NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7381 8.4181 114.6905 57.8977 64.1081 175.4223 2 V 3.5178 7.7982 122.4867 63.5463 30.7258 172.6714 3 V 3.5665 8.4779 119.9774 66.0914 31.8431 178.9673 4 E 3.9998 7.4557 115.4282 59.2108 29.1851 179.0738 5 L 4.1265 8.4341 121.0296 58.0325 42.1407 179.3503 6 G 3.6414 8.2241 105.8083 47.7222 0.0000 175.8909 7 K 4.0982 8.1225 121.0314 59.3939 31.9677 179.3886 8 M 4.1099 8.2519 118.9449 58.5220 31.8130 178.7906 9 I 3.5963 7.7520 119.8689 64.3331 37.2488 178.5289 10 I 3.9830 7.7660 121.7733 64.1036 36.7983 178.4863 11 Q 4.0468 7.9635 117.2687 59.1164 28.6334 178.5467 12 E 4.1623 8.3776 118.9212 58.7690 29.7522 178.4192 13 T 4.3880 8.1995 107.8781 60.9945 70.3175 176.0468 14 G 3.8169 8.0538 109.6887 45.7383 0.0000 173.2038 *16 K 4.6325 7.8010 118.0663 56.0723 33.2557 174.9330 17 S 4.6704 8.3467 116.9964 56.8908 64.4239 172.9652 18 P 4.3129 0.0000 0.0000 65.4161 30.8906 175.5072 19 F 5.0096 8.1777 119.9627 55.5169 40.5911 173.1008 20 P 4.1396 0.0000 0.0000 61.5916 31.7177 176.5528 21 S 4.1282 7.2049 115.1545 60.7871 62.5681 174.5218 22 Y 4.9557 8.5881 115.2050 57.3605 39.3947 177.2508 23 T 4.2012 8.0781 110.5474 64.1116 69.2577 176.0170 24 S 4.7920 7.7482 115.7071 57.7558 64.3725 172.7363 25 Y 4.2959 8.4141 123.2177 59.0889 39.5442 175.7795 26 G 3.4463 8.0913 117.3292 46.7854 0.0000 173.0356 27 C 4.4613 8.8645 114.8831 57.9746 35.6015 174.9169 28 F 4.5645 8.8564 116.8785 57.3661 41.2921 174.4917 29 C 4.6943 8.3456 119.5168 58.0504 40.1917 174.5366 30 G 4.6433 8.0560 112.0608 46.0627 0.0000 171.9635 31 G 4.1863 8.2538 103.9657 43.5264 0.0000 173.1717 32 G 4.0992 8.1016 108.2009 44.6451 0.0000 173.8968 33 E 4.6423 8.6115 121.6026 55.9535 31.8938 176.1063 34 R 4.5690 7.6814 117.3417 54.2041 31.7070 176.5961 35 G 4.6085 8.1587 109.8705 45.5325 0.0000 171.1989 36 P 5.1654 0.0000 0.0000 61.4787 32.5615 175.1853 37 P 4.7851 0.0000 0.0000 62.8917 31.7985 176.7471 38 L 3.8934 8.9642 122.2422 57.6726 41.8740 176.3665 39 D 4.5216 7.4054 115.1949 51.6111 41.7683 174.9557 40 A 3.9570 8.8032 119.5988 56.1604 18.1385 179.9672 41 T 3.7865 7.9706 113.6883 66.9037 68.5599 176.2424 42 D 4.5006 9.1377 120.3142 57.4010 41.1820 178.5058 43 R 3.8040 8.2608 119.0465 59.0305 29.9930 178.2957 44 C 4.1933 8.1021 116.5310 60.3318 41.3995 175.5760 45 C 4.2026 7.9109 118.1333 59.6958 40.7898 175.8726 46 L 3.6541 7.8165 121.8164 58.1098 41.6185 179.0096 47 A 3.9390 8.0375 120.6574 55.2156 18.1713 179.1450 48 H 4.0342 7.9980 117.0362 59.2087 29.6787 177.4204 49 S 3.9877 7.9395 114.1587 61.5849 62.6682 175.1656 50 C 4.5957 8.2507 119.2045 60.1392 41.1009 175.2487 51 C 4.2249 8.1485 119.9946 60.0727 44.1747 175.3460 52 Y 4.1710 8.2013 118.1559 61.0850 37.1417 178.2069 53 D 4.5460 7.9183 118.9669 56.6903 40.9174 177.6476 54 T 4.3937 7.6802 108.6228 61.4627 69.8697 174.8112 55 L 4.8287 7.6139 121.2692 53.7100 42.1888 175.7776 56 P 4.2109 0.0000 0.0000 65.5386 32.1103 177.7582 *59 D 4.8773 7.8761 116.2545 53.2762 41.2768 175.3062 *61 C 5.1996 7.5340 116.4777 57.5724 42.0077 173.0902 *67 S 4.8069 8.2211 115.1653 57.5734 62.7111 172.6474 68 P 4.0004 0.0000 0.0000 65.5604 31.3617 179.1093 69 K 4.2231 7.9624 117.7391 58.1662 32.2303 178.0837 70 T 4.4646 7.6212 105.7493 61.0116 70.3967 173.3893 71 D 4.4803 8.2252 123.1223 53.7725 41.2710 175.9435 72 R 4.3711 8.4350 126.2684 56.3356 30.9316 175.2048 73 Y 5.0301 7.7237 117.4439 56.0380 40.5719 173.6833 74 K 5.0238 9.6208 119.9680 54.9969 35.5980 175.0379 75 Y 5.3808 8.2669 119.1989 55.7727 41.5317 173.6590 76 K 4.6952 9.1032 119.1202 54.6882 36.5951 175.1339 77 R 5.0499 8.5022 119.2701 54.6440 32.8260 175.3264 78 E 4.3833 9.4146 126.0760 54.8632 30.8050 175.1764 79 N 3.9866 9.6692 126.8371 54.8174 37.1848 174.9550 80 G 3.9550 8.5188 103.2563 45.2296 0.0000 173.2419 81 E 4.6905 7.7371 120.5409 53.8716 31.8839 174.7402 82 I 4.4859 8.2241 125.6177 61.3588 38.2691 175.3398 83 I 4.4587 9.1078 128.1395 59.5652 39.3380 174.5177 84 C 4.9550 8.7900 125.3302 56.6209 40.9853 173.7993 85 E 4.4076 8.1481 121.0270 55.5793 30.8794 175.7716 86 N 4.9273 8.2043 114.3764 53.1695 40.1379 176.9977 *88 S 4.5401 8.5456 114.2534 58.1843 65.3079 174.1045 89 T 4.7270 7.2519 108.9945 58.7512 73.0049 174.5247 90 S 4.0678 8.5460 115.9834 61.6882 62.4986 177.0371 91 C 4.2248 8.0990 118.6216 60.1006 40.3999 175.9014 92 K 3.8558 7.8914 119.7112 59.3785 31.6536 179.1959 93 K 3.8896 7.8378 119.2228 59.7966 32.3146 179.1956 94 R 3.9429 7.9613 118.1863 58.9267 29.9201 179.2288 95 I 3.6658 8.1681 120.1537 64.5219 37.1862 177.3576 96 C 3.5246 7.7358 119.4093 59.7448 43.8244 175.6028 97 E 3.8901 8.1314 119.8611 59.3803 29.0942 178.7226 98 C 4.3203 8.1105 116.2953 60.2291 41.5351 175.9179 99 D 4.3154 8.2996 120.4180 57.1156 40.3901 178.6124 100 K 3.7176 8.4764 120.3300 59.4332 32.1686 178.5428 101 A 3.9248 7.9914 121.0527 55.1713 18.2931 180.0352 102 V 3.4334 7.6174 117.1040 64.7715 31.5107 178.3264 103 A 3.7820 7.9471 121.6482 54.8881 18.2356 179.8505 104 V 3.5067 7.6775 116.7108 66.1016 31.3246 177.4766 105 C 4.2398 7.9640 117.5892 59.5098 39.7483 175.1803 106 L 3.9452 8.1468 121.0839 57.5804 41.1142 179.4084 107 R 3.8767 7.7733 118.4335 59.4679 29.9006 178.5007 108 K 4.0216 7.9437 117.5693 58.5114 32.3544 176.7098 109 N 5.1731 7.6232 116.1431 52.9034 39.3313 176.7590 110 L 4.1596 8.0437 122.4677 57.7604 41.7706 179.2370 111 N 4.5284 8.2636 114.8383 54.8953 37.2321 175.3384 112 T 4.5376 7.6504 107.1278 60.9875 69.1727 173.3665 113 Y 3.9003 8.0561 124.7552 58.3953 39.1490 174.4470 114 N 4.9840 8.6516 125.9853 51.4273 39.5571 175.3963 115 K 4.2139 8.8873 125.7271 58.3455 32.3386 178.5179 116 K 4.3125 8.0665 116.3406 57.5603 32.9867 176.8403 117 Y 4.7586 7.5375 117.2997 58.3266 39.3574 177.6552 118 T 3.7331 7.2817 117.0004 66.2413 68.7728 174.9629 119 Y 4.7568 7.2570 116.6299 56.9533 38.6189 175.7843 120 Y 3.8902 7.2371 118.7631 56.8515 39.5009 173.7241 121 P 3.6742 0.0000 0.0000 62.2005 31.5866 176.8231 122 N 4.0241 8.3242 122.3982 55.9911 39.0182 175.8098 *124 F 4.8100 7.8973 110.7337 56.2010 39.4000 175.2321 125 W 4.7483 7.6824 120.4649 57.5536 29.3661 175.9491 126 C 4.7365 7.9350 116.8030 55.7621 38.6892 173.0349 127 K 4.0532 8.5059 124.5968 57.5833 32.7048 177.4943 128 G 4.0453 7.8728 105.5420 46.4910 0.0000 172.6236 129 D 4.8653 8.5077 119.3804 53.3198 43.1662 176.1862 130 I 4.4968 8.1652 120.5353 60.7331 37.1442 176.1246 131 E 4.2609 8.7505 127.4158 55.2617 30.2798 177.4970 132 K 4.1287 8.4469 122.3781 56.6479 32.8799 177.7313 133 C 4.4631 8.6085 117.5781 57.4401 41.1770 173.8030 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 S 8.42 4.74 0.00 4.27 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 2 V 7.80 3.52 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 0.80 0.00 0.00 0.99 0.00 0.00 3 V 8.48 3.57 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 1.04 0.00 0.00 0.92 0.00 0.00 4 E 7.46 4.00 0.00 1.77 1.63 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 1.47 2.12 0.00 5 L 8.43 4.13 0.00 2.02 1.90 0.87 1.13 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 6 G 8.22 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.12 4.10 0.00 2.17 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.76 7.81 8 M 8.25 4.11 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 9 I 7.75 3.60 2.01 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 1.79 0.88 0.82 0.00 0.00 10 I 7.77 3.98 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.94 0.00 0.00 11 Q 7.96 4.05 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 12 E 8.38 4.16 0.00 1.94 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 2.45 2.40 0.00 13 T 8.20 4.39 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 1.12 0.00 0.00 14 G 8.05 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 *16 K 7.80 4.63 0.00 2.00 1.69 0.00 1.54 0.00 0.00 1.06 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.28 7.81 17 S 8.35 4.67 0.00 4.08 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 18 P 0.00 4.31 0.00 2.37 2.49 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 19 F 8.18 5.01 0.00 3.07 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 20 P 0.00 4.14 0.00 1.97 0.75 0.00 3.21 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 21 S 7.20 4.13 0.00 3.81 3.25 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 22 Y 8.59 4.96 0.00 3.02 2.88 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 0.00 0.00 0.00 23 T 8.08 4.20 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 24 S 7.75 4.79 0.00 4.12 4.13 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 25 Y 8.41 4.30 0.00 3.10 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 26 G 8.09 3.45 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 0.00 27 C 8.86 4.46 0.00 3.09 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 28 F 8.86 4.56 0.00 3.34 3.07 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 29 C 8.35 4.69 0.00 3.47 3.44 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 30 G 8.06 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.25 4.19 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 0.00 0.00 0.00 32 G 8.10 4.10 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 0.00 0.00 0.00 33 E 8.61 4.64 0.00 1.94 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 0.00 2.26 2.31 0.00 34 R 7.68 4.57 0.00 1.63 1.96 0.00 3.16 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 35 G 8.16 4.61 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 36 P 0.00 5.17 0.00 2.11 2.10 0.00 3.82 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 2.00 1.98 0.00 37 P 0.00 4.79 0.00 2.13 1.85 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 38 L 8.96 3.89 0.00 0.96 0.80 -1.26 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.41 4.52 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.80 3.96 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 41 T 7.97 3.79 4.29 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 0.79 0.00 0.00 42 D 9.14 4.50 0.00 3.02 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 43 R 8.26 3.80 0.00 2.00 1.87 0.00 3.12 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 1.52 1.76 0.00 44 C 8.10 4.19 0.00 3.09 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 45 C 7.91 4.20 0.00 3.19 3.32 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 46 L 7.82 3.65 0.00 0.64 1.45 0.51 0.48 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 47 A 8.04 3.94 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 48 H 8.00 4.03 0.00 3.17 3.32 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.94 3.99 0.00 3.97 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 50 C 8.25 4.60 0.00 3.15 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 51 C 8.15 4.22 0.00 3.15 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 52 Y 8.20 4.17 0.00 3.12 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 53 D 7.92 4.55 0.00 2.99 2.77 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 54 T 7.68 4.39 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 1.31 0.00 0.00 55 L 7.61 4.83 0.00 1.62 1.58 0.82 0.81 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 56 P 0.00 4.21 0.00 2.21 2.31 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 *59 D 7.88 4.88 0.00 2.86 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 *61 C 7.53 5.20 0.00 2.95 3.07 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 *67 S 8.22 4.81 0.00 3.88 3.83 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 68 P 0.00 4.00 0.00 0.53 1.34 0.00 3.68 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 69 K 7.96 4.22 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.47 7.81 70 T 7.62 4.46 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 1.21 0.00 0.00 71 D 8.23 4.48 0.00 2.77 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 72 R 8.44 4.37 0.00 1.85 1.80 0.00 3.40 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 73 Y 7.72 5.03 0.00 3.02 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 74 K 9.62 5.02 0.00 1.75 1.73 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 75 Y 8.27 5.38 0.00 3.10 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 76 K 9.10 4.70 0.00 1.72 1.75 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 77 R 8.50 5.05 0.00 1.68 1.87 0.00 3.43 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 78 E 9.41 4.38 0.00 1.92 1.82 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 2.19 2.21 0.00 79 N 9.67 3.99 0.00 2.88 2.85 0.00 0.00 7.30 7.98 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 80 G 8.52 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 81 E 7.74 4.69 0.00 2.01 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 2.21 2.24 0.00 82 I 8.22 4.49 1.82 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.75 0.00 0.00 83 I 9.11 4.46 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.94 0.00 0.00 84 C 8.79 4.96 0.00 2.96 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 85 E 8.15 4.41 0.00 1.90 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 0.00 2.63 2.32 0.00 86 N 8.20 4.93 0.00 2.79 2.76 0.00 0.00 6.52 7.57 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 *88 S 8.55 4.54 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 89 T 7.25 4.73 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 1.22 0.00 0.00 90 S 8.55 4.07 0.00 3.90 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 91 C 8.10 4.22 0.00 3.00 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 92 K 7.89 3.86 0.00 1.98 1.93 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.28 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.60 7.81 93 K 7.84 3.89 0.00 1.96 1.95 0.00 1.45 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 94 R 7.96 3.94 0.00 1.87 1.93 0.00 3.16 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 95 I 8.17 3.67 1.80 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 1.27 0.96 1.12 0.00 0.00 96 C 7.74 3.52 0.00 1.64 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.13 3.89 0.00 1.98 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 2.47 2.45 0.00 98 C 8.11 4.32 0.00 3.44 3.22 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 99 D 8.30 4.32 0.00 2.92 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 K 8.48 3.72 0.00 1.69 1.96 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 101 A 7.99 3.92 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 0.00 102 V 7.62 3.43 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 0.69 0.00 0.00 0.74 0.00 0.00 103 A 7.95 3.78 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 0.00 104 V 7.68 3.51 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 0.95 0.00 0.00 0.93 0.00 0.00 105 C 7.96 4.24 0.00 3.09 3.17 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 0.00 106 L 8.15 3.95 0.00 1.56 1.30 -0.00 0.38 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 0.00 107 R 7.77 3.88 0.00 1.86 2.07 0.00 3.10 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 1.61 1.75 0.00 108 K 7.94 4.02 0.00 1.76 2.03 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.53 7.81 109 N 7.62 5.17 0.00 2.73 2.78 0.00 0.00 6.85 6.62 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 0.00 110 L 8.04 4.16 0.00 1.74 1.73 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.26 4.53 0.00 2.85 2.97 0.00 0.00 5.80 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 0.00 112 T 7.65 4.54 4.30 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 1.24 0.00 0.00 113 Y 8.06 3.90 0.00 3.11 2.96 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 0.00 114 N 8.65 4.98 0.00 2.59 2.15 0.00 0.00 6.79 6.82 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 0.00 115 K 8.89 4.21 0.00 1.93 1.91 0.00 2.30 0.00 0.00 1.97 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.65 7.81 116 K 8.07 4.31 0.00 1.84 1.83 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 0.70 7.81 117 Y 7.54 4.76 0.00 2.13 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 0.00 0.00 0.00 118 T 7.28 3.73 3.78 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 0.45 0.00 0.00 119 Y 7.26 4.76 0.00 2.88 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 0.00 120 Y 7.24 3.89 0.00 2.95 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 0.00 121 P 0.00 3.67 0.00 0.49 1.11 0.00 2.59 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 122 N 8.32 4.02 0.00 2.72 2.78 0.00 0.00 6.90 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 *124 F 7.90 4.81 0.00 3.16 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 0.00 125 W 7.68 4.75 0.00 2.77 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 0.00 126 C 7.93 4.74 0.00 3.05 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 0.00 127 K 8.51 4.05 0.00 1.78 1.90 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.36 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.42 7.81 128 G 7.87 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 0.00 129 D 8.51 4.87 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.50 1.91 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 1.54 0.51 0.97 0.00 0.00 131 E 8.75 4.26 0.00 1.99 1.89 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 2.53 2.31 0.00 132 K 8.45 4.13 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 C 8.61 4.46 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.