NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5587 8.3649 120.1880 54.0956 42.1659 175.3471 3 K 3.9856 8.6434 125.0972 57.1054 32.5989 175.0460 4 I 4.4696 8.1121 120.9861 59.7668 39.0387 175.6712 5 I 3.7891 8.2652 128.8276 61.6771 38.2281 174.7741 6 H 4.9046 8.7956 127.1187 55.1760 30.1177 174.4701 7 L 4.7033 8.4970 126.7276 54.0061 43.3121 176.2680 8 T 4.8934 8.5960 110.0321 59.0514 72.0643 174.5967 9 D 4.5155 8.7437 123.8236 57.1823 40.8690 178.8307 10 D 4.5490 8.0722 116.4966 56.5530 41.7218 177.4422 11 S 4.4575 8.1453 113.3951 59.2381 63.5189 175.6678 12 F 3.8502 8.2793 125.3666 61.5524 38.9544 176.3324 13 D 4.3512 8.1357 117.0570 57.6429 41.0218 178.0300 14 T 3.8283 7.7532 114.5710 66.9690 68.6603 176.0107 15 D 4.3772 8.0161 119.3132 56.0608 41.0044 177.3763 16 V 3.7812 7.2902 116.0573 64.4194 32.8038 177.7850 17 L 4.0250 7.5558 116.2868 56.9633 41.7585 177.9821 18 K 4.3602 7.8744 115.6539 55.8970 32.2350 176.0903 19 A 4.4815 7.2973 121.9714 51.1710 19.9990 177.1060 20 D 4.7027 8.3810 119.7431 53.8114 42.6502 177.7619 21 G 3.9095 8.5896 109.3334 44.5092 0.0000 172.7592 22 A 4.4770 8.1424 120.2458 51.8855 19.7227 176.7792 23 I 4.9687 8.9929 122.9503 59.4581 41.1711 174.1688 24 L 4.8720 9.1319 130.6064 53.9639 43.6432 175.1680 25 V 4.6990 9.2897 127.1523 61.2728 33.9572 173.5910 26 D 5.0916 9.2114 129.0042 52.9893 42.6605 174.8875 27 F 5.3230 9.1563 126.2084 56.1122 40.6850 175.2926 28 W 5.1914 9.1943 120.1428 55.7880 32.3412 173.0508 29 A 3.4506 7.7777 118.7582 50.5435 21.0982 177.4139 30 E 3.9300 8.1559 119.3885 59.1250 29.6236 178.6871 31 W 4.3227 7.4035 113.0240 57.4022 28.8708 177.0415 32 C 4.6403 7.5853 120.8813 55.0513 42.9031 173.8848 33 G 3.5926 8.5555 115.3463 47.6053 0.0000 171.9139 34 P 4.2577 0.0000 0.0000 65.2887 31.1225 179.3841 35 C 4.3224 8.1215 114.6982 60.1456 40.0348 176.2201 36 K 3.9437 7.9516 118.5825 59.5091 31.6614 179.1079 37 M 4.2044 8.1854 119.1306 57.8192 32.1210 177.9732 38 I 4.0406 7.6942 111.3549 61.7980 38.2135 177.5894 39 A 3.8018 7.3767 122.2878 55.0553 18.1940 177.7541 40 P 4.1583 0.0000 0.0000 65.5896 31.3941 178.7780 41 I 3.6572 7.6886 118.1214 64.5417 37.1092 178.0745 42 L 3.9423 8.2004 120.0067 57.9448 41.3901 179.4197 43 D 4.3117 8.0409 118.5825 57.4311 40.7838 178.5866 44 E 3.9574 8.0270 118.7896 59.6233 29.4158 179.5404 45 I 3.8482 7.9588 119.4529 64.3008 36.9230 178.2732 46 A 4.0184 7.8858 120.4229 55.2782 18.6192 179.1296 47 D 4.4404 8.0402 117.2252 57.6854 40.7663 178.6284 48 E 3.9835 8.4843 118.6567 58.8372 29.8215 177.5391 49 Y 4.4485 8.2395 115.0896 56.5437 38.5110 175.4311 50 Q 4.2556 7.3017 118.4246 57.6574 28.9881 177.2444 51 G 4.0575 8.9438 108.4026 45.4915 0.0000 174.1094 52 K 4.4940 7.8718 116.8915 56.7027 34.0821 176.0355 53 L 4.7786 7.6385 118.3192 54.1021 45.2761 174.3966 54 T 4.6176 8.7834 122.1385 61.8306 71.3013 173.3577 55 V 4.7578 8.3215 125.7245 61.5522 33.8161 174.2911 56 A 5.1312 9.0706 127.9445 50.4028 23.2509 174.8012 57 K 5.0009 8.8486 118.1051 54.4190 36.0864 175.2770 58 L 4.7888 8.9573 125.5910 53.2011 45.1105 174.6976 59 N 4.6352 8.7168 125.9921 52.5303 39.6584 175.2118 60 I 4.2093 8.5344 120.8449 62.3028 38.3216 178.1318 61 D 4.5174 8.4242 123.3989 57.3910 40.9746 177.8945 62 Q 4.2132 8.1336 116.0621 57.9126 28.9245 176.0349 63 N 5.0490 8.2546 115.6663 50.5614 39.0744 172.9464 64 P 4.5993 0.0000 0.0000 63.8426 32.2545 178.7034 65 G 3.8169 8.8125 108.2550 47.9246 0.0000 175.6315 66 T 3.9575 8.2038 116.2782 66.5335 69.0511 176.6320 67 A 3.8489 8.4179 122.7506 54.9717 18.3814 177.8267 68 P 4.2757 0.0000 0.0000 65.2043 31.1412 178.7643 69 K 4.0045 7.9040 116.5380 58.2610 31.8188 177.2187 70 Y 4.4613 7.5330 115.4079 56.8790 38.2179 175.6210 71 G 3.9175 7.6600 106.6233 46.5382 0.0000 174.5397 72 I 3.9698 7.7431 119.8626 60.5909 37.8819 176.3168 73 R 4.5202 8.5565 123.6485 56.6745 32.1086 176.1671 74 S 4.7849 7.7199 109.7193 56.5743 66.0141 172.9046 75 I 4.6940 8.0262 114.4020 58.0477 40.1706 173.5787 76 P 4.8671 0.0000 0.0000 62.9925 32.9544 175.1848 77 T 5.0305 8.4008 117.0279 62.1412 72.9047 172.4937 78 L 5.2584 9.1462 126.8991 53.2923 44.0627 175.4147 79 L 4.9938 9.2036 123.7385 52.8310 44.7692 175.1124 80 L 5.0236 8.7356 126.5551 53.6497 43.7239 174.8428 81 F 5.0623 9.3412 126.5392 56.1992 41.0133 175.2221 82 K 4.7004 8.8847 122.7998 54.8011 34.8027 176.3735 83 N 4.2097 9.8517 124.1919 54.5346 36.0314 175.1789 84 G 4.0661 8.4904 101.9963 45.6897 0.0000 172.9612 85 E 4.8467 8.0030 119.0050 53.7680 32.8908 175.5396 86 V 3.2736 8.4254 122.6842 63.1481 32.0773 175.1213 87 A 4.4897 8.9741 129.3737 53.8354 20.1569 176.8899 88 A 4.6766 7.3889 113.6888 51.5868 22.4518 175.5009 89 T 5.2326 8.5887 108.6450 60.0735 72.5596 173.3167 90 K 4.4871 8.6532 121.2019 54.5946 36.2694 175.2861 91 V 4.3970 8.5395 123.8756 62.2262 33.4514 176.3517 92 G 3.9256 9.2519 113.3320 44.6377 0.0000 172.7575 93 A 4.1643 8.0370 121.3541 52.4676 18.8422 176.7189 94 L 4.5388 7.7766 118.3602 53.6490 43.1256 175.5730 95 S 4.5304 9.2413 116.1649 57.2154 65.5548 175.0844 96 K 3.9626 8.6101 122.5232 59.7476 31.8092 178.7037 97 G 3.6645 8.0834 105.3308 48.1104 0.0000 175.5387 98 Q 4.0928 7.9969 120.1267 58.3139 28.6084 178.5313 99 L 3.9941 7.9511 121.5102 57.9698 42.0920 178.8667 100 K 3.9551 8.2587 118.6904 59.6234 32.0502 178.7594 101 E 3.9354 8.1636 119.0984 59.2400 29.3761 178.2210 102 F 4.2031 8.1879 119.3930 61.5755 39.6054 176.8094 103 L 3.7946 8.2165 118.3376 57.9736 41.2444 179.3504 104 D 4.4074 8.2384 117.3748 57.2800 40.8499 178.3324 105 A 4.1915 7.8812 119.3607 53.6966 18.4886 177.4556 106 N 4.7836 8.1259 112.4597 52.2994 40.9488 174.6096 107 L 4.2672 7.8141 122.2747 54.7042 41.9851 176.1229 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 D 8.36 4.56 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.64 3.99 0.00 1.85 1.83 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 4 I 8.11 4.47 1.93 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 1.17 0.46 0.88 0.00 0.00 5 I 8.27 3.79 1.80 0.00 0.00 0.83 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 0.83 0.86 0.00 0.00 6 H 8.80 4.90 0.00 3.19 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.50 4.70 0.00 1.66 1.65 0.81 0.74 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 8 T 8.60 4.89 4.37 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 1.28 0.00 0.00 9 D 8.74 4.52 0.00 2.72 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.55 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.15 4.46 0.00 4.11 4.11 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 0.00 0.00 0.00 0.00 12 F 8.28 3.85 0.00 3.37 3.14 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 13 D 8.14 4.35 0.00 2.88 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 14 T 7.75 3.83 4.21 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 1.18 0.00 0.00 15 D 8.02 4.38 0.00 2.57 2.52 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 16 V 7.29 3.78 0.84 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 -0.37 0.00 0.00 -0.05 0.00 0.00 17 L 7.56 4.02 0.00 2.00 1.78 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.87 4.36 0.00 1.91 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.49 7.81 19 A 7.30 4.48 1.20 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 0.00 0.00 20 D 8.38 4.70 0.00 2.66 2.59 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 21 G 8.59 3.91 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 0.00 0.00 0.00 22 A 8.14 4.48 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 23 I 8.99 4.97 1.86 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 1.06 0.93 0.83 0.00 0.00 24 L 9.13 4.87 0.00 1.75 1.54 1.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.29 4.70 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 26 D 9.21 5.09 0.00 2.71 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 27 F 9.16 5.32 0.00 3.16 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 28 W 9.19 5.19 0.00 3.38 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 29 A 7.78 3.45 0.33 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 30 E 8.16 3.93 0.00 1.91 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 2.30 2.23 0.00 31 W 7.40 4.32 0.00 3.53 3.21 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 32 C 7.59 4.64 0.00 1.94 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 33 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 34 P 0.00 4.26 0.00 2.18 2.14 0.00 3.65 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 2.15 2.22 0.00 35 C 8.12 4.32 0.00 3.25 3.30 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 36 K 7.95 3.94 0.00 1.90 1.89 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.76 7.81 37 M 8.19 4.20 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 38 I 7.69 4.04 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.17 0.94 0.00 0.00 39 A 7.38 3.80 1.15 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 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.16 0.00 2.14 2.08 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 41 I 7.69 3.66 2.03 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 1.63 0.63 0.90 0.00 0.00 42 L 8.20 3.94 0.00 1.73 1.64 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.04 4.31 0.00 2.91 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 44 E 8.03 3.96 0.00 2.25 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 2.34 2.35 0.00 45 I 7.96 3.85 1.99 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 1.62 0.97 0.76 0.00 0.00 46 A 7.89 4.02 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 47 D 8.04 4.44 0.00 2.89 2.73 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 0.00 48 E 8.48 3.98 0.00 2.15 2.18 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 2.15 2.32 0.00 49 Y 8.24 4.45 0.00 3.17 2.94 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 50 Q 7.30 4.26 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 51 G 8.94 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 0.00 0.00 0.00 52 K 7.87 4.49 0.00 2.27 1.98 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.21 7.81 53 L 7.64 4.78 0.00 1.65 1.69 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.78 4.62 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 1.17 0.00 0.00 55 V 8.32 4.76 2.04 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 0.92 0.00 0.00 0.90 0.00 0.00 56 A 9.07 5.13 1.12 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 0.00 0.00 0.00 0.00 0.00 57 K 8.85 5.00 0.00 1.66 1.74 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.21 1.14 7.81 58 L 8.96 4.79 0.00 1.36 0.75 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.72 4.64 0.00 2.54 2.55 0.00 0.00 6.95 7.74 0.00 0.00 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 I 8.53 4.21 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 1.12 0.00 0.00 61 D 8.42 4.52 0.00 2.80 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 62 Q 8.13 4.21 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.22 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 63 N 8.25 5.05 0.00 2.77 2.93 0.00 0.00 6.60 8.84 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 64 P 0.00 4.60 0.00 2.19 2.20 0.00 3.50 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 65 G 8.81 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 66 T 8.20 3.96 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 0.63 0.00 0.00 67 A 8.42 3.85 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 68 P 0.00 4.28 0.00 2.14 2.10 0.00 3.66 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 2.11 2.18 0.00 69 K 7.90 4.00 0.00 1.67 1.42 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.55 7.81 70 Y 7.53 4.46 0.00 2.84 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 71 G 7.66 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 0.00 0.00 0.00 72 I 7.74 3.97 1.77 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 0.79 0.00 0.00 73 R 8.56 4.52 0.00 1.76 1.95 0.00 3.34 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 74 S 7.72 4.78 0.00 3.97 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 75 I 8.03 4.69 2.01 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 1.04 0.00 0.00 76 P 0.00 4.87 0.00 2.15 2.25 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 77 T 8.40 5.03 4.21 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 1.19 0.00 0.00 78 L 9.15 5.26 0.00 1.35 1.58 0.80 0.43 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 79 L 9.20 4.99 0.00 1.94 1.70 0.85 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.74 5.02 0.00 1.95 1.69 0.96 0.44 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 81 F 9.34 5.06 0.00 2.94 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 82 K 8.88 4.70 0.00 1.67 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.35 7.81 83 N 9.85 4.21 0.00 2.85 2.88 0.00 0.00 7.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.49 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 85 E 8.00 4.85 0.00 1.99 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 2.30 2.47 0.00 86 V 8.43 3.27 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 0.60 0.00 0.00 0.38 0.00 0.00 87 A 8.97 4.49 1.21 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 0.00 0.00 88 A 7.39 4.68 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 89 T 8.59 5.23 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 1.19 0.00 0.00 90 K 8.65 4.49 0.00 1.00 1.34 0.00 1.35 0.00 0.00 0.98 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.03 0.21 7.81 91 V 8.54 4.40 2.04 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 0.77 0.00 0.00 0.89 0.00 0.00 92 G 9.25 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 0.00 0.00 0.00 93 A 8.04 4.16 1.24 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 0.00 0.00 94 L 7.78 4.54 0.00 1.87 1.55 0.83 0.55 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 95 S 9.24 4.53 0.00 4.02 4.04 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 96 K 8.61 3.96 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.55 1.55 7.81 97 G 8.08 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 98 Q 8.00 4.09 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 7.95 3.99 0.00 1.89 1.83 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.26 3.96 0.00 2.18 1.97 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.34 7.81 101 E 8.16 3.94 0.00 2.29 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 2.35 2.35 0.00 102 F 8.19 4.20 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 0.00 103 L 8.22 3.79 0.00 1.63 1.41 0.18 1.06 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 0.00 104 D 8.24 4.41 0.00 2.70 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 0.00 105 A 7.88 4.19 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 0.00 106 N 8.13 4.78 0.00 2.38 2.59 0.00 0.00 6.87 7.82 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 0.00 107 L 7.81 4.27 0.00 1.65 1.59 1.00 0.79 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