NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3588 8.1127 119.0747 55.7465 31.4588 176.1769 9 L 3.6640 8.3882 124.1171 57.0708 42.2497 176.8219 10 D 5.0133 8.9942 117.2052 56.0212 41.6664 175.6404 11 D 4.9308 7.4989 117.2340 53.5391 42.4949 176.7981 12 Q 4.1313 8.1775 120.8624 55.7597 29.7095 176.9765 13 I 3.8286 8.6625 124.9992 63.9130 37.9760 178.1422 14 G 3.6314 8.0895 106.2781 47.8259 0.0000 175.2192 15 F 4.4732 8.2875 123.4152 60.8661 39.3530 177.0176 16 I 3.4188 7.8414 119.2916 64.2964 36.8846 178.1738 17 L 3.9357 8.1347 120.0976 57.9521 41.4100 179.6863 18 R 3.8851 8.1186 118.3354 59.5670 29.9594 178.6089 19 Q 3.8925 7.9765 117.5819 58.9118 28.6686 178.5977 20 A 3.9657 8.2378 122.1730 55.1514 18.3021 179.2268 21 N 4.3303 8.4488 115.7626 56.8743 38.9837 177.2227 22 Q 4.0086 8.4327 120.0659 58.7397 28.7424 178.6417 23 R 3.8630 8.3366 120.1316 59.5040 30.0806 177.9254 24 Y 3.9187 8.2594 119.1464 60.5866 38.8120 177.6038 25 A 4.0234 8.4110 121.7407 55.3948 18.4267 179.2262 26 A 3.9133 7.9590 118.8829 55.5602 18.3022 179.8377 27 L 3.8655 7.8031 116.2024 57.6549 41.9149 179.5749 28 F 3.7795 8.2052 120.7448 61.0821 39.1331 177.0472 29 A 4.0461 7.9521 119.1065 55.0450 18.2930 178.5612 30 N 4.6423 7.9740 112.0950 53.9939 39.0528 176.5320 31 G 3.8273 7.3993 105.6326 44.7036 0.0000 174.8217 32 I 3.2797 7.0975 120.4888 61.7145 37.7083 176.6924 33 G 4.0774 7.9890 108.6812 45.4116 0.0000 173.7772 34 N 4.4390 7.6499 114.2185 52.8424 37.8521 176.1886 35 G 3.9374 8.1721 106.9977 45.5070 0.0000 173.3765 36 L 4.6511 8.1732 119.9342 53.9086 42.8486 177.5246 37 T 4.3750 8.4801 112.6697 60.8413 71.0529 174.0237 38 P 3.2915 0.0000 0.0000 65.4586 31.1532 178.8170 39 T 4.1035 7.7394 107.8575 64.2709 69.2912 176.9558 40 Q 4.0437 7.9538 120.9762 58.5089 28.7293 178.5023 41 W 4.2734 8.4700 129.3199 60.3386 30.7375 177.8589 42 A 3.8933 8.1231 120.4853 55.1791 17.8144 179.5190 43 A 3.8602 7.9393 119.1707 55.0675 18.4201 179.6126 44 L 3.7545 7.6788 118.6493 58.1085 41.9168 179.3245 45 V 3.1581 7.3328 117.2051 65.9398 31.7256 177.5167 46 R 3.9466 8.0463 118.6685 59.5766 29.8842 178.4686 47 L 4.2018 7.4597 120.0874 56.9266 41.3299 179.5961 48 G 3.6205 7.5697 104.7362 47.4267 0.0000 175.0653 49 E 4.2313 7.8333 120.0940 58.5087 29.6988 178.1128 50 T 4.2879 7.8554 108.2882 62.5197 69.8938 175.9173 51 G 4.2225 7.9622 109.5752 44.1295 0.0000 170.6323 52 P 4.5615 0.0000 0.0000 63.5659 31.9453 175.7983 53 C 4.7632 9.0518 123.7342 56.8756 35.5033 171.3258 54 P 4.9225 0.0000 0.0000 62.4590 31.5134 176.9883 55 Q 3.9127 9.0054 124.6245 59.6161 28.9209 178.6246 56 N 4.4463 8.0666 116.9162 56.2400 38.4560 177.0561 57 Q 3.9228 7.9809 119.7903 59.0053 29.3270 177.5819 58 L 4.1724 8.3259 121.9390 57.8479 42.0795 179.2001 59 G 3.5967 7.8775 105.3017 47.9466 0.0000 175.7946 60 R 4.1204 8.1233 118.8622 57.6245 30.1396 177.9696 61 L 4.5505 7.4262 117.6498 54.7728 42.2789 176.8903 62 T 4.3809 7.4456 108.4757 60.6024 68.9925 173.7523 63 A 3.4088 7.9659 123.3209 53.3439 15.1871 177.1063 *65 D 4.4268 7.8114 119.8956 52.9847 42.2495 176.1564 66 A 4.0441 8.3208 119.8928 55.2676 18.2441 179.4779 67 A 3.8965 7.9630 118.5982 55.6206 18.4947 179.4656 68 T 3.7981 8.7022 114.3405 67.0945 68.6352 176.6000 69 I 3.6767 8.0248 120.3988 63.8950 37.8916 177.7514 70 K 4.2342 7.5163 121.6368 58.7299 31.9600 179.0203 71 G 3.6051 8.1058 106.0549 48.0748 0.0000 176.2071 72 V 3.7345 7.5818 115.4669 63.7786 31.5306 178.9765 73 V 3.6274 8.0120 118.2938 65.7447 31.4791 177.7780 74 E 3.9630 8.4670 118.7691 59.6771 29.2628 179.2241 75 R 4.2624 7.7622 114.3614 57.3219 30.5778 177.6425 76 L 4.3325 7.6562 120.2294 56.8833 42.3701 177.8565 77 D 4.3196 8.0527 118.6419 57.0382 41.0133 178.3284 78 K 3.9985 7.8124 117.0325 59.4415 32.7445 177.8770 79 R 4.1180 8.0222 116.4318 56.0975 30.3732 176.8662 80 G 3.9251 8.1299 106.1842 46.2738 0.0000 174.5513 81 L 4.6603 8.1033 120.7608 55.0772 42.9017 176.4023 82 I 5.2377 7.7315 111.0597 58.8522 41.0949 174.6448 83 Q 4.7055 9.2654 121.0197 54.5355 31.6567 174.1775 84 R 5.2417 8.6016 120.8570 54.7322 32.2160 175.5098 85 S 4.7736 8.9288 116.6403 56.3983 67.1324 173.1167 86 A 4.4483 8.4906 122.9862 51.9088 18.8552 176.8164 87 D 4.4767 8.8912 122.9983 53.5082 41.5476 175.5725 88 P 4.3099 0.0000 0.0000 65.2372 31.6101 176.9684 89 D 4.5098 8.2839 117.7770 55.3641 41.4724 176.1349 90 D 4.4284 8.0079 118.8063 52.7457 42.0726 175.6712 91 G 3.6787 8.5651 116.1310 47.6580 0.0000 173.3004 92 R 3.9848 8.2576 118.2780 58.5647 30.4860 176.5709 93 R 4.7355 8.0742 116.4108 54.2157 33.5596 174.8688 94 L 5.1565 8.2901 121.9529 53.3592 45.2475 174.7087 95 L 4.9859 9.2831 126.4788 53.1770 44.0537 175.4906 96 V 4.6282 8.9050 124.4005 61.7957 33.4208 174.6158 97 S 4.9304 8.8418 120.9527 56.4034 66.4553 172.3841 98 L 4.6079 8.4053 126.6637 54.7116 42.6849 176.7875 99 S 4.3544 8.8472 122.2588 57.8645 64.0699 173.6480 100 P 4.1943 0.0000 0.0000 65.7283 30.8971 178.9623 101 A 4.0671 8.0055 119.1354 55.2064 18.4566 179.5639 102 G 3.6743 8.1665 104.0373 48.0821 0.0000 175.6347 103 R 4.0855 8.4545 118.0680 58.3616 29.6095 178.7461 104 A 4.0394 7.9823 121.8642 54.9258 18.2457 179.1287 105 E 3.9345 8.6010 118.3463 59.2153 29.2548 178.8331 106 L 4.0514 8.0169 120.4388 58.4151 41.9930 178.9384 107 E 4.0705 8.0063 116.6549 59.2390 29.4384 178.8693 108 A 4.2900 8.4570 120.3172 54.1024 18.7561 178.9476 109 G 3.8008 7.9746 103.4142 45.8727 0.0000 175.9170 110 L 4.2615 7.8685 120.9626 57.9474 41.6265 179.2555 111 A 3.9808 8.0368 119.8138 55.2366 18.3802 179.4355 112 A 3.8003 7.8416 118.5464 55.1278 18.3462 179.5588 113 A 3.7271 7.9835 119.4438 55.1200 18.3343 180.1907 114 R 3.9130 8.1270 116.6970 59.3091 30.2061 178.7427 115 E 3.8841 8.0528 119.0760 59.3794 29.6496 178.6378 116 I 3.6054 7.7312 119.8151 64.7844 37.2462 178.1652 117 N 4.5989 7.9579 117.0232 56.4251 38.4651 177.8049 118 R 3.9841 8.4680 120.0074 59.2075 29.9003 178.7940 119 Q 4.1169 8.1003 118.3110 58.6175 29.1320 177.5046 120 A 4.2156 8.4863 121.8030 54.6592 18.7847 178.6420 121 L 4.3932 7.7843 114.4654 54.7745 41.7374 178.3441 122 A 4.0176 7.2997 121.0431 54.8370 18.4217 177.3640 123 P 4.3611 0.0000 0.0000 64.0169 31.6526 176.1333 124 L 4.8942 7.4679 118.7384 52.2235 44.2860 177.1217 125 S 4.3990 8.9909 118.1872 57.9768 64.5020 175.5999 126 L 3.9940 8.3778 121.8775 58.1310 41.3507 179.9171 127 Q 4.0032 7.9914 117.3420 59.1029 28.8122 178.2632 128 E 3.9988 7.8302 118.1849 59.7318 29.3543 179.5719 129 Q 4.0579 8.0043 117.5926 58.5041 28.9273 178.0938 130 E 3.9141 7.9014 119.7751 59.5292 29.7304 178.9911 131 T 3.8662 7.9732 115.7733 66.4484 68.5352 176.4091 132 L 3.8867 7.9987 122.1358 58.2370 42.2243 178.8862 133 R 4.0222 8.2674 118.9824 59.2873 29.7170 178.6799 134 G 3.5660 7.7298 103.9819 47.8401 0.0000 175.3270 135 L 4.1409 7.7747 122.1942 57.3673 41.6941 179.5776 136 L 4.0173 8.5517 120.1704 57.7828 41.6508 178.7329 137 A 4.0794 8.1460 120.8768 54.6475 18.0385 178.7590 138 R 4.4050 7.4741 113.7322 56.6438 30.3689 176.8716 139 L 4.6500 7.3938 117.4827 53.9612 42.9086 176.6267 140 I 3.8397 7.3059 124.1654 61.9693 37.0922 175.5145 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 8 R 8.11 4.36 0.00 1.75 1.88 0.00 3.22 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.39 3.66 0.00 1.69 1.57 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.99 5.01 0.00 2.78 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 11 D 7.50 4.93 0.00 2.65 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 12 Q 8.18 4.13 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 13 I 8.66 3.83 1.89 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 1.58 1.62 0.93 0.00 0.00 14 G 8.09 3.63 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 0.00 0.00 0.00 15 F 8.29 4.47 0.00 3.04 3.26 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 16 I 7.84 3.42 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.86 0.00 0.00 17 L 8.13 3.94 0.00 1.94 1.73 0.92 0.77 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 18 R 8.12 3.89 0.00 1.94 2.15 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 19 Q 7.98 3.89 0.00 2.06 1.96 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 2.11 1.97 0.00 20 A 8.24 3.97 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 21 N 8.45 4.33 0.00 3.01 2.84 0.00 0.00 7.21 7.30 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 22 Q 8.43 4.01 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 23 R 8.34 3.86 0.00 1.87 2.13 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 24 Y 8.26 3.92 0.00 3.17 3.11 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 25 A 8.41 4.02 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 26 A 7.96 3.91 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 27 L 7.80 3.87 0.00 1.39 1.60 0.90 0.70 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 28 F 8.21 3.78 0.00 2.60 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 29 A 7.95 4.05 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 30 N 7.97 4.64 0.00 2.64 2.80 0.00 0.00 6.79 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 31 G 7.40 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 0.00 0.00 0.00 32 I 7.10 3.28 0.56 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.68 0.71 0.00 0.00 33 G 7.99 4.08 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 0.00 0.00 0.00 34 N 7.65 4.44 0.00 3.10 2.93 0.00 0.00 7.11 6.54 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 35 G 8.17 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 0.00 0.00 0.00 0.00 36 L 8.17 4.65 0.00 1.97 1.84 1.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.48 4.38 4.26 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 1.27 0.00 0.00 38 P 0.00 3.29 0.00 1.97 1.71 0.00 3.49 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 1.96 1.33 0.00 39 T 7.74 4.10 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 1.19 0.00 0.00 40 Q 7.95 4.04 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 41 W 8.47 4.27 0.00 3.73 3.46 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 42 A 8.12 3.89 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 43 A 7.94 3.86 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 44 L 7.68 3.75 0.00 1.90 1.47 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.33 3.16 1.84 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 0.72 0.00 0.00 -0.02 0.00 0.00 46 R 8.05 3.95 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 47 L 7.46 4.20 0.00 1.81 1.65 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.57 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 49 E 7.83 4.23 0.00 2.09 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 0.00 2.28 2.42 0.00 50 T 7.86 4.29 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 1.18 0.00 0.00 51 G 7.96 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 0.00 0.00 0.00 0.00 52 P 0.00 4.56 0.00 1.93 2.02 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 53 C 9.05 4.76 0.00 3.08 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 54 P 0.00 4.92 0.00 2.10 1.96 0.00 4.09 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 55 Q 9.01 3.91 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 56 N 8.07 4.45 0.00 2.77 2.84 0.00 0.00 6.75 8.18 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 57 Q 7.98 3.92 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 58 L 8.33 4.17 0.00 1.76 1.83 0.88 1.33 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 59 G 7.88 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 60 R 8.12 4.12 0.00 1.92 1.99 0.00 3.14 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 61 L 7.43 4.55 0.00 1.67 1.68 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.45 4.38 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 1.24 0.00 0.00 63 A 7.97 3.41 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 *65 D 7.81 4.43 0.00 2.94 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 66 A 8.32 4.04 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 67 A 7.96 3.90 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 68 T 8.70 3.80 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 69 I 8.02 3.68 1.86 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 1.61 1.22 0.97 0.00 0.00 70 K 7.52 4.23 0.00 2.08 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.42 7.81 71 G 8.11 3.61 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 72 V 7.58 3.73 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 0.90 0.00 0.00 1.00 0.00 0.00 73 V 8.01 3.63 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 1.03 0.00 0.00 0.96 0.00 0.00 74 E 8.47 3.96 0.00 2.29 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 2.34 2.49 0.00 75 R 7.76 4.26 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 76 L 7.66 4.33 0.00 2.12 1.66 1.03 1.02 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 77 D 8.05 4.32 0.00 3.00 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 78 K 7.81 4.00 0.00 1.95 1.94 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.43 7.81 79 R 8.02 4.12 0.00 2.00 2.04 0.00 3.33 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 80 G 8.13 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 81 L 8.10 4.66 0.00 1.64 1.73 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.73 5.24 1.92 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 1.40 0.54 0.90 0.00 0.00 83 Q 9.27 4.71 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 84 R 8.60 5.24 0.00 1.70 1.87 0.00 3.18 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 85 S 8.93 4.77 0.00 3.83 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 86 A 8.49 4.45 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 87 D 8.89 4.48 0.00 2.75 2.85 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 88 P 0.00 4.31 0.00 2.21 2.17 0.00 3.80 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 1.98 1.98 0.00 89 D 8.28 4.51 0.00 2.79 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 90 D 8.01 4.43 0.00 2.69 2.50 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 91 G 8.57 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 92 R 8.26 3.98 0.00 2.03 2.02 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 93 R 8.07 4.74 0.00 1.87 1.80 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 94 L 8.29 5.16 0.00 1.72 1.47 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.28 4.99 0.00 1.81 1.54 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.90 4.63 2.07 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 0.90 0.00 0.00 0.92 0.00 0.00 97 S 8.84 4.93 0.00 3.87 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 98 L 8.41 4.61 0.00 1.65 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.85 4.35 0.00 4.00 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 0.00 100 P 0.00 4.19 0.00 2.16 2.11 0.00 3.60 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 2.12 2.16 0.00 101 A 8.01 4.07 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 0.00 102 G 8.17 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 0.00 103 R 8.45 4.09 0.00 2.02 2.32 0.00 2.77 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 104 A 7.98 4.04 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 0.00 0.00 105 E 8.60 3.93 0.00 2.25 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 0.00 2.43 2.55 0.00 106 L 8.02 4.05 0.00 1.85 1.81 0.36 0.97 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 0.00 107 E 8.01 4.07 0.00 2.18 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 0.00 2.62 2.49 0.00 108 A 8.46 4.29 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 0.00 109 G 7.97 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 0.00 110 L 7.87 4.26 0.00 1.83 1.86 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.04 3.98 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 0.00 112 A 7.84 3.80 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 0.00 113 A 7.98 3.73 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 0.00 114 R 8.13 3.91 0.00 2.07 2.01 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 115 E 8.05 3.88 0.00 2.05 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 2.24 2.33 0.00 116 I 7.73 3.61 1.95 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.29 0.71 0.00 0.00 117 N 7.96 4.60 0.00 2.92 2.96 0.00 0.00 7.09 7.85 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 0.00 118 R 8.47 3.98 0.00 1.83 1.99 0.00 3.12 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 119 Q 8.10 4.12 0.00 2.04 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 120 A 8.49 4.22 1.56 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 0.00 121 L 7.78 4.39 0.00 1.74 1.77 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.30 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 0.00 123 P 0.00 4.36 0.00 2.05 2.12 0.00 3.57 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 2.03 2.11 0.00 124 L 7.47 4.89 0.00 1.80 1.54 0.92 0.93 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 0.00 125 S 8.99 4.40 0.00 4.03 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 0.00 126 L 8.38 3.99 0.00 1.71 1.77 0.93 0.84 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 0.00 127 Q 7.99 4.00 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 128 E 7.83 4.00 0.00 2.32 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 2.37 0.00 129 Q 8.00 4.06 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 130 E 7.90 3.91 0.00 2.11 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 2.31 2.40 0.00 131 T 7.97 3.87 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 1.21 0.00 0.00 132 L 8.00 3.89 0.00 1.84 1.83 0.91 0.72 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 0.00 133 R 8.27 4.02 0.00 2.10 1.91 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 134 G 7.73 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 0.00 135 L 7.77 4.14 0.00 2.03 1.72 0.92 0.60 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 0.00 136 L 8.55 4.02 0.00 1.81 1.68 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.15 4.08 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 0.00 138 R 7.47 4.41 0.00 1.98 1.97 0.00 3.11 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 139 L 7.39 4.65 0.00 1.72 1.64 0.92 0.85 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 0.00 140 I 7.31 3.84 1.95 0.00 0.00 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 1.13 0.50 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.