NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 62 A 4.3198 8.2644 123.5821 52.3897 19.6583 174.8610 63 E 4.4015 7.7636 117.7208 55.3995 33.4424 174.5610 64 P 4.1525 0.0000 0.0000 65.8576 32.5276 177.7324 65 A 4.1355 8.0450 120.1145 53.0812 18.6695 178.0922 66 L 4.1558 7.6171 117.3292 57.0869 42.9486 178.1835 67 R 3.8516 8.2434 118.8492 59.0938 29.8677 178.1732 68 E 3.9121 8.7471 119.7610 59.4111 29.5341 178.5776 69 Q 4.0057 7.3230 117.6777 59.5216 29.2001 177.1892 70 Q 3.9570 8.3864 121.1870 58.6501 28.8664 177.8972 71 L 3.9381 7.9815 119.4506 58.4593 41.9062 179.6549 72 Q 3.9363 8.0904 117.3840 59.2919 28.3316 179.6325 73 Q 4.0174 8.3501 120.4369 59.1452 29.1781 177.5790 74 E 3.9590 8.1883 119.1375 59.6567 29.5028 178.5387 75 L 3.9122 8.1368 120.0919 58.4759 42.2612 178.8947 76 L 4.0445 7.7848 116.8674 56.9352 41.6130 179.3803 77 A 4.1362 7.5057 120.9493 54.4843 18.9879 178.8576 78 L 3.8455 7.9967 119.3375 58.3593 42.0525 178.9277 79 K 3.8077 8.0410 119.1013 59.7562 31.8997 178.2572 80 Q 3.9533 7.3794 117.3047 59.7916 29.1894 177.4420 81 K 3.7627 8.6100 120.5478 59.2078 31.8887 178.1353 82 Q 3.9399 8.4748 117.3309 59.5337 28.9096 179.7088 83 Q 3.9284 8.3207 119.0734 58.8519 29.2092 178.3152 84 I 4.0012 8.4991 121.6210 64.0327 37.5508 177.7709 85 Q 3.9492 8.0548 118.4308 59.4813 28.5703 179.7529 86 R 3.9700 8.2696 118.8433 59.7017 30.1120 179.1741 87 Q 4.0625 8.5805 117.8312 58.5942 28.6391 178.8979 88 I 3.7414 7.5287 120.7554 64.0923 37.3594 177.5413 89 L 3.9369 8.2600 121.6803 58.5096 41.8329 179.2317 90 I 3.7368 7.9141 119.0736 64.4068 37.0420 178.3325 91 A 4.0618 8.1727 121.6349 54.9474 18.1838 179.0383 92 E 3.8715 8.7567 118.2212 59.5382 29.4941 178.7943 93 F 4.0329 8.1423 118.9652 61.4169 39.7996 176.2083 94 Q 4.1656 8.7981 119.4365 59.6208 28.6946 178.8749 95 R 3.8599 8.1910 119.0817 59.7274 29.9626 178.4028 96 Q 3.9866 8.0709 117.0387 57.8952 28.6751 178.5367 97 F 4.1607 7.7819 122.1707 60.6847 39.7713 177.1130 98 E 3.6685 7.9789 118.3564 58.8253 29.4230 177.8973 99 Q 3.8027 8.1102 120.0705 58.9907 29.0034 177.8556 100 L 3.7387 7.4437 120.5592 58.5323 42.1940 179.1269 101 S 3.8617 7.5930 114.6415 61.9406 62.6377 177.1693 102 R 3.9591 8.3058 120.6991 59.6776 29.8373 177.9596 103 Q 4.0814 8.5146 118.6710 57.5212 28.3864 178.4761 104 H 4.1893 8.6771 117.3769 59.3154 29.1937 176.7087 105 E 3.8612 8.1969 120.6600 59.2148 29.1877 178.3134 106 A 3.9724 8.2143 120.5165 55.7354 18.4558 179.3651 107 Q 4.3497 8.1205 116.0052 59.2989 28.7298 179.0001 108 L 4.1920 8.3004 120.0110 58.3500 41.5843 179.5957 109 H 4.2331 8.6641 116.4428 58.3005 28.7641 176.9173 110 E 3.8998 9.0977 122.3023 59.8411 29.3174 178.0091 111 H 3.9669 8.6994 118.1005 59.8918 29.6159 176.7515 112 I 3.7061 7.4093 120.0519 64.4260 37.0749 178.0897 113 K 4.0821 8.3205 120.6445 59.7215 32.1797 178.9889 114 Q 4.0261 8.2878 118.3288 58.4904 28.5325 177.5384 115 Q 4.1973 8.3508 119.3489 57.4409 28.9144 177.4229 116 Q 3.9725 7.6901 120.8300 59.7509 29.1525 177.1115 117 E 3.9366 8.1100 118.8651 60.5544 29.5495 178.1666 118 M 3.9810 8.0265 116.2968 59.4294 31.3024 177.7902 119 L 4.0109 8.0237 119.2560 58.2356 42.0399 178.6022 120 A 4.0942 8.3960 122.2710 54.7338 17.7192 178.9125 121 M 3.4300 9.4882 117.4822 57.8085 32.4041 178.6759 122 K 4.2283 8.2637 117.8086 58.9226 32.9685 176.8433 123 H 4.7531 7.4851 113.5135 54.8995 31.7409 174.5984 124 Q 4.1647 9.0901 118.8011 58.9711 28.9320 177.2478 125 Q 4.2491 7.7854 119.8453 57.3107 29.4060 176.2582 126 E 4.8688 7.7286 119.5903 56.4538 29.5171 177.3840 127 L 4.0397 7.5914 119.2352 58.0836 42.5594 177.1182 128 L 4.1959 7.5504 116.4689 55.8882 42.4654 176.7015 129 E 4.2331 7.6753 123.4588 56.3454 29.5705 175.6805 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 62 A 8.26 4.32 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 63 E 7.76 4.40 0.00 2.02 1.77 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 2.26 2.36 0.00 64 P 0.00 4.15 0.00 2.25 2.29 0.00 3.75 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 2.07 1.96 0.00 65 A 8.05 4.14 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 66 L 7.62 4.16 0.00 1.74 1.78 0.92 0.92 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 67 R 8.24 3.85 0.00 2.03 1.99 0.00 3.37 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 68 E 8.75 3.91 0.00 2.13 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 2.58 2.31 0.00 69 Q 7.32 4.01 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 70 Q 8.39 3.96 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 71 L 7.98 3.94 0.00 1.80 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.09 3.94 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 73 Q 8.35 4.02 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 74 E 8.19 3.96 0.00 2.04 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 2.40 2.45 0.00 75 L 8.14 3.91 0.00 1.89 1.81 0.92 0.83 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 76 L 7.78 4.04 0.00 1.93 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.51 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.85 0.00 1.79 1.70 0.92 0.33 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 79 K 8.04 3.81 0.00 1.87 1.79 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 80 Q 7.38 3.95 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 81 K 8.61 3.76 0.00 1.91 1.90 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 82 Q 8.47 3.94 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 83 Q 8.32 3.93 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 84 I 8.50 4.00 2.03 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 1.52 0.56 0.91 0.00 0.00 85 Q 8.05 3.95 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 86 R 8.27 3.97 0.00 1.91 1.98 0.00 3.11 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 1.64 1.68 0.00 87 Q 8.58 4.06 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 88 I 7.53 3.74 2.05 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 1.53 0.69 0.93 0.00 0.00 89 L 8.26 3.94 0.00 1.71 1.86 0.99 1.03 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 90 I 7.91 3.74 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.75 0.94 0.00 0.00 91 A 8.17 4.06 1.41 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 92 E 8.76 3.87 0.00 2.16 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 0.00 2.53 2.36 0.00 93 F 8.14 4.03 0.00 3.06 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 94 Q 8.80 4.17 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 95 R 8.19 3.86 0.00 1.92 2.09 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 96 Q 8.07 3.99 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 97 F 7.78 4.16 0.00 2.46 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 98 E 7.98 3.67 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 99 Q 8.11 3.80 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 100 L 7.44 3.74 0.00 1.74 1.41 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.59 3.86 0.00 3.62 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 0.00 102 R 8.31 3.96 0.00 1.83 1.90 0.00 3.07 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 103 Q 8.51 4.08 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 104 H 8.68 4.19 0.00 3.16 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.20 3.86 0.00 2.26 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 2.21 2.30 0.00 106 A 8.21 3.97 1.41 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 0.00 107 Q 8.12 4.35 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 108 L 8.30 4.19 0.00 1.91 1.77 0.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.66 4.23 0.00 3.41 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 9.10 3.90 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 111 H 8.70 3.97 0.00 3.18 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.41 3.71 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.86 0.00 0.00 113 K 8.32 4.08 0.00 1.94 1.89 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 114 Q 8.29 4.03 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 115 Q 8.35 4.20 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 116 Q 7.69 3.97 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 117 E 8.11 3.94 0.00 2.04 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 2.40 2.38 0.00 118 M 8.03 3.98 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 119 L 8.02 4.01 0.00 1.82 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.40 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.49 3.43 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 122 K 8.26 4.23 0.00 1.92 2.06 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.65 7.81 123 H 7.49 4.75 0.00 3.07 3.29 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 9.09 4.16 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 125 Q 7.79 4.25 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 126 E 7.73 4.87 0.00 2.02 1.80 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 2.39 2.12 0.00 127 L 7.59 4.04 0.00 1.81 1.74 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.55 4.20 0.00 1.74 1.69 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.68 4.23 0.00 2.28 1.81 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 2.24 2.35 0.00