NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Q 4.2866 8.3449 119.1188 54.3508 30.0210 175.0746 2 F 4.6989 7.8824 118.2759 55.3454 40.7069 174.1253 3 Q 4.1609 9.3998 126.5590 57.9011 29.3302 173.6337 4 K 4.8683 8.0578 119.4992 50.9753 35.6896 177.0540 5 P 4.4269 0.0000 0.0000 66.1280 30.8765 178.9725 6 G 3.8230 8.0540 106.2290 47.1600 0.0000 175.1644 7 D 4.3475 8.1585 120.7849 57.0902 40.7885 178.6196 8 A 2.5800 7.6286 120.7365 54.6559 18.3274 179.6115 9 I 3.4735 7.3805 117.7587 64.6263 37.2206 178.5739 10 E 3.8669 8.2415 119.6045 59.3109 29.1193 178.8556 11 Y 3.9721 8.0019 119.8179 60.6645 38.8673 178.3857 12 R 3.7199 8.0749 117.1371 59.2493 29.5129 178.5665 13 Q 4.1860 8.1629 118.9061 58.9369 28.7841 179.1992 14 S 4.0743 8.1529 115.6801 61.5692 62.7886 176.6851 15 A 3.8340 7.8814 123.4855 55.1212 17.9894 179.6466 16 F 4.3590 8.1521 116.4107 61.0619 38.9540 177.9758 17 T 3.9508 8.2501 115.3946 66.7718 68.3049 176.7027 18 L 4.0811 8.0477 120.7941 57.6967 41.6028 179.4914 19 I 3.8051 8.2172 119.9529 64.5469 37.0658 178.2961 20 A 4.2001 8.5049 121.8527 55.1046 18.1490 179.2487 21 N 4.2376 8.2600 115.5189 57.3804 38.9832 176.9974 22 H 4.2364 8.3958 117.6206 58.6385 28.7269 177.5971 23 F 4.4065 8.9895 123.2877 61.2863 39.1762 177.4221 24 G 3.5952 8.5296 105.5457 47.7708 0.0000 175.9230 25 R 3.9161 7.7538 119.9671 58.9866 30.0319 179.3158 26 V 3.5510 7.5080 117.9152 65.9169 31.5376 177.8532 27 A 3.7309 7.8885 120.6821 55.0922 18.0160 179.4353 28 A 3.9323 8.1084 119.2551 55.5735 18.4472 179.8357 29 M 4.3973 8.1483 118.3588 58.0704 31.8546 178.8520 30 A 3.7760 7.9454 119.9649 54.8649 18.6130 178.9015 31 Q 4.3078 8.2136 114.2061 55.7798 29.0777 176.6606 32 G 3.9632 7.9560 108.0169 46.4434 0.0000 175.0531 33 K 4.2131 8.3129 120.3241 57.1038 32.4534 177.1750 34 A 4.7791 7.6065 120.7035 49.1862 22.1652 173.5534 35 P 4.4451 0.0000 0.0000 62.3908 32.0604 176.2554 36 F 4.5151 8.7199 124.1902 58.1179 40.1364 174.7951 37 D 4.2887 7.9783 125.4613 51.5461 43.6879 175.6710 38 A 3.5316 7.8429 129.9362 54.6666 18.4455 178.9232 39 K 3.7937 7.8129 117.7461 59.6665 32.3936 179.1406 40 V 3.6890 8.0514 118.2692 65.8515 31.4087 177.6141 41 A 3.9699 8.2774 120.7689 55.2999 18.1197 179.4524 42 A 3.9740 8.2215 119.3052 55.2992 18.4582 179.7057 43 E 3.8972 8.2855 117.0372 59.7773 29.5014 179.4530 44 N 4.4417 8.3801 116.5275 56.2862 38.5111 177.6430 45 I 3.7553 8.3104 121.5844 64.2570 37.1895 178.2624 46 A 4.0040 8.3313 121.9455 55.1175 18.1024 179.7535 47 L 3.9003 7.8964 117.4019 57.8904 41.6665 179.7908 48 V 3.6399 8.0463 118.3951 66.0314 31.2232 177.9522 49 S 4.0032 8.1810 111.9969 61.6633 62.4184 175.9044 50 T 4.0115 7.9328 118.2628 66.8790 68.2526 176.7243 51 L 4.0234 8.3077 121.2496 57.5414 41.3770 179.6135 52 S 4.3839 8.1355 113.5130 60.7912 62.9412 175.7857 53 K 4.2830 7.5984 120.2373 57.0604 32.4225 177.9089 54 L 4.5795 7.8671 120.4203 56.2869 42.4774 177.0593 55 P 4.2777 0.0000 0.0000 65.4966 31.3560 177.6134 56 L 4.7147 7.9417 116.4963 55.9728 41.7878 177.2484 57 T 4.3661 7.9587 107.8934 62.3255 69.1772 174.9400 58 A 4.7524 8.1350 125.2932 52.2784 19.4784 176.3853 59 F 5.0615 7.6842 115.4668 57.6446 39.9784 175.9474 60 G 4.0651 8.0917 109.8845 43.9900 0.0000 171.4523 61 P 4.3748 0.0000 0.0000 64.3420 31.0108 176.9044 62 G 3.7675 8.6153 108.9357 46.0858 0.0000 173.7316 63 T 4.9435 7.4600 109.1742 61.6478 69.0917 175.8506 64 D 4.4957 7.3487 120.6149 54.2424 39.9819 175.2198 65 K 4.4847 7.4977 118.0476 55.6488 35.6959 175.5460 66 G 3.9758 8.8209 105.0506 46.0786 0.0000 172.9000 67 H 4.4768 7.6901 116.9152 54.6956 32.5710 173.1385 68 G 3.7799 8.0638 112.0940 46.3698 0.0000 172.8997 69 T 4.6733 8.1141 115.3810 60.9597 70.3666 173.0264 70 E 4.5292 8.7752 124.9736 55.8985 30.1074 175.3800 71 A 4.4060 8.0182 123.7744 51.8843 19.0279 178.4802 72 K 4.3969 8.9718 123.4863 55.3828 33.1789 176.5334 73 P 4.5800 0.0000 0.0000 66.0312 31.1018 178.7367 74 A 4.2562 8.1899 120.1832 54.1575 17.9453 179.3170 75 V 2.5671 7.6307 116.5092 65.6339 31.2692 177.5468 76 W 4.3610 7.9453 116.3279 58.4610 29.7078 177.9703 77 S 4.5826 8.4025 112.6697 58.7475 64.1301 173.1242 78 D 5.1425 8.3438 121.9837 52.4097 40.9812 175.8289 79 A 4.0621 7.9186 124.7208 55.1491 18.9154 179.1534 80 A 4.0368 8.0942 119.0842 55.1465 18.5335 179.9064 81 G 3.8544 8.3878 105.6860 47.4653 0.0000 175.7549 82 F 3.1839 8.1960 123.3022 60.4432 39.2482 177.1143 83 K 3.7065 8.2780 119.3407 59.3433 31.9102 178.6127 84 A 3.9455 8.1926 120.9552 55.1109 18.3514 179.4885 85 A 3.8671 8.0447 119.0756 55.0944 18.3080 179.7894 86 A 3.7945 7.7838 119.4545 55.4027 18.4280 179.6710 87 D 4.2417 8.4226 117.9060 57.1981 40.8930 178.8821 88 K 3.9151 8.2522 120.4279 59.3414 32.0925 178.6782 89 F 4.2061 8.2061 120.5975 61.3496 39.3159 176.9818 90 A 3.5924 8.2716 120.4533 54.9088 18.0666 179.4341 91 A 3.8413 8.1096 119.1193 55.2175 18.4040 179.7748 92 A 3.8919 7.8383 119.1686 55.3056 18.4828 180.0863 93 V 3.3772 7.7683 117.0738 65.9465 31.4717 177.9243 94 D 4.3224 8.1130 118.9013 57.3867 40.6187 179.0082 95 K 3.9986 7.8564 118.5469 59.1085 31.9180 179.2156 96 L 3.9265 8.0042 120.8319 58.0931 42.0747 178.3777 97 D 4.2901 8.5365 118.1070 57.4767 41.1510 178.1302 98 A 3.9881 8.0999 120.8490 55.1751 18.4636 179.4750 99 A 4.0683 8.3407 119.5148 55.2142 18.2200 180.0012 100 G 3.6718 8.1992 103.6500 48.0559 0.0000 175.7765 101 K 4.1997 7.8067 119.5537 59.1080 32.1346 179.1817 102 T 4.1647 7.7101 109.2252 62.3016 68.9823 175.9973 103 G 3.9464 7.8570 107.6312 46.0578 0.0000 173.2177 104 D 4.5607 8.2370 120.5264 53.2547 41.8923 176.1801 105 F 3.4025 8.8993 129.1578 61.4093 39.3058 176.8341 106 A 4.0375 8.1095 119.6068 55.2888 18.2650 179.4974 107 Q 3.9231 8.6652 116.8537 58.9458 28.7586 178.9363 108 I 3.6164 7.9205 121.2195 64.2518 37.1597 178.3606 109 K 3.6843 7.9379 120.5263 59.3271 31.9526 178.6460 110 A 3.9428 8.0819 120.8478 55.1934 18.2607 179.5401 111 A 4.0030 8.0852 119.2970 54.9829 18.3173 179.9122 112 V 3.8968 8.3872 117.6355 66.2201 31.5250 178.5525 113 G 3.6170 8.1177 105.3352 47.9250 0.0000 175.5821 114 E 4.0199 8.2315 121.4475 59.3014 29.4888 179.6445 115 T 3.9908 8.4803 116.3256 66.6756 68.5569 177.0142 116 G 3.8523 8.7242 108.0916 47.7642 0.0000 175.8862 117 G 3.6808 8.4138 107.8278 47.6220 0.0000 175.6846 118 A 4.0148 7.9433 122.7973 54.8882 18.3672 179.4179 119 C 3.6316 7.9898 115.3371 62.8707 28.1472 176.3808 120 K 3.9615 8.0306 121.1655 59.2870 31.3914 178.9727 121 G 3.6159 8.2894 106.3787 47.9609 0.0000 175.2597 122 C 4.2111 7.9462 121.0645 62.6111 31.6686 175.2617 123 H 4.2251 8.2585 117.8649 59.0747 28.0231 177.3215 124 D 4.3555 8.1979 120.0047 57.0924 40.7199 178.3792 125 K 4.0105 7.2905 116.6453 56.8088 32.9022 177.2544 126 F 4.8773 8.2408 114.7659 56.3798 41.0568 175.0355 127 K 4.6868 8.0984 126.3666 55.4415 32.1243 175.2858 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 Q 8.34 4.29 0.00 0.96 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 2 F 7.88 4.70 0.00 3.07 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 3 Q 9.40 4.16 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 4 K 8.06 4.87 0.00 1.66 1.64 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.20 7.81 5 P 0.00 4.43 0.00 2.49 2.36 0.00 3.67 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 2.05 2.01 0.00 6 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 7 D 8.16 4.35 0.00 3.00 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 8 A 7.63 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.38 3.47 1.96 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 1.49 0.82 0.98 0.00 0.00 10 E 8.24 3.87 0.00 1.94 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 1.86 2.19 0.00 11 Y 8.00 3.97 0.00 3.17 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 12 R 8.07 3.72 0.00 1.90 1.93 0.00 2.21 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 13 Q 8.16 4.19 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 14 S 8.15 4.07 0.00 3.91 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 15 A 7.88 3.83 0.99 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 16 F 8.15 4.36 0.00 3.26 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 17 T 8.25 3.95 4.43 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 1.25 0.00 0.00 18 L 8.05 4.08 0.00 1.85 1.78 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.22 3.81 2.18 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 1.56 0.76 1.07 0.00 0.00 20 A 8.50 4.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.24 0.00 2.80 2.92 0.00 0.00 7.23 8.05 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 22 H 8.40 4.24 0.00 3.33 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.99 4.41 0.00 3.16 3.20 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 24 G 8.53 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 25 R 7.75 3.92 0.00 2.02 1.99 0.00 3.33 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 26 V 7.51 3.55 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 0.97 0.00 0.00 1.00 0.00 0.00 27 A 7.89 3.73 0.99 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 28 A 8.11 3.93 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 29 M 8.15 4.40 0.00 2.41 2.39 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 2.69 2.71 0.00 30 A 7.95 3.78 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 31 Q 8.21 4.31 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 32 G 7.96 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 33 K 8.31 4.21 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.59 7.81 34 A 7.61 4.78 1.23 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 0.00 0.00 35 P 0.00 4.45 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 36 F 8.72 4.52 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 37 D 7.98 4.29 0.00 2.57 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 0.00 0.00 0.00 0.00 38 A 7.84 3.53 1.23 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 0.00 0.00 39 K 7.81 3.79 0.00 1.78 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 40 V 8.05 3.69 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 0.94 0.00 0.00 1.00 0.00 0.00 41 A 8.28 3.97 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 42 A 8.22 3.97 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 43 E 8.29 3.90 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 2.32 2.48 0.00 44 N 8.38 4.44 0.00 2.77 3.09 0.00 0.00 7.08 6.79 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 45 I 8.31 3.76 2.08 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 1.52 0.87 0.98 0.00 0.00 46 A 8.33 4.00 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 47 L 7.90 3.90 0.00 1.84 1.62 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.05 3.64 2.31 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 1.15 0.00 0.00 1.20 0.00 0.00 49 S 8.18 4.00 0.00 3.92 4.01 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 0.00 0.00 0.00 50 T 7.93 4.01 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 1.21 0.00 0.00 51 L 8.31 4.02 0.00 1.73 1.71 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.14 4.38 0.00 3.86 4.15 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 53 K 7.60 4.28 0.00 1.86 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.60 7.81 54 L 7.87 4.58 0.00 1.71 1.83 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.28 0.00 1.25 1.40 0.00 3.86 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 1.81 1.31 0.00 56 L 7.94 4.71 0.00 1.75 1.80 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.96 4.37 4.34 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 1.36 0.00 0.00 58 A 8.14 4.75 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 59 F 7.68 5.06 0.00 2.96 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 60 G 8.09 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 61 P 0.00 4.37 0.00 2.21 2.14 0.00 3.94 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 2.05 2.05 0.00 62 G 8.62 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 63 T 7.46 4.94 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 1.24 0.00 0.00 64 D 7.35 4.50 0.00 2.35 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 65 K 7.50 4.48 0.00 1.59 1.71 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 1.30 7.81 66 G 8.82 3.98 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 0.00 0.00 0.00 67 H 7.69 4.48 0.00 3.07 3.12 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.06 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 0.00 0.00 0.00 0.00 69 T 8.11 4.67 4.31 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 1.33 0.00 0.00 70 E 8.78 4.53 0.00 2.07 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 2.32 2.30 0.00 71 A 8.02 4.41 1.59 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 72 K 8.97 4.40 0.00 1.99 1.79 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 73 P 0.00 4.58 0.00 2.24 2.22 0.00 3.68 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 2.18 2.25 0.00 74 A 8.19 4.26 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 75 V 7.63 2.57 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 0.00 0.00 -1.47 0.00 0.00 0.28 0.00 0.00 76 W 7.95 4.36 0.00 3.52 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 77 S 8.40 4.58 0.00 4.14 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 0.00 78 D 8.34 5.14 0.00 2.81 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 79 A 7.92 4.06 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 80 A 8.09 4.04 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 81 G 8.39 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 0.00 0.00 0.00 82 F 8.20 3.18 0.00 2.23 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 83 K 8.28 3.71 0.00 1.91 1.96 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.33 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.46 7.81 84 A 8.19 3.95 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 85 A 8.04 3.87 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 86 A 7.78 3.79 1.06 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 87 D 8.42 4.24 0.00 2.76 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 88 K 8.25 3.92 0.00 1.92 1.97 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 89 F 8.21 4.21 0.00 3.03 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 90 A 8.27 3.59 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.11 3.84 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 92 A 7.84 3.89 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 93 V 7.77 3.38 1.62 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 0.77 0.00 0.00 0.07 0.00 0.00 94 D 8.11 4.32 0.00 2.89 2.66 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 95 K 7.86 4.00 0.00 1.93 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.59 7.81 96 L 8.00 3.93 0.00 1.87 1.83 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.54 4.29 0.00 2.79 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 98 A 8.10 3.99 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 99 A 8.34 4.07 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 0.00 100 G 8.20 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.81 4.20 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.56 7.81 102 T 7.71 4.16 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 1.31 0.00 0.00 103 G 7.86 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 0.00 104 D 8.24 4.56 0.00 2.84 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 0.00 105 F 8.90 3.40 0.00 2.49 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 0.00 106 A 8.11 4.04 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 0.00 107 Q 8.67 3.92 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 108 I 7.92 3.62 1.73 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.81 0.00 0.00 109 K 7.94 3.68 0.00 1.22 1.71 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.34 7.81 110 A 8.08 3.94 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 0.00 111 A 8.09 4.00 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 0.00 112 V 8.39 3.90 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 0.99 0.00 0.00 0.88 0.00 0.00 113 G 8.12 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.23 4.02 0.00 2.19 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 2.34 2.53 0.00 115 T 8.48 3.99 4.39 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 0.83 0.00 0.00 116 G 8.72 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 0.00 0.00 0.00 117 G 8.41 3.68 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 0.00 0.00 0.00 118 A 7.94 4.01 1.50 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 0.00 0.00 119 C 7.99 3.63 0.00 2.90 2.66 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 0.00 120 K 8.03 3.96 0.00 1.81 1.91 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 121 G 8.29 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.95 4.21 0.00 2.91 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 0.00 123 H 8.26 4.23 0.00 3.30 3.25 0.00 5.70 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 0.00 124 D 8.20 4.36 0.00 2.74 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 0.00 125 K 7.29 4.01 0.00 1.05 0.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.33 7.81 126 F 8.24 4.88 0.00 3.26 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 0.00 127 K 8.10 4.69 0.00 1.60 1.62 0.00 1.16 0.00 0.00 1.08 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.20 7.81 * Residues marked with a * may have inaccurate shift predictions.