NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4993 8.1727 120.0943 56.2699 34.6196 173.7231 3 K 4.8162 9.5719 125.1911 54.5526 34.1417 173.2583 4 I 4.8579 8.9460 129.1673 59.4682 40.3347 173.8076 5 L 4.9138 8.4847 129.2019 53.6675 43.9475 174.9629 6 I 4.4876 8.4641 128.1579 59.8431 38.9704 175.1415 7 V 4.3891 8.4354 129.2606 61.5732 32.3040 174.5808 8 D 4.7334 8.5893 128.0742 53.1644 44.6412 175.2896 9 D 4.9469 9.0404 124.3405 53.8591 40.3888 176.2350 10 E 4.5981 8.2477 121.2246 54.6826 30.9934 176.2659 11 K 4.1826 8.7467 125.9882 59.1448 32.3168 176.7363 12 P 4.2724 0.0000 0.0000 65.6580 31.3261 178.6658 13 I 3.8507 7.7403 118.1579 64.1862 37.0929 177.9941 14 S 4.1095 8.4042 114.3206 61.8159 62.1289 176.1055 15 D 4.4571 8.4571 121.4335 57.3723 40.4965 178.9780 16 I 3.8280 7.6750 119.9189 64.5094 37.0933 178.5672 17 I 3.8037 8.0323 120.6515 64.1168 36.8668 178.2727 18 K 3.8885 8.3960 120.7973 59.6093 32.0545 178.3381 19 F 4.2096 8.6038 121.0758 61.6528 39.1429 176.9099 20 N 4.1879 8.4457 115.9335 56.5436 38.4041 177.4781 21 M 4.2829 8.4965 120.5519 58.6114 31.9182 178.9669 22 T 4.0681 8.3458 116.4539 66.6424 68.4085 176.8193 23 K 3.7727 7.5408 119.2341 59.1339 32.0768 178.3298 24 E 4.2375 7.6193 116.4960 56.4865 29.6627 177.3968 25 G 3.7989 7.9952 107.9355 45.2573 0.0000 173.1814 26 Y 4.5280 7.4067 116.6583 57.1605 39.0355 174.9742 27 E 4.2596 9.1509 124.5272 55.9921 31.0750 175.2959 28 V 4.8952 8.4472 126.4514 61.2620 33.6780 174.8851 29 V 4.7166 8.7464 120.9498 59.7318 34.8325 174.7571 30 T 5.0697 8.3629 112.2639 60.1974 71.9778 172.8329 31 A 4.6550 8.0837 122.5345 50.9877 22.8362 176.9200 32 F 5.1639 9.6322 117.8320 56.2349 40.4162 175.0698 33 N 4.9916 7.6286 118.3941 50.8761 41.1840 175.2331 34 G 3.5911 8.5557 106.4187 47.7058 0.0000 175.8790 35 R 3.8968 7.9941 120.5015 59.4423 30.2214 178.1982 36 E 3.9976 8.8647 118.4788 59.3414 29.3415 179.2832 37 A 3.9863 8.1405 120.6682 55.3146 18.6095 179.7364 38 L 4.1292 7.8837 117.2396 57.9648 41.6654 179.7404 39 E 4.0221 8.2906 118.6440 59.4158 29.4702 179.3992 40 Q 3.9770 8.4759 118.4535 58.7915 28.9265 178.0905 41 F 4.2319 8.5281 122.2073 61.8261 39.1114 177.2848 42 E 3.3943 7.7502 115.7167 59.1029 29.3591 178.8683 43 A 4.0940 7.8654 119.7544 54.3711 18.6518 178.6379 44 E 4.2709 8.5901 115.1723 55.2906 31.7921 176.1847 45 Q 3.2151 7.6070 116.6063 56.0417 26.5949 171.9766 46 P 4.4936 0.0000 0.0000 62.8301 32.5211 177.1748 47 D 4.6112 8.4936 119.7309 57.0594 41.4607 176.4608 48 I 4.7275 7.4748 116.7511 59.6961 41.9714 173.3240 49 I 4.9729 8.4791 127.3193 59.5790 40.7056 174.3772 50 I 4.5787 8.3143 128.0976 60.0589 38.9477 174.3613 51 L 4.4866 8.2766 131.4504 53.4397 45.2290 175.5801 *53 L 4.2471 8.5412 116.9150 54.7247 44.7754 177.2063 54 M 4.8053 8.0778 117.5763 53.3708 33.1876 174.9257 55 L 5.0088 8.1059 122.8278 52.1546 45.6335 175.8342 56 P 4.1801 0.0000 0.0000 62.9017 31.5289 176.3654 *59 D 4.5381 8.0500 117.2358 52.8544 41.7417 175.1375 60 G 3.7737 8.2938 106.6462 48.2330 0.0000 175.9290 61 L 3.9540 7.8770 120.3835 57.5715 41.7643 178.9198 62 E 3.8959 9.9824 119.7095 59.3101 29.5231 178.9849 63 V 3.4998 7.9999 118.0869 65.9831 31.5876 177.9297 64 A 3.8264 7.9620 120.4783 54.7597 17.9892 179.1580 65 K 3.7242 7.8520 117.5310 60.2129 32.3546 178.6650 66 T 4.0659 7.8638 109.6525 64.4938 68.8543 176.4939 67 I 3.3871 7.6850 122.7546 64.4697 36.9441 178.5701 68 R 4.2474 7.5879 117.8627 58.1478 29.8281 178.6669 69 K 4.0586 7.6339 118.3719 58.8794 32.1365 177.5318 70 T 4.6006 8.0054 105.9302 61.1936 70.2912 173.9543 71 S 4.7021 7.7361 116.1928 56.8367 65.5286 173.4845 72 S 4.7090 8.6306 120.3238 57.9308 63.1186 174.2441 73 V 3.8082 7.5016 121.2244 61.8720 31.5331 174.2953 74 P 4.5622 0.0000 0.0000 63.3499 32.3917 174.9031 75 I 4.8743 8.8599 123.8427 59.3036 40.3772 174.0763 76 L 4.8145 8.8499 129.9353 53.3321 43.9690 174.8959 77 M 4.5387 8.9813 128.0863 55.1636 33.5305 174.8171 78 L 5.4674 7.6948 124.8783 52.0846 44.7573 175.9039 79 S 4.5623 8.1830 115.2107 57.1925 65.1567 175.5357 80 A 4.2674 8.9373 128.8243 54.9990 18.4697 178.5590 81 K 4.2726 8.1037 116.4072 56.7421 32.3214 176.5525 82 D 4.9465 8.6603 122.3846 52.3990 40.3761 176.2492 83 S 4.5700 7.9929 115.2028 57.7042 65.6418 174.2387 84 E 3.7991 8.6057 122.5022 59.6227 29.2935 178.7007 85 F 3.9975 8.1918 119.9674 61.2832 39.3707 176.7022 86 D 4.2475 7.6739 117.7731 57.2300 40.5873 178.9433 87 K 2.5597 7.4489 118.8836 58.9383 31.9186 179.7125 88 V 3.4168 7.6408 118.7077 65.9783 31.4282 177.9604 89 I 3.6215 7.4071 118.5396 63.4964 37.8122 177.9620 90 G 3.7717 8.1921 107.0231 47.9810 0.0000 175.6674 91 L 4.3149 8.0060 123.2987 57.0014 41.3991 179.5316 92 E 4.0619 8.1830 117.6931 58.7964 29.4918 178.3498 93 L 4.3446 7.7534 116.7372 54.6355 41.9211 176.5629 94 G 3.6632 7.8235 107.6114 45.2937 0.0000 174.8425 95 A 3.9691 7.9035 123.7633 53.2535 18.6860 177.9401 96 D 4.6080 8.6718 121.7127 56.4588 41.7836 175.9810 97 D 4.5807 7.6986 115.7245 53.7843 44.8600 174.0111 98 Y 4.9556 8.5139 123.6503 56.5217 41.3340 173.9249 99 V 4.6994 9.0592 127.7434 61.2951 34.5321 174.5665 100 T 5.2764 8.6296 116.5508 60.5868 71.0271 173.6740 101 K 4.9640 8.6980 123.1475 54.2658 33.8296 174.9079 102 P 4.3964 0.0000 0.0000 62.1696 32.3424 175.2326 103 F 4.9019 7.4489 114.3989 55.0041 40.7126 174.9499 104 S 4.6064 8.4776 114.8659 57.0329 63.7361 173.6437 105 N 4.5742 9.0332 127.1086 57.0666 38.4465 177.4936 106 R 4.0005 8.0663 118.5126 59.1364 30.1481 178.6288 107 E 3.9288 8.0892 119.2618 59.0602 29.5949 178.3507 108 L 3.8250 8.0719 120.4297 58.5006 42.0740 179.0383 109 Q 3.9847 8.1765 117.4266 59.0059 28.6681 178.7800 110 A 4.0535 8.1421 121.7778 55.1658 18.2869 179.9654 111 R 3.9018 8.2121 116.7740 59.0473 30.1984 179.1180 112 V 3.4682 7.9815 118.4985 66.0893 31.4096 177.9991 113 K 4.0024 8.1286 118.9088 59.5188 31.9426 178.5869 114 A 4.0037 8.0534 121.1452 54.9292 18.0594 179.5416 115 L 3.9342 7.9566 117.0108 58.0601 41.7784 179.5024 116 L 4.1509 7.7931 117.8055 57.5039 41.6401 178.8822 117 R 4.1438 8.0932 118.3480 58.3652 31.1470 177.5710 118 R 4.4121 7.9427 119.0582 52.4484 28.3214 175.7125 119 S 4.5405 8.0831 116.5391 58.4466 62.9365 176.3017 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 2 K 8.17 4.50 0.00 2.01 1.97 0.00 1.69 0.00 0.00 2.00 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 3 K 9.57 4.82 0.00 1.84 1.68 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 4 I 8.95 4.86 1.74 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.29 0.71 0.00 0.00 5 L 8.48 4.91 0.00 1.78 1.52 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.46 4.49 1.74 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 1.00 0.52 0.79 0.00 0.00 7 V 8.44 4.39 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 0.66 0.00 0.00 0.85 0.00 0.00 8 D 8.59 4.73 0.00 2.66 2.35 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 9 D 9.04 4.95 0.00 2.91 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 10 E 8.25 4.60 0.00 2.16 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 2.27 2.37 0.00 11 K 8.75 4.18 0.00 1.86 1.83 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.63 7.81 12 P 0.00 4.27 0.00 2.22 2.09 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 13 I 7.74 3.85 1.95 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 1.57 1.18 1.16 0.00 0.00 14 S 8.40 4.11 0.00 3.89 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 0.00 15 D 8.46 4.46 0.00 2.81 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 16 I 7.67 3.83 2.10 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 1.54 0.61 1.10 0.00 0.00 17 I 8.03 3.80 1.89 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 1.28 0.93 0.81 0.00 0.00 18 K 8.40 3.89 0.00 1.93 2.10 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.50 7.81 19 F 8.60 4.21 0.00 3.17 3.33 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 20 N 8.45 4.19 0.00 3.01 2.91 0.00 0.00 7.08 7.75 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 21 M 8.50 4.28 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.82 0.00 22 T 8.35 4.07 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 1.20 0.00 0.00 23 K 7.54 3.77 0.00 1.58 1.66 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.07 0.81 7.81 24 E 7.62 4.24 0.00 2.13 1.85 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 2.43 2.56 0.00 25 G 8.00 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 0.00 0.00 0.00 26 Y 7.41 4.53 0.00 3.01 2.84 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 27 E 9.15 4.26 0.00 2.08 1.85 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 2.32 2.28 0.00 28 V 8.45 4.90 2.11 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 0.86 0.00 0.00 0.96 0.00 0.00 29 V 8.75 4.72 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 0.69 0.00 0.00 0.93 0.00 0.00 30 T 8.36 5.07 3.71 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 1.16 0.00 0.00 31 A 8.08 4.66 1.13 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 0.00 0.00 0.00 0.00 0.00 32 F 9.63 5.16 0.00 2.98 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 33 N 7.63 4.99 0.00 2.98 2.96 0.00 0.00 6.09 6.92 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 34 G 8.56 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.99 3.90 0.00 1.91 2.10 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 8.86 4.00 0.00 2.23 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 0.00 2.39 2.52 0.00 37 A 8.14 3.99 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 38 L 7.88 4.13 0.00 1.92 1.82 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.29 4.02 0.00 2.19 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 2.35 2.62 0.00 40 Q 8.48 3.98 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 41 F 8.53 4.23 0.00 3.09 3.39 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 42 E 7.75 3.39 0.00 1.93 1.85 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 2.12 2.13 0.00 43 A 7.87 4.09 1.34 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 44 E 8.59 4.27 0.00 2.03 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 2.26 2.47 0.00 45 Q 7.61 3.22 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 46 P 0.00 4.49 0.00 2.40 2.08 0.00 3.99 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 2.16 2.11 0.00 47 D 8.49 4.61 0.00 2.61 2.79 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 0.00 0.00 0.00 0.00 48 I 7.47 4.73 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.31 0.74 0.00 0.00 49 I 8.48 4.97 1.76 0.00 0.00 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 1.22 0.48 0.85 0.00 0.00 50 I 8.31 4.58 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.61 0.71 0.00 0.00 51 L 8.28 4.49 0.00 1.59 1.38 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 *53 L 8.54 4.25 0.00 1.76 1.68 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.08 4.81 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 55 L 8.11 5.01 0.00 1.57 1.51 0.93 1.09 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 56 P 0.00 4.18 0.00 2.07 2.12 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 *59 D 8.05 4.54 0.00 3.15 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 60 G 8.29 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.88 3.95 0.00 1.96 1.72 0.94 0.85 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 62 E 9.98 3.90 0.00 2.17 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 0.00 2.31 2.36 0.00 63 V 8.00 3.50 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 0.86 0.00 0.00 0.98 0.00 0.00 64 A 7.96 3.83 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 65 K 7.85 3.72 0.00 1.86 2.02 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 66 T 7.86 4.07 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 1.30 0.00 0.00 67 I 7.68 3.39 1.78 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.60 0.32 0.00 0.00 68 R 7.59 4.25 0.00 1.97 1.97 0.00 3.28 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 69 K 7.63 4.06 0.00 1.90 1.91 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 70 T 8.01 4.60 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 1.27 0.00 0.00 71 S 7.74 4.70 0.00 4.14 3.92 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 72 S 8.63 4.71 0.00 4.01 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 73 V 7.50 3.81 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 0.62 0.00 0.00 1.09 0.00 0.00 74 P 0.00 4.56 0.00 2.09 2.21 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 75 I 8.86 4.87 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.77 0.81 0.00 0.00 76 L 8.85 4.81 0.00 1.55 1.39 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.98 4.54 0.00 1.63 1.77 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.07 0.00 78 L 7.69 5.47 0.00 1.37 1.40 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.18 4.56 0.00 3.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.94 4.27 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 81 K 8.10 4.27 0.00 1.96 2.09 0.00 1.74 0.00 0.00 2.05 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.46 7.81 82 D 8.66 4.95 0.00 2.77 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 83 S 7.99 4.57 0.00 4.09 4.06 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 84 E 8.61 3.80 0.00 2.04 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 2.39 2.35 0.00 85 F 8.19 4.00 0.00 3.18 3.03 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 0.00 0.00 0.00 86 D 7.67 4.25 0.00 2.98 2.79 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 0.00 0.00 0.00 0.00 87 K 7.45 2.56 0.00 1.49 1.43 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.92 7.81 88 V 7.64 3.42 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 0.96 0.00 0.00 0.90 0.00 0.00 89 I 7.41 3.62 1.17 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.00 0.72 0.00 0.00 90 G 8.19 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.01 4.31 0.00 1.78 1.71 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.18 4.06 0.00 1.87 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 2.56 2.42 0.00 93 L 7.75 4.34 0.00 1.74 1.67 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.82 3.66 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 0.00 0.00 0.00 95 A 7.90 3.97 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 96 D 8.67 4.61 0.00 2.69 2.71 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 97 D 7.70 4.58 0.00 2.65 2.41 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 98 Y 8.51 4.96 0.00 2.97 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 99 V 9.06 4.70 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 0.98 0.00 0.00 0.89 0.00 0.00 100 T 8.63 5.28 4.40 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 1.42 0.00 0.00 101 K 8.70 4.96 0.00 1.69 1.84 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.47 7.81 102 P 0.00 4.40 0.00 2.02 1.94 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 1.95 1.91 0.00 103 F 7.45 4.90 0.00 3.12 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 0.00 104 S 8.48 4.61 0.00 3.96 3.86 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 0.00 105 N 9.03 4.57 0.00 2.91 3.02 0.00 0.00 7.15 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 0.00 106 R 8.07 4.00 0.00 1.90 2.02 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 107 E 8.09 3.93 0.00 2.03 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 2.33 2.34 0.00 108 L 8.07 3.83 0.00 1.82 1.69 0.15 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.18 3.98 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 110 A 8.14 4.05 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 0.00 111 R 8.21 3.90 0.00 2.04 1.94 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 112 V 7.98 3.47 2.10 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 0.66 0.00 0.00 0.78 0.00 0.00 113 K 8.13 4.00 0.00 1.97 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 114 A 8.05 4.00 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 0.00 115 L 7.96 3.93 0.00 1.74 1.72 0.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.79 4.15 0.00 1.68 1.77 1.05 0.85 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 0.00 117 R 8.09 4.14 0.00 2.04 2.10 0.00 3.24 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 1.65 1.66 0.00 118 R 7.94 4.41 0.00 1.82 1.82 0.00 3.47 0.00 0.00 3.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 119 S 8.08 4.54 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.