NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4586 8.1633 120.3301 54.9804 33.8033 174.7441 2 T 4.2093 7.3258 115.2357 64.2752 68.6636 173.1223 3 G 4.0154 10.2530 116.4536 45.3734 0.0000 173.4966 4 R 4.3503 7.7487 119.0782 55.5787 31.9093 176.0940 5 I 4.6132 8.3204 123.1964 61.4519 37.1697 176.0457 6 V 4.3917 8.4073 119.7621 61.2477 33.2244 175.1848 7 H 5.1012 8.0376 118.8315 56.1685 33.1572 171.9866 8 F 5.5434 7.6112 116.2872 55.3333 42.0157 172.9533 9 E 5.0503 9.4929 118.6989 54.7099 33.8646 174.6999 10 I 4.9363 8.6858 124.8845 58.8758 39.6737 173.5179 11 P 4.9340 0.0000 0.0000 62.3515 32.6639 175.3267 12 F 5.0702 8.3010 115.6335 55.6676 41.1901 175.2712 13 D 4.4844 9.0737 119.0588 55.8321 41.6584 176.7573 14 D 4.8887 7.9435 118.6453 51.5797 43.2873 175.9371 15 G 2.2964 8.4296 114.5612 47.6114 0.0000 173.6309 16 D 4.2718 7.8837 121.1346 56.8352 40.7757 178.7840 17 R 3.8462 8.2702 118.8607 59.3262 30.1489 178.4520 18 A 4.0684 8.0877 120.7554 55.3612 18.4133 179.8414 19 R 4.0241 8.2528 116.7665 59.3528 30.0485 179.1398 20 A 3.9867 8.1403 120.6039 54.9626 18.2627 179.2472 21 F 3.7421 8.4587 119.3626 61.9139 39.4766 177.1209 22 Y 3.7094 8.3107 116.0761 60.6430 37.6396 178.3361 23 R 4.1508 8.2651 119.2151 59.6042 30.0171 178.8718 24 D 4.2247 7.9340 117.1093 56.9692 40.8986 178.3221 25 A 3.5653 7.3454 120.6210 53.5476 18.4793 177.9609 26 F 4.7950 7.1654 111.8056 56.1405 40.8414 175.5750 27 G 4.0165 8.3881 108.3912 45.9997 0.0000 174.0538 28 W 4.7742 8.4522 118.3790 56.7275 30.0435 175.5900 29 A 4.5993 8.8443 125.9911 51.1346 19.6468 176.2332 30 I 5.0535 8.5788 123.0565 59.6936 40.1970 174.9777 31 A 4.7594 9.0575 129.5006 49.8821 21.2160 175.2688 32 E 4.5414 8.8754 122.7741 56.5425 30.5092 175.8903 33 I 4.0392 8.5319 126.8910 62.1673 35.9114 177.9475 *36 M 4.3449 9.0421 130.2470 54.7998 33.9596 174.3733 37 D 4.5099 8.2388 117.5161 54.5983 38.9121 172.7620 38 Y 4.8143 7.5874 116.9853 56.5552 43.1532 173.5922 39 S 5.2057 8.5450 122.1330 56.7914 65.7022 173.1687 40 M 4.7199 9.3411 126.4508 55.4730 33.4704 174.9544 41 V 4.8293 8.8117 125.9361 61.3558 34.7947 174.0075 42 T 4.8076 8.9359 125.1100 62.1876 70.2498 174.9813 43 T 4.1454 8.5867 115.8010 61.5556 70.0803 173.5217 44 G 3.5393 7.3605 107.5245 44.3952 0.0000 170.8283 45 P 4.6182 0.0000 0.0000 62.8555 32.2657 176.4821 46 V 4.8826 8.3446 115.6503 59.7409 35.6950 176.2861 47 G 4.0225 8.6777 112.1612 44.6322 0.0000 174.2295 48 E 4.0283 8.6617 117.8576 59.0681 29.6025 178.7811 49 S 4.0945 7.9808 112.4977 59.6679 63.1631 175.3217 50 G 3.8892 8.2504 108.7579 45.5441 0.0000 172.9722 51 M 4.4856 7.4901 118.8311 52.4070 33.9523 173.8213 52 P 4.7078 0.0000 0.0000 63.6381 31.6437 176.1897 53 D 4.8734 8.6344 120.6577 52.9455 40.0596 175.8545 54 E 4.8315 7.9144 118.8819 53.7687 32.9197 174.0237 55 P 4.2450 0.0000 0.0000 63.7136 32.0761 176.5808 56 G 4.1396 9.7676 107.9232 45.4597 0.0000 172.5921 57 Y 4.9090 6.8712 115.7021 55.3133 40.9349 173.8635 58 I 4.5310 8.1489 113.0236 59.2039 40.6703 174.4298 59 N 4.7513 8.2467 118.9375 52.8109 41.5268 173.0104 60 G 2.3423 7.9335 104.5273 45.6640 0.0000 172.4847 61 G 4.1726 7.7913 106.6392 44.9034 0.0000 171.7593 62 M 5.7430 8.6500 119.8276 52.8091 35.3201 175.0923 63 M 4.8057 7.9678 120.5377 52.9569 37.2671 174.1521 64 Q 3.4430 7.9699 122.0066 55.7069 29.7551 175.9966 65 R 3.7365 8.7791 127.9218 57.7200 30.6456 174.6319 66 G 4.0511 8.8683 121.1127 46.4165 0.0000 173.4717 67 E 3.8468 9.5996 120.1579 58.5696 30.4916 176.1739 68 V 4.0299 7.4369 118.4837 61.2381 32.7078 175.6357 69 T 4.3348 8.3663 116.3193 61.8487 70.4683 173.6815 70 T 4.7749 7.3558 110.2358 58.9733 72.2382 171.7993 71 P 4.6586 0.0000 0.0000 63.4556 32.0687 176.1034 72 V 4.5663 8.8296 121.8492 61.3211 35.2126 174.6818 73 V 4.9855 8.4123 118.9527 60.1182 35.0080 174.6044 74 T 5.0168 8.6620 119.1536 61.8834 71.9296 173.1398 75 V 4.7178 8.8380 127.0450 61.5782 32.9970 174.4597 76 D 5.1700 8.9853 128.5439 54.5433 41.8121 175.3663 77 V 4.5254 8.9731 118.3258 59.4774 35.8318 176.4931 78 E 3.8525 8.9246 123.4703 58.7334 29.9136 177.6663 79 S 4.4908 7.6544 112.9882 55.6501 65.1764 173.9290 80 I 3.6095 8.8112 131.7312 64.5935 36.9599 178.2570 81 E 3.9026 7.9666 118.7187 59.5280 29.3305 179.5333 82 S 4.0378 8.0292 114.8898 61.4539 62.9046 176.5669 83 A 3.8965 8.1882 123.7968 55.1544 18.0502 179.7467 84 L 3.8386 8.2234 117.9361 57.6782 41.6592 179.2144 85 E 3.8571 8.0234 119.2453 59.2408 29.5988 178.9451 86 R 3.7887 8.0017 118.5441 59.4966 30.1123 178.2772 87 I 3.5599 7.9435 119.9949 64.6540 37.1213 178.2445 88 E 4.4359 8.5937 120.8236 58.9341 29.0620 179.6012 89 S 4.2147 7.9516 113.3422 60.7715 63.0609 175.5043 90 L 4.4969 7.4408 120.3071 54.3451 41.6314 177.2032 91 G 3.9465 8.0270 107.5456 44.9461 0.0000 174.0300 92 G 4.2217 8.2495 108.2805 45.0880 0.0000 172.9067 93 K 4.9885 8.7912 117.3752 54.8354 36.8249 176.5015 94 T 4.3664 8.7333 121.2276 64.2060 68.5278 174.3114 95 V 4.1721 8.9589 126.9787 64.7826 32.7645 176.1696 96 T 4.7344 7.8426 115.9471 61.6509 72.6440 174.2505 97 G 4.0658 8.7366 113.2109 45.0918 0.0000 172.6900 98 R 4.2265 8.4990 119.9306 57.4991 30.4720 176.0388 99 T 4.7787 8.9813 122.1400 61.0914 72.7364 171.7284 100 P 4.4987 0.0000 0.0000 62.6983 31.9619 176.0907 101 V 4.3050 8.1245 123.0274 61.8857 34.8525 175.8793 102 G 3.8221 8.5055 115.4068 46.8518 0.0000 172.9905 103 N 4.6569 8.6994 115.4679 53.7522 39.9630 175.3259 104 M 4.5045 7.5541 116.2461 55.1363 34.2503 175.1792 105 G 3.6056 6.6762 103.8258 45.8399 0.0000 172.3358 106 F 5.2612 7.2064 117.5042 55.5356 43.5726 174.0783 107 A 5.3462 9.0223 122.4688 50.6221 22.8807 174.6225 108 A 4.8386 8.1295 119.1666 51.4510 23.5758 174.9011 109 Y 5.3723 8.9347 115.8315 56.5226 42.5431 174.9651 110 F 5.6633 9.1189 117.1185 55.6695 42.4975 173.0161 111 T 5.0828 9.0366 110.2422 59.9935 71.2867 174.9135 112 D 5.1162 8.8219 124.8424 52.5868 41.0284 176.8631 113 S 4.2677 8.7133 112.6951 60.8193 62.8851 174.5446 114 E 4.3891 8.7497 119.4571 55.8285 29.6576 176.7616 115 G 3.9529 8.1877 107.3266 45.3719 0.0000 173.5402 116 N 4.6210 7.9876 117.3748 52.6739 40.0515 174.3861 117 V 4.2328 8.2052 123.1020 62.5822 32.5239 175.2966 118 V 4.3626 8.4161 127.2185 61.0213 35.1796 174.7248 119 G 4.3162 9.0801 113.7760 45.1879 0.0000 172.3884 120 L 5.5947 8.7274 119.7840 52.4979 46.0366 175.6634 121 W 5.4180 9.1917 131.2203 55.5952 34.3696 173.3936 122 E 4.9675 8.0960 127.5198 53.3085 31.7124 175.0091 123 T 4.3351 8.4987 123.8811 63.1879 69.5051 174.3045 124 A 4.3478 8.4874 128.3544 52.0697 19.1011 177.9642 125 R 4.1462 8.3639 120.6476 56.5453 31.3492 175.0300 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 M 8.16 4.46 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 T 7.33 4.21 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 3 G 10.25 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 4 R 7.75 4.35 0.00 1.90 1.86 0.00 3.12 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 5 I 8.32 4.61 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.96 0.00 0.00 6 V 8.41 4.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 7 H 8.04 5.10 0.00 2.96 2.99 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.61 5.54 0.00 3.21 3.02 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 9 E 9.49 5.05 0.00 1.93 1.78 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 0.00 2.15 2.28 0.00 10 I 8.69 4.94 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 1.02 0.00 0.00 11 P 0.00 4.93 0.00 1.97 2.01 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 12 F 8.30 5.07 0.00 3.05 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.07 4.48 0.00 2.74 2.81 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 14 D 7.94 4.89 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.43 2.30 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 0.00 16 D 7.88 4.27 0.00 2.78 2.69 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 17 R 8.27 3.85 0.00 1.87 2.06 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 18 A 8.09 4.07 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 19 R 8.25 4.02 0.00 1.88 2.04 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 20 A 8.14 3.99 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 21 F 8.46 3.74 0.00 3.12 3.10 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 0.00 0.00 0.00 0.00 22 Y 8.31 3.71 0.00 3.13 2.58 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 23 R 8.27 4.15 0.00 1.92 2.01 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 24 D 7.93 4.22 0.00 2.42 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.35 3.57 -0.28 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 26 F 7.17 4.80 0.00 2.65 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 27 G 8.39 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 28 W 8.45 4.77 0.00 3.36 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 29 A 8.84 4.60 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 30 I 8.58 5.05 1.99 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 1.01 0.00 0.00 31 A 9.06 4.76 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 32 E 8.88 4.54 0.00 1.92 1.96 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 2.36 2.38 0.00 33 I 8.53 4.04 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.73 0.91 0.00 0.00 *36 M 9.04 4.34 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 37 D 8.24 4.51 0.00 2.83 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 38 Y 7.59 4.81 0.00 3.26 2.69 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 39 S 8.54 5.21 0.00 3.85 3.80 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 40 M 9.34 4.72 0.00 2.17 2.08 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 2.63 2.50 0.00 41 V 8.81 4.83 1.69 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 0.47 0.00 0.00 0.97 0.00 0.00 42 T 8.94 4.81 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 1.24 0.00 0.00 43 T 8.59 4.15 3.96 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 0.20 0.00 0.00 44 G 7.36 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.62 0.00 2.35 2.01 0.00 3.11 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 46 V 8.34 4.88 2.08 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 0.85 0.00 0.00 0.95 0.00 0.00 47 G 8.68 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 48 E 8.66 4.03 0.00 1.97 2.03 0.00 0.00 0.00 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 2.30 0.00 49 S 7.98 4.09 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 50 G 8.25 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 51 M 7.49 4.49 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 52 P 0.00 4.71 0.00 1.70 1.27 0.00 3.53 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.16 0.00 53 D 8.63 4.87 0.00 2.80 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 54 E 7.91 4.83 0.00 2.25 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 2.29 2.31 0.00 55 P 0.00 4.24 0.00 2.18 2.03 0.00 3.78 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 2.02 1.97 0.00 56 G 9.77 4.14 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 0.00 0.00 0.00 57 Y 6.87 4.91 0.00 3.04 2.90 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 58 I 8.15 4.53 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.93 0.00 0.00 59 N 8.25 4.75 0.00 2.60 2.94 0.00 0.00 6.54 7.76 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 60 G 7.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.79 4.17 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 0.00 0.00 0.00 62 M 8.65 5.74 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 63 M 7.97 4.81 0.00 1.72 1.66 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 64 Q 7.97 3.44 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 65 R 8.78 3.74 0.00 1.91 1.76 0.00 3.39 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 66 G 8.87 4.05 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 0.00 0.00 0.00 67 E 9.60 3.85 0.00 1.87 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 1.84 2.21 0.00 68 V 7.44 4.03 1.90 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 1.02 0.00 0.00 0.50 0.00 0.00 69 T 8.37 4.33 4.20 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 0.00 0.00 0.00 1.21 0.00 0.00 70 T 7.36 4.77 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 1.19 0.00 0.00 71 P 0.00 4.66 0.00 1.99 2.11 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 72 V 8.83 4.57 2.20 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 1.22 0.00 0.00 0.97 0.00 0.00 73 V 8.41 4.99 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 0.79 0.00 0.00 0.97 0.00 0.00 74 T 8.66 5.02 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 75 V 8.84 4.72 2.23 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 1.03 0.00 0.00 1.09 0.00 0.00 76 D 8.99 5.17 0.00 2.97 2.78 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 0.00 0.00 0.00 0.00 77 V 8.97 4.53 2.05 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 0.79 0.00 0.00 0.90 0.00 0.00 78 E 8.92 3.85 0.00 1.89 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 2.27 2.32 0.00 79 S 7.65 4.49 0.00 3.78 3.58 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 80 I 8.81 3.61 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.38 0.85 0.00 0.00 81 E 7.97 3.90 0.00 1.88 1.92 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 2.25 2.23 0.00 82 S 8.03 4.04 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.19 3.90 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 84 L 8.22 3.84 0.00 1.67 1.69 0.92 0.70 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 85 E 8.02 3.86 0.00 2.02 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 2.27 2.29 0.00 86 R 8.00 3.79 0.00 1.97 1.97 0.00 3.12 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 1.57 1.62 0.00 87 I 7.94 3.56 1.81 0.00 0.00 -0.38 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 0.24 0.76 0.00 0.00 88 E 8.59 4.44 0.00 2.11 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 2.34 2.44 0.00 89 S 7.95 4.21 0.00 4.02 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 90 L 7.44 4.50 0.00 1.77 1.72 0.89 1.00 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 91 G 8.03 3.95 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 0.00 0.00 0.00 92 G 8.25 4.22 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 0.00 0.00 0.00 93 K 8.79 4.99 0.00 1.75 1.69 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.46 7.81 94 T 8.73 4.37 4.32 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 1.30 0.00 0.00 95 V 8.96 4.17 2.25 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 0.77 0.00 0.00 0.94 0.00 0.00 96 T 7.84 4.73 4.52 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 1.36 0.00 0.00 97 G 8.74 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 0.00 0.00 0.00 98 R 8.50 4.23 0.00 1.73 1.78 0.00 2.92 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 99 T 8.98 4.78 4.32 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 1.28 0.00 0.00 100 P 0.00 4.50 0.00 1.86 1.79 0.00 3.70 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 2.23 0.00 101 V 8.12 4.31 2.28 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 1.03 0.00 0.00 1.10 0.00 0.00 102 G 8.51 3.82 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 0.00 0.00 0.00 103 N 8.70 4.66 0.00 2.68 2.83 0.00 0.00 6.61 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 0.00 104 M 7.55 4.50 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 105 G 6.68 3.61 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 0.00 106 F 7.21 5.26 0.00 2.55 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.02 5.35 1.27 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 0.00 0.00 108 A 8.13 4.84 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 0.00 109 Y 8.93 5.37 0.00 2.94 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 0.00 110 F 9.12 5.66 0.00 3.28 3.10 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 0.00 0.00 0.00 0.00 111 T 9.04 5.08 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 1.27 0.00 0.00 112 D 8.82 5.12 0.00 3.06 3.06 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 0.00 0.00 0.00 113 S 8.71 4.27 0.00 4.03 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 0.00 114 E 8.75 4.39 0.00 2.24 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 2.29 2.39 0.00 115 G 8.19 3.95 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 0.00 0.00 0.00 116 N 7.99 4.62 0.00 2.82 2.71 0.00 0.00 6.71 7.68 0.00 0.00 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 V 8.21 4.23 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 0.69 0.00 0.00 0.88 0.00 0.00 118 V 8.42 4.36 0.67 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 1.03 0.00 0.00 0.73 0.00 0.00 119 G 9.08 4.32 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 0.00 120 L 8.73 5.59 0.00 1.56 1.55 0.89 0.83 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 0.00 121 W 9.19 5.42 0.00 3.35 2.86 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 0.00 0.00 0.00 122 E 8.10 4.97 0.00 1.85 1.55 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 2.11 2.12 0.00 123 T 8.50 4.34 4.32 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 1.31 0.00 0.00 124 A 8.49 4.35 1.29 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 0.00 0.00 125 R 8.36 4.15 0.00 1.75 1.76 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.