Y 4.2080 8.0640 120.5246 60.9558 38.7626 178.0961 83 L 3.7491 8.0157 118.6824 57.1711 41.8565 178.9980 84 F 3.7831 8.0861 121.0951 61.1878 39.2056 176.8268 85 E 3.9240 7.8516 119.0644 59.2817 29.2845 178.8750 86 V 3.4792 7.5735 118.2416 65.3428 30.8465 176.6792 87 N 4.7862 7.2215 114.7722 52.6998 38.6718 174.1717 88 D 4.5733 7.7588 119.1543 53.3963 41.6547 177.6952 89 K 4.3685 8.4896 124.2418 59.0892 32.7452 177.3765 90 E 4.4854 8.4924 117.5478 56.2203 31.2011 176.0757 91 K 4.3432 8.7744 116.5228 56.5139 32.5164 177.1621 92 G 4.2436 5.3800 109.8679 45.3972 0.0000 173.4528 93 G 3.7567 7.5421 111.8277 44.2530 0.0000 173.2681 94 S 4.8659 8.4445 116.9534 55.6855 66.2838 175.4432 95 F 4.1618 8.9106 123.0293 61.4203 39.1461 176.5649 96 Y 3.7971 8.1242 118.8302 60.7931 38.6273 178.1559 97 L 4.0128 7.9035 119.2911 57.7396 41.2670 179.4632 98 Q 3.6436 7.8474 118.1024 58.9050 28.5458 179.1257 99 S 4.0315 7.6853 116.1107 61.4105 62.8112 176.7435 100 K 3.8443 7.6210 120.9584 59.4533 31.7677 179.4860 101 V 3.6673 7.7853 118.3553 66.1053 31.3976 177.2653 102 Y 4.3827 8.4669 119.2821 61.2375 38.6758 178.5755 103 R 3.8643 8.8101 118.9448 58.8395 30.0669 178.9817 104 A 4.0360 8.4709 121.9338 54.6569 18.3641 179.5754 105 A 3.9116 8.0044 119.3325 55.0891 18.3909 179.3357 106 E 3.6141 8.0775 118.1261 59.4068 29.6263 179.1383 107 R 3.8877 8.0570 118.6581 59.5116 30.1939 178.5177 108 L 4.1197 8.1353 118.8143 57.5559 41.6493 179.5827 109 K 4.0307 8.4408 119.0340 58.8667 31.9328 179.1833 110 W 4.0820 8.2629 128.9143 60.2874 30.5609 177.4573 111 E 3.9086 8.3388 119.2368 59.5512 29.0479 178.7809 112 L 3.8986 7.9669 118.5474 57.7422 41.3993 179.4958 113 A 3.8521 7.5603 119.7934 55.2202 18.5673 179.4486 114 Q 3.7658 7.7222 116.5283 58.9770 28.4975 179.0564 115 R 3.8719 7.7986 118.3260 59.0905 30.1946 178.1954 116 E 4.1287 7.8106 116.9633 57.2331 29.7462 176.5668 117 K 4.1200 7.7737 122.5776 57.4261 32.7543 175.7648 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 53 M 8.29 4.43 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 54 T 7.95 4.02 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 1.21 0.00 0.00 55 L 8.61 3.99 0.00 1.73 1.78 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.05 4.31 0.00 2.79 2.67 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 57 E 8.34 3.93 0.00 2.09 1.93 0.00 0.00 0.00 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 2.36 0.00 58 S 8.12 4.14 0.00 4.12 4.07 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 59 C 8.28 4.26 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.91 0.00 1.99 1.88 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 61 I 7.86 3.73 2.04 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 1.54 0.57 0.99 0.00 0.00 62 L 7.77 4.35 0.00 1.68 1.76 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.69 4.09 0.00 2.86 2.88 0.00 0.00 7.03 9.20 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 64 I 8.23 4.27 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.95 0.00 0.00 65 E 9.32 4.49 0.00 2.12 1.89 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 2.25 2.22 0.00 66 E 8.85 3.96 0.00 2.00 1.95 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 2.38 2.31 0.00 67 S 8.08 4.16 0.00 4.02 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 68 K 8.08 4.24 0.00 1.89 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 69 G 8.08 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.45 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.39 0.00 1.61 1.61 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.45 5.10 0.00 2.96 2.83 0.00 0.00 5.73 7.66 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 73 M 8.55 3.96 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 74 D 8.08 4.29 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.95 0.00 1.89 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 76 I 8.02 3.72 1.88 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 1.43 0.62 0.92 0.00 0.00 77 N 8.37 4.36 0.00 2.95 2.97 0.00 0.00 7.30 6.54 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 78 N 8.53 4.47 0.00 2.97 2.88 0.00 0.00 7.07 8.33 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 79 R 8.45 4.03 0.00 2.05 2.08 0.00 3.36 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 F 8.60 4.14 0.00 3.19 3.31 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 81 N 8.42 4.21 0.00 3.08 2.95 0.00 0.00 6.74 6.76 0.00 0.00 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 Y 8.06 4.21 0.00 3.09 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 83 L 8.02 3.75 0.00 1.69 1.64 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.09 3.78 0.00 2.40 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.85 3.92 0.00 2.16 1.88 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 2.30 2.36 0.00 86 V 7.57 3.48 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 0.72 0.00 0.00 0.47 0.00 0.00 87 N 7.22 4.79 0.00 2.71 2.58 0.00 0.00 6.55 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.76 4.57 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.49 4.37 0.00 1.91 1.97 0.00 1.23 0.00 0.00 2.61 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 90 E 8.49 4.49 0.00 2.10 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 2.30 2.41 0.00 91 K 8.77 4.34 0.00 1.78 1.42 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.46 7.81 92 G 5.38 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 0.00 0.00 0.00 0.00 93 G 7.54 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.44 4.87 0.00 4.07 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 95 F 8.91 4.16 0.00 3.12 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 96 Y 8.12 3.80 0.00 3.15 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 97 L 7.90 4.01 0.00 1.85 1.64 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.85 3.64 0.00 1.89 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.62 2.35 0.00 99 S 7.69 4.03 0.00 3.54 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.62 3.84 0.00 1.87 1.82 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.30 1.51 7.81 101 V 7.79 3.67 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.97 0.00 0.00 102 Y 8.47 4.38 0.00 3.51 3.24 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 0.00 103 R 8.81 3.86 0.00 1.83 1.96 0.00 3.42 0.00 0.00 3.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 104 A 8.47 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.00 3.91 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 0.00 106 E 8.08 3.61 0.00 1.54 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 107 R 8.06 3.89 0.00 1.98 2.08 0.00 3.20 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 108 L 8.14 4.12 0.00 1.74 1.71 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.44 4.03 0.00 1.81 1.81 0.00 1.54 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 110 W 8.26 4.08 0.00 3.46 3.22 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 0.00 111 E 8.34 3.91 0.00 2.35 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 0.00 2.34 2.41 0.00 112 L 7.97 3.90 0.00 1.84 1.66 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.56 3.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.72 3.77 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 1.57 2.10 0.00 115 R 7.80 3.87 0.00 1.71 1.95 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 116 E 7.81 4.13 0.00 2.02 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 2.27 2.26 0.00 117 K 7.77 4.12 0.00 1.78 1.60 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.24 7.81