NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9397 8.0544 114.0510 61.5557 32.9139 174.4637 2 H 4.5464 8.5920 121.4431 54.2354 30.0848 172.1017 3 L 4.8108 7.8189 126.9648 52.6424 45.3587 177.0422 4 T 4.1050 8.1809 112.3352 60.7296 70.9451 173.9090 5 P 4.1644 0.0000 0.0000 66.2164 31.3127 178.8009 6 E 3.9819 8.0495 116.5725 59.3259 29.4507 179.1227 7 E 3.9036 8.0537 118.7405 59.1654 29.4888 179.2180 8 K 3.8417 8.2187 120.1764 59.5538 32.2842 179.0353 9 S 4.1019 8.1632 114.3009 61.1042 62.7783 176.3244 10 A 3.9777 7.8891 124.5355 54.9503 18.1545 179.7406 11 V 3.3792 7.7580 116.6117 66.4396 31.6934 178.2959 12 T 3.9219 8.0519 115.2598 66.5958 68.0953 176.4026 13 A 4.0274 7.8335 121.2021 55.1810 18.7413 179.1776 14 L 3.8909 7.8623 118.6173 58.0586 42.2424 178.9444 15 W 4.3385 8.6753 128.4644 60.3662 30.3831 178.0675 16 G 3.7460 8.0529 104.4383 46.9273 0.0000 174.7825 17 K 4.3905 7.6474 118.2951 55.5423 32.8724 176.7178 18 V 3.6661 6.9514 120.4718 62.0434 32.1368 175.6994 19 N 4.5174 8.2757 125.5124 52.2554 38.9000 175.2373 20 V 3.4828 8.1534 128.4335 66.1033 31.6013 177.0418 21 D 4.3663 8.1793 117.8495 57.6238 40.8104 178.6779 22 E 3.8852 8.1705 118.1130 59.5298 29.5065 179.7387 23 V 3.6069 7.8951 118.4893 65.6297 31.4493 178.2407 24 G 3.7126 8.4691 106.1250 47.8640 0.0000 175.9056 25 G 3.6005 7.8739 108.1909 47.3247 0.0000 175.6991 26 E 3.9141 8.1126 120.5157 59.0169 29.5410 179.1928 27 A 3.9191 8.2552 121.1551 55.1764 18.4901 179.4534 28 L 3.9897 8.1561 119.0878 58.0992 42.2230 179.3275 29 G 3.5574 8.1049 105.6404 48.0581 0.0000 175.9551 30 R 3.9049 8.2326 121.1856 58.4453 29.9919 178.8770 31 L 4.0080 7.9774 120.3163 58.3436 42.0418 179.1946 32 L 4.0797 7.8643 119.8722 56.5554 41.2128 179.6008 33 V 3.5847 7.1848 117.5667 65.6296 31.7790 177.9475 34 V 3.5228 7.7422 117.0318 64.3466 32.7022 175.5445 35 Y 3.8019 7.2738 116.6835 53.9466 37.8823 174.0141 36 P 4.6542 0.0000 0.0000 64.5675 31.7236 178.4395 37 W 4.2754 8.0767 116.4536 59.4741 28.0536 177.9240 38 T 4.1820 7.7280 110.4878 64.2030 68.1135 176.0581 39 Q 4.4443 8.3625 121.6444 58.0555 28.4279 178.2336 40 R 3.7762 7.5621 116.6257 58.6465 29.2383 177.7751 41 F 4.4078 7.0615 116.1241 57.1843 39.4417 175.5794 42 F 4.6158 7.8611 118.4163 56.6989 39.9788 177.0427 43 E 3.9769 8.5656 122.7296 59.4975 29.3711 178.3662 44 S 4.6384 8.0558 110.3677 58.6495 63.3504 174.5433 45 F 4.6032 8.4793 119.6125 58.0863 39.7520 175.7007 46 G 3.9486 8.1804 105.4050 43.9774 0.0000 172.7440 47 D 4.5141 8.6123 122.5114 54.3120 41.5109 176.5064 48 L 4.8559 8.3919 124.6094 54.2572 43.3243 177.5387 49 S 4.2763 8.1827 115.6796 60.7633 63.1777 174.8683 50 T 4.7339 7.4269 109.4176 58.0497 73.0129 172.6612 51 P 4.2045 0.0000 0.0000 66.0929 31.2860 178.6956 52 D 4.3014 8.0502 116.7141 57.1079 40.5572 178.4524 53 A 3.9488 7.6024 119.7963 55.1566 18.7772 179.3972 54 V 3.6899 8.1038 116.9711 66.6973 31.3966 178.1947 55 M 4.1908 8.1979 117.2192 57.8505 31.8701 178.0804 56 G 3.9883 7.8983 102.9335 43.5177 0.0000 173.1215 57 N 4.4940 7.5250 121.4995 52.3780 39.4932 174.0724 58 P 4.2633 0.0000 0.0000 65.9080 31.4225 178.7383 59 K 3.6957 8.2903 118.4015 58.7748 31.7673 179.5542 60 V 3.7095 7.7734 118.2382 65.9546 31.6018 178.0602 61 K 3.9396 8.0962 117.9954 59.3483 31.9743 179.1704 62 A 3.9556 8.2628 121.4026 55.4168 18.3280 179.2320 63 H 4.3450 8.4162 116.8578 59.3428 30.0256 177.3744 64 G 3.8178 8.5321 108.0957 48.0724 0.0000 175.4120 65 K 4.0143 8.0589 121.9565 58.9124 32.2238 179.0583 66 K 4.0012 7.8761 118.3309 59.4571 32.0079 179.3727 67 V 3.6454 8.1841 118.6899 66.2871 31.5103 178.1647 68 L 4.3490 8.2998 118.7319 57.5882 41.5230 179.7256 69 G 3.7696 8.4907 105.8624 47.8143 0.0000 175.6859 70 A 4.1519 7.9961 122.2148 54.6764 18.7112 179.0882 71 F 4.3359 8.6816 119.4144 61.7842 39.5463 177.3217 72 S 4.0915 8.9675 114.9575 62.0102 62.8331 176.4839 73 D 4.4806 8.2084 121.1465 57.4908 40.5261 179.2746 74 G 3.5666 7.9733 105.9320 47.5088 0.0000 175.7309 75 L 3.7656 7.1827 120.1388 57.3201 41.5879 178.7642 76 A 4.1210 7.4533 118.5563 53.4319 19.2897 176.8222 77 H 4.8601 8.2980 115.5347 54.5401 29.7840 175.3742 78 L 4.0253 7.9720 120.0103 57.8217 41.8919 178.9463 79 D 4.4952 7.9042 116.5629 56.1098 41.8682 176.1602 80 N 5.0077 8.3037 118.0897 51.2689 39.4766 174.5735 81 L 4.0513 7.9192 123.6670 57.8125 42.1641 179.2052 82 K 4.0192 8.1014 116.6771 59.6772 32.2230 179.1064 83 G 3.7017 8.1692 105.1722 48.0142 0.0000 175.5608 84 T 3.6552 7.7470 117.2370 65.9453 68.7031 175.7882 85 F 4.6383 8.0624 117.0599 57.2211 39.1527 177.4622 86 A 4.0828 7.6901 123.5668 55.6527 18.1511 180.4714 87 T 3.8154 7.8223 113.5079 66.9383 68.5982 176.9031 88 L 4.1386 7.9804 120.3213 57.5459 41.6627 179.3684 89 S 4.4009 8.4497 115.0937 61.0718 62.3737 176.1095 90 E 3.9093 8.2315 121.2383 59.1204 29.1581 179.0845 91 L 3.9000 8.0014 120.3496 58.7095 42.1759 178.9336 92 H 4.1838 8.6140 116.2313 58.8865 28.2855 177.1433 93 C 3.5293 7.8757 120.8692 62.1843 31.1287 175.3492 94 D 4.3660 8.3112 120.6392 56.7556 40.6139 177.6834 95 K 4.2230 7.6954 116.5700 57.8835 33.1878 177.6300 96 L 4.1496 7.7896 116.9133 54.9974 42.1975 176.2741 97 H 4.1459 7.2034 113.1851 56.6295 26.5772 175.1669 98 V 3.6666 7.8756 118.8548 61.0647 32.2655 174.8756 99 D 4.3525 8.7659 127.2264 53.9516 41.5813 175.1839 100 P 3.0758 0.0000 0.0000 64.1671 31.8020 177.9028 101 E 3.8566 8.2040 119.3975 59.2560 29.2651 178.3736 102 N 4.3132 7.9663 116.5462 56.1730 38.4782 177.2907 103 F 4.4763 7.4598 119.3494 60.5236 38.9207 177.9593 104 R 3.9676 7.8267 117.3218 59.1794 29.9457 178.8481 105 L 3.8214 7.8397 118.7783 57.6807 41.6183 179.3026 106 L 4.0571 8.2257 120.4981 58.0164 42.0049 179.0422 107 G 3.7430 8.1577 105.6574 48.1570 0.0000 175.3898 108 N 4.4304 8.2241 119.1853 55.9154 38.5132 177.7737 109 V 3.6402 8.0957 119.8537 65.8362 31.5774 177.7249 110 L 3.8620 8.4665 120.5137 58.1264 41.8773 179.1368 111 V 3.5556 7.7942 118.0653 66.2362 31.4313 177.6602 112 C 4.0633 8.0837 116.4349 62.8984 27.9236 176.4042 113 V 3.5051 7.8078 119.7586 65.8888 31.0808 178.1164 114 L 3.8735 7.8042 118.5568 57.6394 41.3605 179.3628 115 A 3.7483 7.2921 120.6227 55.1914 18.0661 179.1695 116 H 4.0751 8.0341 115.8865 59.6422 30.0265 176.7817 117 H 3.9070 8.2062 119.1330 58.9331 29.8488 176.6512 118 F 4.5067 8.6149 118.6387 57.2420 39.4994 177.1549 119 G 3.9595 8.8341 108.4535 46.0177 0.0000 177.2406 120 K 4.0225 8.8835 121.8396 59.4377 32.5044 178.2785 121 E 4.1153 7.9241 118.7534 58.8412 29.8221 177.5218 122 F 4.5356 8.2126 123.4466 57.0280 37.8354 175.1001 123 T 4.2323 7.3481 116.0772 60.0185 71.3970 173.5708 124 P 4.1664 0.0000 0.0000 65.5949 31.4133 177.2239 125 P 4.1956 0.0000 0.0000 65.3531 31.2521 178.9256 126 V 3.5330 7.4002 117.1809 65.8075 31.4377 177.7000 127 Q 3.5127 7.8494 119.4814 59.1583 28.8626 178.2179 128 A 4.0294 8.1201 121.4741 55.2184 18.4345 179.5434 129 A 3.8902 7.9092 118.7942 55.6062 18.4142 179.5660 130 Y 3.8900 8.2459 115.2578 61.1804 37.9073 178.7357 131 Q 4.1213 8.8379 119.5493 58.8764 28.7913 178.9093 132 K 4.0053 7.9831 119.2073 59.2427 32.0364 179.6313 133 V 3.4993 7.5751 118.3078 65.9643 31.4858 178.4550 134 V 3.8624 8.2021 118.9757 64.9677 31.0819 178.1773 135 A 4.1123 8.2117 121.5966 54.5939 18.1001 179.8597 136 G 3.4908 8.0398 104.3688 47.9169 0.0000 176.1445 137 V 3.2959 8.1875 121.2462 65.5002 31.6484 177.9312 138 A 3.8640 8.0859 120.5562 55.2873 17.7688 179.4084 139 N 4.3183 8.4603 114.9651 56.2106 38.3535 177.5109 140 A 4.0248 7.9872 121.7205 55.3089 18.6930 179.5266 141 L 3.9243 7.9720 117.2578 57.1487 41.6081 178.7832 142 A 4.3553 7.9327 119.2822 53.1230 18.6607 178.5091 143 H 4.0920 7.8274 116.6848 58.9154 29.9884 175.9756 144 K 4.4859 8.3877 116.2624 56.2647 31.9865 176.2815 145 Y 4.1997 8.0163 117.6378 58.4628 38.4125 175.6902 146 H 4.4391 8.4982 117.5490 56.2289 28.1831 173.3549 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 V 8.05 3.94 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 0.83 0.00 0.00 0.86 0.00 0.00 2 H 8.59 4.55 0.00 3.14 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.82 4.81 0.00 1.53 1.42 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.18 4.11 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 1.16 0.00 0.00 5 P 0.00 4.16 0.00 2.15 2.14 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 E 8.05 3.98 0.00 1.95 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 2.38 2.33 0.00 7 E 8.05 3.90 0.00 2.08 1.91 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 2.28 2.26 0.00 8 K 8.22 3.84 0.00 1.70 1.75 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.52 7.81 9 S 8.16 4.10 0.00 4.10 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 10 A 7.89 3.98 1.42 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 0.00 0.00 0.00 11 V 7.76 3.38 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 0.59 0.00 0.00 0.42 0.00 0.00 12 T 8.05 3.92 4.33 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 1.24 0.00 0.00 13 A 7.83 4.03 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 14 L 7.86 3.89 0.00 1.99 1.92 0.69 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.68 4.34 0.00 3.86 3.23 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 0.00 0.00 0.00 0.00 16 G 8.05 3.75 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 0.00 0.00 0.00 17 K 7.65 4.39 0.00 1.93 2.05 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 18 V 6.95 3.67 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 -0.04 0.00 0.00 0.65 0.00 0.00 19 N 8.28 4.52 0.00 2.72 2.60 0.00 0.00 6.83 7.71 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 20 V 8.15 3.48 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 1.22 0.00 0.00 1.00 0.00 0.00 21 D 8.18 4.37 0.00 2.91 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 22 E 8.17 3.89 0.00 2.13 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 0.00 2.28 2.26 0.00 23 V 7.90 3.61 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 0.94 0.00 0.00 0.68 0.00 0.00 24 G 8.47 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 0.00 0.00 0.00 0.00 25 G 7.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.91 0.00 2.21 1.95 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 2.28 2.42 0.00 27 A 8.26 3.92 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 28 L 8.16 3.99 0.00 1.75 1.64 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.10 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.90 0.00 1.86 1.92 0.00 3.07 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 31 L 7.98 4.01 0.00 1.88 1.88 1.00 0.52 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 32 L 7.86 4.08 0.00 1.99 1.66 0.96 0.46 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 33 V 7.18 3.58 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 0.71 0.00 0.00 0.93 0.00 0.00 34 V 7.74 3.52 1.58 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 -0.05 0.00 0.00 0.73 0.00 0.00 35 Y 7.27 3.80 0.00 2.64 1.43 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 0.00 0.00 0.00 0.00 36 P 0.00 4.65 0.00 2.31 2.29 0.00 3.65 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 2.21 1.90 0.00 37 W 8.08 4.28 0.00 3.55 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 38 T 7.73 4.18 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 1.11 0.00 0.00 39 Q 8.36 4.44 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 40 R 7.56 3.78 0.00 1.66 1.96 0.00 3.00 0.00 0.00 2.64 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 41 F 7.06 4.41 0.00 1.90 2.39 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 F 7.86 4.62 0.00 2.82 2.14 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 43 E 8.57 3.98 0.00 1.95 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 2.26 2.23 0.00 44 S 8.06 4.64 0.00 4.11 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 45 F 8.48 4.60 0.00 3.20 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 46 G 8.18 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 47 D 8.61 4.51 0.00 2.65 2.61 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 48 L 8.39 4.86 0.00 1.66 1.63 1.05 1.02 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 49 S 8.18 4.28 0.00 4.01 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 50 T 7.43 4.73 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.14 2.11 0.00 3.58 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 2.09 2.15 0.00 52 D 8.05 4.30 0.00 2.67 2.70 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 53 A 7.60 3.95 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 54 V 8.10 3.69 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 1.01 0.00 0.00 0.97 0.00 0.00 55 M 8.20 4.19 0.00 1.98 2.12 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 2.87 0.00 56 G 7.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.52 4.49 0.00 2.94 2.86 0.00 0.00 6.92 8.26 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 58 P 0.00 4.26 0.00 2.24 2.25 0.00 3.71 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 2.00 2.01 0.00 59 K 8.29 3.70 0.00 1.49 0.74 0.00 1.55 0.00 0.00 1.33 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 1.23 7.81 60 V 7.77 3.71 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 1.03 0.00 0.00 61 K 8.10 3.94 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.64 7.81 62 A 8.26 3.96 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 63 H 8.42 4.35 0.00 3.65 3.54 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.53 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 65 K 8.06 4.01 0.00 1.97 2.05 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 66 K 7.88 4.00 0.00 2.14 1.89 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 67 V 8.18 3.65 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 1.16 0.00 0.00 0.90 0.00 0.00 68 L 8.30 4.35 0.00 2.01 1.90 1.16 0.80 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 69 G 8.49 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 70 A 8.00 4.15 1.54 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 71 F 8.68 4.34 0.00 3.29 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 72 S 8.97 4.09 0.00 4.28 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 73 D 8.21 4.48 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 74 G 7.97 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.18 3.77 0.00 1.48 1.43 0.32 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.45 4.12 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 77 H 8.30 4.86 0.00 3.04 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.97 4.03 0.00 1.50 1.66 0.78 1.02 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 79 D 7.90 4.50 0.00 2.63 2.70 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 80 N 8.30 5.01 0.00 2.67 2.59 0.00 0.00 7.03 6.27 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 81 L 7.92 4.05 0.00 1.75 1.80 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.10 4.02 0.00 1.65 1.83 0.00 1.56 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 1.47 7.81 83 G 8.17 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 84 T 7.75 3.66 3.94 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 0.45 0.00 0.00 85 F 8.06 4.64 0.00 3.05 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 86 A 7.69 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.82 3.82 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 88 L 7.98 4.14 0.00 2.01 1.88 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.45 4.40 0.00 4.12 4.12 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 90 E 8.23 3.91 0.00 2.26 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 2.30 2.47 0.00 91 L 8.00 3.90 0.00 1.85 1.90 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.61 4.18 0.00 3.61 3.78 0.00 5.86 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 93 C 7.88 3.53 0.00 1.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.31 4.37 0.00 2.68 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 95 K 7.70 4.22 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 96 L 7.79 4.15 0.00 1.70 1.62 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.20 4.15 0.00 3.46 3.45 0.00 5.64 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.88 3.67 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 0.05 0.00 0.00 0.37 0.00 0.00 99 D 8.77 4.35 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 0.00 100 P 0.00 3.08 0.00 1.94 1.76 0.00 3.40 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.44 0.00 101 E 8.20 3.86 0.00 2.03 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 0.00 2.32 2.39 0.00 102 N 7.97 4.31 0.00 2.51 2.72 0.00 0.00 6.92 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 0.00 103 F 7.46 4.48 0.00 3.10 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 0.00 104 R 7.83 3.97 0.00 2.01 1.97 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.84 3.82 0.00 1.73 1.40 0.71 -0.11 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 0.00 106 L 8.23 4.06 0.00 1.81 1.73 0.93 1.02 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 0.00 107 G 8.16 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.22 4.43 0.00 2.92 2.95 0.00 0.00 6.72 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 0.00 109 V 8.10 3.64 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 1.14 0.00 0.00 1.15 0.00 0.00 110 L 8.47 3.86 0.00 1.69 1.81 0.89 0.45 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 0.00 111 V 7.79 3.56 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 1.31 0.00 0.00 1.18 0.00 0.00 112 C 8.08 4.06 0.00 3.19 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 0.00 113 V 7.81 3.51 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 0.98 0.00 0.00 0.97 0.00 0.00 114 L 7.80 3.87 0.00 0.90 1.10 0.56 0.81 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 0.00 115 A 7.29 3.75 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 0.00 116 H 8.03 4.08 0.00 3.15 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.21 3.91 0.00 2.88 2.88 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.61 4.51 0.00 3.30 3.16 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 0.00 0.00 0.00 0.00 119 G 8.83 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 0.00 0.00 0.00 0.00 120 K 8.88 4.02 0.00 1.90 2.01 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.59 7.81 121 E 7.92 4.12 0.00 2.10 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 2.44 2.62 0.00 122 F 8.21 4.54 0.00 3.02 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 0.00 123 T 7.35 4.23 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 1.28 0.00 0.00 124 P 0.00 4.17 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.40 3.53 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 0.99 0.00 0.00 0.90 0.00 0.00 127 Q 7.85 3.51 0.00 1.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 128 A 8.12 4.03 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 0.00 129 A 7.91 3.89 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 0.00 130 Y 8.25 3.89 0.00 3.44 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 0.00 131 Q 8.84 4.12 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 132 K 7.98 4.01 0.00 1.94 1.83 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.66 7.81 133 V 7.58 3.50 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 0.87 0.00 0.00 0.71 0.00 0.00 134 V 8.20 3.86 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 0.90 0.00 0.00 1.15 0.00 0.00 135 A 8.21 4.11 1.44 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 0.00 0.00 136 G 8.04 3.49 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 0.00 0.00 0.00 137 V 8.19 3.30 2.09 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 0.64 0.00 0.00 0.66 0.00 0.00 138 A 8.09 3.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.46 4.32 0.00 2.87 2.88 0.00 0.00 6.91 7.91 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 0.00 140 A 7.99 4.02 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 0.00 141 L 7.97 3.92 0.00 1.10 0.47 0.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.93 4.36 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 0.00 143 H 7.83 4.09 0.00 3.35 3.55 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.39 4.49 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.71 7.81 145 Y 8.02 4.20 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.50 4.44 0.00 3.22 3.22 0.00 5.75 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