NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 M 4.4793 8.3049 118.7906 54.3130 33.7853 176.0571 60 L 4.1423 7.7121 119.0584 54.0611 42.1842 175.6252 61 L 4.2765 9.9882 124.7892 56.4796 43.2575 177.3072 62 I 4.1774 8.0810 119.5925 60.1835 38.2625 176.6375 63 R 4.0939 8.4182 123.7171 56.1685 31.7900 178.3223 64 K 4.2313 8.6014 121.9913 59.3813 32.1236 179.6275 65 L 3.9432 7.8430 120.2081 57.7749 42.2527 176.9546 66 P 4.2381 0.0000 0.0000 65.5360 31.1605 178.3905 67 F 4.0118 8.1912 119.2658 61.2688 39.3806 177.4510 68 S 3.9615 8.4734 114.1801 61.4420 62.8332 176.6680 69 R 3.8599 8.1431 121.7726 58.7564 29.7614 178.7811 70 L 3.8203 7.5011 119.6455 57.8042 41.9897 178.7818 71 A 3.5828 7.6082 121.0055 54.9498 18.1349 179.6431 72 R 3.6967 7.7695 117.2133 59.4317 30.2000 178.2871 73 E 3.9188 7.9915 119.0508 59.3766 29.5790 178.9646 74 I 3.7483 7.6639 119.7976 64.2077 37.0809 177.8156 75 C 4.1978 8.3469 119.8997 62.7802 31.4592 175.9119 76 V 3.6625 8.2304 120.0982 65.8470 30.8284 177.8690 77 K 4.0081 7.9039 118.7093 59.2536 32.0945 178.3893 78 F 4.4485 8.0689 120.0982 61.8412 39.7672 177.0551 79 T 3.6827 8.4291 115.4536 63.9188 68.0485 175.7169 80 R 3.9584 9.2695 118.2054 57.7049 28.0816 176.9155 81 G 4.0922 8.5758 103.8340 45.0869 0.0000 175.1013 82 V 3.5302 7.1522 119.6593 62.5741 31.9133 175.0989 83 D 4.4765 8.4867 126.5456 54.2601 40.6986 175.0481 84 F 4.8358 8.5508 124.6123 55.5959 42.8077 173.7581 85 N 5.3839 8.5591 118.7493 51.1919 40.5289 173.3486 86 W 4.7155 8.6093 117.6275 54.5476 31.9992 176.6682 87 Q 4.2703 8.6008 121.1033 55.5260 30.2612 177.3122 88 A 4.0900 8.7434 125.4204 55.8233 18.4709 180.3622 89 Q 4.0461 8.1810 115.5247 58.6570 28.7913 178.7448 90 A 4.1240 7.9549 121.6323 55.3998 18.6794 179.5948 91 L 4.0624 8.3815 117.5153 57.5428 41.5458 179.7262 92 L 3.8361 8.1317 120.3594 58.0652 42.1573 178.4294 93 A 4.0027 8.0653 120.8299 55.3680 18.1779 179.4204 94 L 3.9681 8.1390 118.3898 58.4096 42.1748 178.9526 95 Q 3.0210 7.9226 119.4727 58.7970 28.8206 177.9045 96 E 3.8533 8.4373 119.7924 59.5168 29.4529 179.3495 97 A 4.0411 8.1401 120.4379 54.8913 18.4181 179.5080 98 A 4.0477 8.4271 119.8016 55.5190 18.4620 179.8005 99 E 3.9709 8.5099 117.1534 59.4463 29.4796 179.4072 100 A 4.0291 8.1030 120.9139 55.0086 18.4519 179.3598 101 F 4.1443 8.5964 119.4195 61.5270 39.4308 177.3983 102 L 3.4974 8.1278 118.4627 57.5214 41.3475 179.4131 103 V 3.7359 8.1224 118.6099 66.6872 31.4383 177.7019 104 H 4.3928 8.4006 117.6325 58.9189 29.5932 177.0021 105 L 3.6735 7.6383 122.5279 57.7551 41.7499 178.8358 106 F 4.3664 8.2254 118.2045 60.5765 38.9368 177.3402 107 E 4.0488 8.5004 118.3061 59.6733 29.4691 179.0568 108 D 4.3451 8.1730 118.5182 57.5981 40.9373 179.0362 109 A 4.1452 8.4890 121.4206 55.1591 18.3638 179.0403 110 Y 4.2032 8.4350 118.3105 60.5789 38.8256 177.7749 111 L 3.9389 7.8995 119.7907 57.7842 41.6683 179.4038 112 L 4.0589 7.4937 117.5057 57.5485 41.0705 179.4650 113 T 3.6566 7.5639 115.8819 66.7007 68.3784 176.5982 114 L 3.9141 7.3863 120.6540 57.9052 41.3287 179.0322 115 H 4.1040 7.9308 117.2359 58.8430 29.8433 176.2519 116 A 4.3092 7.6650 119.9120 51.6609 18.5441 177.6421 117 G 3.7037 7.8497 105.5180 46.1087 0.0000 173.7465 118 R 4.5444 7.7910 117.7640 54.2301 32.6726 176.2960 119 V 4.3774 8.0990 109.4691 61.2765 33.1961 175.8643 120 T 4.5964 7.5048 117.1084 61.1030 70.0928 173.8463 121 L 4.3726 8.6463 128.4407 54.6414 42.9812 175.9617 122 F 5.3598 9.3392 124.7261 55.0873 41.8557 174.9826 123 P 4.3866 0.0000 0.0000 65.5924 30.9748 178.8525 124 K 4.2952 8.1966 119.5409 59.0464 32.1036 178.3095 125 D 4.3892 8.1449 118.7079 57.3546 40.7320 178.9564 126 V 3.6446 7.6877 118.2592 65.9319 31.7270 178.0006 127 Q 4.0083 8.6150 118.2861 58.9369 28.4883 178.6496 128 L 4.0884 8.3896 120.2235 57.7621 41.5601 179.4697 129 A 3.9585 7.8938 120.1818 55.0863 18.2809 179.9408 130 R 3.8353 8.1074 116.5557 59.3372 29.9755 178.9574 131 R 3.8705 7.9697 117.3609 59.8981 30.1135 178.3010 132 I 3.8807 7.7821 117.9769 64.0926 37.0962 178.2464 133 R 4.1731 8.1746 118.8099 58.7393 30.1124 176.9362 134 G 3.5157 7.5004 110.3513 45.6219 0.0000 172.2162 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 59 M 8.30 4.48 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 60 L 7.71 4.14 0.00 1.66 1.56 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.99 4.28 0.00 1.60 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.08 4.18 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 1.05 0.00 0.00 63 R 8.42 4.09 0.00 1.84 1.87 0.00 3.30 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 64 K 8.60 4.23 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.48 7.81 65 L 7.84 3.94 0.00 1.77 1.67 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.24 0.00 2.25 2.11 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 67 F 8.19 4.01 0.00 3.19 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 68 S 8.47 3.96 0.00 4.02 4.27 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 69 R 8.14 3.86 0.00 1.97 1.97 0.00 3.11 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 70 L 7.50 3.82 0.00 1.61 1.47 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.61 3.58 0.71 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 0.00 0.00 72 R 7.77 3.70 0.00 1.88 1.86 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 73 E 7.99 3.92 0.00 2.13 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 0.00 2.28 2.34 0.00 74 I 7.66 3.75 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.88 0.00 0.00 75 C 8.35 4.20 0.00 3.30 3.27 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 76 V 8.23 3.66 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 1.01 0.00 0.00 1.04 0.00 0.00 77 K 7.90 4.01 0.00 1.95 2.03 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 78 F 8.07 4.45 0.00 3.01 3.29 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 0.00 0.00 0.00 0.00 79 T 8.43 3.68 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 80 R 9.27 3.96 0.00 1.86 1.98 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 81 G 8.58 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.15 3.53 2.32 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 0.72 0.00 0.00 1.00 0.00 0.00 83 D 8.49 4.48 0.00 2.59 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.55 4.84 0.00 3.07 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 5.38 0.00 2.88 2.85 0.00 0.00 5.89 8.88 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 86 W 8.61 4.72 0.00 3.28 3.26 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 87 Q 8.60 4.27 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 88 A 8.74 4.09 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 89 Q 8.18 4.05 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 90 A 7.95 4.12 1.61 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 0.00 0.00 91 L 8.38 4.06 0.00 1.94 1.79 0.92 -0.15 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 92 L 8.13 3.84 0.00 1.86 1.82 0.88 1.16 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 93 A 8.07 4.00 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 94 L 8.14 3.97 0.00 2.08 2.01 1.03 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.92 3.02 0.00 1.26 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 96 E 8.44 3.85 0.00 2.18 1.97 0.00 0.00 0.00 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 2.41 0.00 97 A 8.14 4.04 1.39 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 0.00 0.00 98 A 8.43 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 3.97 0.00 1.98 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 2.33 2.37 0.00 100 A 8.10 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.14 0.00 3.15 3.36 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 0.00 102 L 8.13 3.50 0.00 1.94 1.67 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.12 3.74 2.24 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 1.12 0.00 0.00 1.02 0.00 0.00 104 H 8.40 4.39 0.00 3.20 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.64 3.67 0.00 1.09 1.13 0.72 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.23 4.37 0.00 3.23 2.91 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 0.00 107 E 8.50 4.05 0.00 2.20 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 0.00 2.38 2.70 0.00 108 D 8.17 4.35 0.00 2.71 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 0.00 109 A 8.49 4.15 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 0.00 110 Y 8.44 4.20 0.00 3.19 3.04 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 0.00 111 L 7.90 3.94 0.00 1.88 1.67 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.49 4.06 0.00 1.89 1.69 0.91 0.60 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 0.00 113 T 7.56 3.66 3.73 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 0.00 0.00 0.00 1.09 0.00 0.00 114 L 7.39 3.91 0.00 1.50 1.55 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.93 4.10 0.00 3.20 3.47 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.66 4.31 1.25 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 0.00 0.00 0.00 117 G 7.85 3.70 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 0.00 0.00 0.00 118 R 7.79 4.54 0.00 1.56 1.53 0.00 2.21 0.00 0.00 2.90 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.35 0.00 119 V 8.10 4.38 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 0.77 0.00 0.00 0.95 0.00 0.00 120 T 7.50 4.60 4.34 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 0.00 0.00 0.00 1.46 0.00 0.00 121 L 8.65 4.37 0.00 1.77 1.71 1.14 1.08 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 0.00 122 F 9.34 5.36 0.00 3.15 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 0.00 123 P 0.00 4.39 0.00 2.12 2.14 0.00 3.86 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 2.11 2.03 0.00 124 K 8.20 4.30 0.00 1.95 1.94 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.51 7.81 125 D 8.14 4.39 0.00 2.96 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 0.00 126 V 7.69 3.64 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 0.97 0.00 0.00 1.02 0.00 0.00 127 Q 8.61 4.01 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 128 L 8.39 4.09 0.00 1.73 1.72 0.94 0.63 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 0.00 129 A 7.89 3.96 1.32 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 0.00 0.00 0.00 130 R 8.11 3.84 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 131 R 7.97 3.87 0.00 1.83 2.23 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 132 I 7.78 3.88 1.86 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 1.52 0.79 0.90 0.00 0.00 133 R 8.17 4.17 0.00 1.99 2.05 0.00 3.45 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 134 G 7.50 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00