NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 60 A 4.3432 8.2644 123.5897 50.9936 21.1032 176.3086 61 F 4.3728 7.8237 117.6738 54.6986 42.3916 172.4036 62 N 4.7694 8.2835 126.6251 51.8365 41.7321 174.4449 63 Q 3.8918 8.5264 128.7838 59.2757 29.3292 178.1487 64 T 3.8848 7.8633 116.5309 66.7162 68.6626 176.3891 65 E 3.9462 8.8738 120.9351 59.1180 29.3358 179.1772 66 F 3.9804 7.9926 120.7400 61.4734 39.3883 176.9750 67 N 4.3618 8.4402 116.0406 56.0837 38.1834 177.6061 68 K 3.8912 8.1145 119.8812 59.3464 32.1381 179.0844 69 L 3.8162 7.7732 120.4141 57.9371 41.9931 178.4119 70 L 3.6766 7.7655 120.6204 58.1404 41.9402 178.6763 71 L 3.8506 8.0007 120.1451 58.1474 41.9894 178.3953 72 E 3.8946 8.3359 119.4272 59.4973 29.4895 178.5352 73 C 4.0694 8.1801 116.6863 63.1483 28.2924 176.7062 74 V 3.6997 7.7139 113.8713 64.1459 31.0696 178.9933 75 V 3.5659 7.9051 118.1991 65.7575 31.3652 177.9354 76 K 3.8966 8.1853 119.5209 59.8689 31.9898 178.8900 77 T 3.8414 8.2990 116.3221 66.6585 68.4012 176.4506 78 Q 3.9731 8.1247 121.4658 59.3046 28.9385 178.3657 79 S 4.1237 8.1407 114.1483 61.4576 62.4484 176.3296 80 S 4.1387 8.3072 118.0888 61.6019 62.5922 176.8603 81 V 3.6310 8.3579 121.2335 65.6888 31.1966 177.8261 82 A 4.1181 8.1986 120.7218 55.2592 18.1748 179.8314 83 K 3.9356 7.8743 116.9818 59.5815 32.0730 179.6723 84 I 3.6824 7.8839 120.1049 64.2594 36.9961 178.0088 85 L 4.1295 8.5705 121.6869 58.2056 41.6470 179.1444 86 G 3.3664 8.1185 104.2186 47.9478 0.0000 175.2520 87 I 3.8418 7.8680 123.0101 64.0117 37.1717 178.4699 88 E 4.0115 8.6345 120.0115 59.3455 29.0705 179.5132 89 S 4.4288 8.2689 113.2103 60.6676 63.1259 175.5202 90 L 4.3787 7.4389 120.6665 53.8560 42.3860 176.7646 91 S 4.1934 7.5618 115.7453 57.5949 63.2840 172.6250 92 P 4.4167 0.0000 0.0000 65.2844 31.0909 177.8521 93 H 4.4758 8.2952 109.9030 57.2481 28.6757 175.8385 94 V 4.4541 7.7945 113.1610 60.9890 32.7861 175.3070 95 S 4.3148 8.1251 117.9118 59.8743 62.9050 175.6809 96 G 3.8807 8.8036 111.9296 45.7636 0.0000 172.7960 97 N 4.6282 8.0323 120.0701 52.5465 38.6968 175.4625 98 S 4.4659 8.4624 120.5836 58.9963 64.0254 176.0509 99 K 3.6531 8.0355 121.9675 58.7067 31.8684 176.9578 100 F 5.0237 7.4322 115.5823 56.9255 39.5772 175.3322 101 E 4.2495 7.8040 122.6531 55.7813 30.9238 176.3763 102 Y 4.1158 8.8284 126.9145 61.0242 38.9570 178.3085 103 A 3.9533 8.1639 120.9690 55.3263 18.5643 179.1506 104 N 4.2590 8.0946 114.3934 56.7711 38.5835 177.4620 105 M 4.0259 8.0255 120.1093 58.2255 32.0170 178.8921 106 V 3.3855 7.7263 118.7093 65.7446 31.5646 177.6534 107 E 3.8625 8.1840 118.9779 59.4896 29.5189 178.6245 108 D 4.3310 7.9453 118.7004 57.2875 40.7860 178.7881 109 I 3.6706 8.0045 120.6233 64.5967 37.0691 178.6988 110 R 3.9104 8.1265 118.8498 59.2138 29.8987 178.9447 111 E 3.9416 8.1873 118.4418 59.2950 29.4966 179.3457 112 K 3.9443 8.0611 119.6032 59.3895 32.2619 179.0100 113 V 3.5899 8.0072 118.6025 66.1394 31.4101 177.8167 114 S 4.1704 8.3060 115.4964 62.0406 62.5417 177.1932 115 S 4.1614 7.7609 114.4908 61.2339 62.6639 175.9361 116 E 4.2078 8.1569 121.9202 59.2580 29.2123 179.0504 117 M 4.2243 8.6635 119.3515 58.5051 31.9014 178.2373 118 E 4.0093 8.3740 118.5853 59.4233 29.7140 178.5690 119 R 3.7963 7.4342 117.7163 58.4864 30.1207 177.4957 120 F 4.5552 7.8641 114.5834 56.6902 41.9191 175.6429 121 F 5.0253 8.2509 116.4806 55.1991 39.1593 173.0659 122 P 4.4715 0.0000 0.0000 62.9367 31.3517 177.1315 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 60 A 8.26 4.34 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 61 F 7.82 4.37 0.00 3.02 2.82 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 0.00 0.00 0.00 62 N 8.28 4.77 0.00 2.69 2.50 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.53 3.89 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 64 T 7.86 3.88 4.39 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 1.20 0.00 0.00 65 E 8.87 3.95 0.00 1.83 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 2.44 2.41 0.00 66 F 7.99 3.98 0.00 2.73 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 67 N 8.44 4.36 0.00 2.98 2.88 0.00 0.00 7.10 7.96 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 68 K 8.11 3.89 0.00 2.00 1.81 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 69 L 7.77 3.82 0.00 1.66 1.60 0.86 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.77 3.68 0.00 1.29 1.65 0.81 0.43 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 71 L 8.00 3.85 0.00 1.86 1.73 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.34 3.89 0.00 2.07 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 2.28 2.33 0.00 73 C 8.18 4.07 0.00 3.08 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 74 V 7.71 3.70 2.07 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 0.83 0.00 0.00 1.00 0.00 0.00 75 V 7.91 3.57 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 0.98 0.00 0.00 0.97 0.00 0.00 76 K 8.19 3.90 0.00 2.04 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 77 T 8.30 3.84 4.28 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 1.21 0.00 0.00 78 Q 8.12 3.97 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 79 S 8.14 4.12 0.00 4.05 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 80 S 8.31 4.14 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 3.63 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 0.96 0.00 0.00 0.96 0.00 0.00 82 A 8.20 4.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 3.94 0.00 1.91 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 84 I 7.88 3.68 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 1.41 0.82 0.92 0.00 0.00 85 L 8.57 4.13 0.00 1.92 2.12 0.99 0.97 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 86 G 8.12 3.37 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 0.00 87 I 7.87 3.84 1.98 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 1.49 0.84 0.90 0.00 0.00 88 E 8.63 4.01 0.00 2.11 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 2.49 2.46 0.00 89 S 8.27 4.43 0.00 4.27 4.30 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 90 L 7.44 4.38 0.00 1.85 1.73 0.87 0.86 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 91 S 7.56 4.19 0.00 3.95 3.67 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 92 P 0.00 4.42 0.00 2.24 2.13 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 93 H 8.30 4.48 0.00 3.26 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.79 4.45 2.17 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 0.44 0.00 0.00 0.88 0.00 0.00 95 S 8.13 4.31 0.00 3.91 3.81 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 96 G 8.80 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.03 4.63 0.00 2.87 3.03 0.00 0.00 6.88 7.64 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 98 S 8.46 4.47 0.00 4.02 4.08 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 99 K 8.04 3.65 0.00 1.38 0.95 0.00 1.47 0.00 0.00 1.24 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.54 1.10 7.81 100 F 7.43 5.02 0.00 3.04 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 0.00 101 E 7.80 4.25 0.00 2.02 1.91 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 2.36 2.37 0.00 102 Y 8.83 4.12 0.00 3.08 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 0.00 103 A 8.16 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.09 4.26 0.00 2.93 2.82 0.00 0.00 7.14 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 0.00 105 M 8.03 4.03 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.65 0.00 106 V 7.73 3.39 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 0.96 0.00 0.00 0.23 0.00 0.00 107 E 8.18 3.86 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 108 D 7.95 4.33 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 0.00 109 I 8.00 3.67 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.64 0.89 0.00 0.00 110 R 8.13 3.91 0.00 2.03 1.97 0.00 3.21 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 111 E 8.19 3.94 0.00 2.21 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 2.32 2.52 0.00 112 K 8.06 3.94 0.00 1.89 2.00 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 113 V 8.01 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 114 S 8.31 4.17 0.00 4.15 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 0.00 115 S 7.76 4.16 0.00 4.04 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 0.00 116 E 8.16 4.21 0.00 2.10 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 2.52 2.54 0.00 117 M 8.66 4.22 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.95 0.00 118 E 8.37 4.01 0.00 2.08 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 2.32 2.38 0.00 119 R 7.43 3.80 0.00 1.75 1.80 0.00 3.11 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.34 0.00 120 F 7.86 4.56 0.00 2.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.25 5.03 0.00 3.04 2.96 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 0.00 0.00 0.00 0.00 122 P 0.00 4.47 0.00 2.17 2.02 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00