NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4366 8.1814 115.2960 57.7863 63.9311 174.4909 18 G 3.5652 8.5954 113.2076 46.8451 0.0000 174.4694 19 L 3.9330 7.9690 122.3395 57.9488 42.6909 176.6639 20 E 3.9354 8.1878 118.8194 59.3025 29.4598 177.9987 21 D 4.2843 8.6091 118.2230 57.4925 41.2720 178.4528 22 K 3.9380 7.9248 118.7028 59.4222 32.0348 179.5301 23 V 3.5114 7.9297 118.5456 65.9572 31.4421 177.9595 24 S 3.7666 8.1877 113.0621 61.2839 62.1222 176.1455 25 K 3.9684 8.3303 122.6755 59.1661 31.6320 178.6001 26 Q 3.9089 8.2681 120.4412 59.1874 28.9469 178.3201 27 L 4.0436 7.7243 119.8407 57.8974 41.5278 179.4661 28 E 4.1591 8.4237 118.7954 59.4113 29.2452 179.4736 29 S 4.1853 8.3455 113.1765 60.1994 63.0610 175.2648 30 K 4.4469 7.4214 120.0850 54.9727 32.4904 175.5639 31 G 3.9532 8.1805 105.7118 47.3196 0.0000 174.0515 32 I 4.0658 8.2041 123.5155 61.0758 37.8028 178.4910 33 K 4.2898 8.5566 128.2247 53.4410 29.8699 172.9486 34 F 5.0249 7.8162 119.7192 54.7795 40.4775 175.8647 35 E 4.5756 8.7885 120.3036 54.6325 31.4985 175.1468 36 Y 4.5596 8.7818 125.2943 58.0713 39.7689 174.9293 37 E 3.6138 8.1736 127.4358 57.3370 27.2263 175.3254 38 E 4.0326 8.1142 118.7287 56.3093 30.6249 175.4587 39 W 4.8645 7.9944 119.7370 55.3933 32.4176 174.9935 40 K 4.5260 8.8175 123.8722 52.7848 32.9144 173.8382 41 V 4.3238 8.3125 124.1850 59.7283 32.2398 173.5770 42 P 4.6736 0.0000 0.0000 62.5185 32.0749 175.1804 43 Y 4.8779 7.9791 118.4286 55.8423 40.6246 173.9778 44 V 4.1095 8.2571 120.3217 60.9775 33.5420 175.0796 45 I 4.1347 8.1649 128.5437 59.6553 37.0689 174.0407 46 P 4.2828 0.0000 0.0000 62.3215 31.8053 176.4040 47 A 4.1812 8.4111 123.7600 52.5404 18.9021 177.0905 48 S 4.7824 8.2832 113.6970 56.4442 66.3528 173.0212 49 N 5.0081 8.4133 117.9102 51.9420 40.9123 173.7783 50 H 4.9474 8.4771 118.3356 54.7824 33.0794 172.2397 51 T 4.5938 8.2654 108.7777 60.4818 71.2401 172.3936 52 Y 4.5664 8.6376 126.0844 56.3030 39.6231 175.2602 53 T 3.9822 7.9714 125.2049 60.8560 68.0449 172.6622 54 P 3.7910 0.0000 0.0000 63.1738 32.0398 177.2152 55 D 4.3118 8.8866 121.6258 55.7233 40.0295 175.5717 56 F 5.0310 8.5197 118.4606 55.0333 42.4214 173.9296 57 L 4.4452 8.4877 124.7541 52.9781 44.0776 175.6631 58 L 4.3823 8.5131 127.0367 53.0643 42.5690 175.9070 59 P 4.2131 0.0000 0.0000 65.8445 31.5213 176.5490 60 N 4.6266 8.0001 113.6912 53.0787 37.0256 175.7629 61 G 4.2120 8.5662 111.5775 44.4208 0.0000 174.5295 62 I 3.4525 6.7543 113.4418 56.2400 37.6279 174.3614 63 F 4.9125 9.2156 124.6894 56.0867 41.4784 175.1810 64 V 4.9848 9.7160 124.4852 62.0456 34.6187 174.4281 65 E 5.0922 9.8041 127.0536 55.1856 31.9653 171.3543 66 T 4.8423 8.8071 118.0751 60.2225 70.0839 174.9002 67 K 4.4453 8.5433 129.8409 54.6124 35.6931 171.7717 68 G 3.8177 9.2014 113.9520 46.2155 0.0000 176.8532 69 L 4.5123 9.1865 116.2617 53.9346 42.2790 179.1588 70 W 4.9422 9.4816 133.2641 55.3776 30.9720 175.1785 71 E 4.0113 8.5098 120.2201 55.6621 30.0345 176.8994 72 S 3.7843 8.6900 116.3120 61.2429 62.2855 176.2826 73 D 4.3748 7.8255 119.9826 56.2662 40.7666 177.7058 74 D 4.3870 7.8574 119.5904 56.2037 41.1463 179.0121 75 R 2.9182 6.8255 118.4140 58.6409 29.9556 178.8208 76 K 3.8639 7.6125 118.2408 59.3424 31.9781 179.0636 77 K 3.7288 7.7359 119.6506 60.0778 31.9719 178.4353 78 H 4.0015 8.2109 116.1974 58.8175 28.6380 177.8545 79 L 4.0923 7.9416 120.4630 57.6323 41.3685 179.5290 80 L 4.0426 8.0373 119.2511 57.6717 41.5978 179.4666 81 I 3.7959 8.2212 122.5973 64.5889 36.7377 179.4468 82 R 3.9594 7.7903 121.1616 61.3989 29.4241 181.4805 83 E 4.2467 7.9719 119.2372 58.9703 29.7096 178.3137 84 Q 4.2918 7.9983 115.8193 56.7359 30.6762 175.9682 85 H 5.0557 8.0671 117.0107 53.6419 29.7875 172.4744 86 P 4.4832 0.0000 0.0000 65.7858 32.1333 178.7670 87 E 4.1276 8.4709 113.7383 58.8335 29.5485 182.6129 88 L 4.4333 7.9263 118.2679 54.1451 42.5951 176.4223 89 D 4.7699 8.5065 119.4810 52.7284 43.1141 173.6019 90 I 5.1542 8.3371 125.2667 59.5272 39.7517 175.1048 91 R 4.9594 9.2034 123.8553 54.5736 34.9367 174.0778 92 I 4.9303 8.9293 120.4171 59.5711 41.2717 175.2176 93 V 5.2077 8.5639 125.7449 60.5748 33.7803 174.8741 94 F 5.8565 8.9631 126.6395 55.8001 41.1474 177.5280 95 S 4.3522 9.0234 116.0804 61.4155 63.3954 175.7468 96 S 4.5196 7.9316 114.4230 56.9987 65.2921 174.2644 97 S 3.8054 8.7715 118.5348 58.4289 63.2624 176.1264 98 R 3.7148 7.5518 121.3039 59.8440 30.1440 176.9356 99 T 3.4562 7.2074 113.1053 62.9844 68.7588 173.3920 100 K 4.3980 8.0812 124.9972 55.6365 33.1327 176.9344 101 L 4.3975 8.9624 124.3832 57.7459 41.7931 177.3335 102 Y 4.9158 6.8766 116.1565 56.0189 40.8521 176.6575 103 K 4.2795 8.1605 120.0751 57.6690 32.4968 177.9803 104 G 3.8818 8.2442 110.5439 46.5751 0.0000 174.5114 105 S 3.5097 7.2462 116.9705 57.6444 62.4939 178.3051 106 P 4.6642 0.0000 0.0000 62.9591 32.5054 175.5595 107 T 4.5918 7.4627 116.1222 61.6668 71.1465 173.4627 108 S 5.0297 8.1321 119.4316 57.2025 66.4025 174.5177 109 Y 4.6007 8.4035 121.3650 61.8681 37.5723 179.4180 110 G 2.9034 8.0925 108.6757 48.3167 0.0000 175.8687 111 E 4.1856 7.9601 121.5628 60.5887 29.6899 180.4249 112 F 4.1572 8.8391 122.0594 61.7603 39.2918 176.7935 113 C 4.1493 9.1435 116.1539 63.3788 28.1216 176.5916 114 E 4.1460 8.1543 121.9579 60.0392 28.9863 180.1043 115 K 4.1386 7.8018 121.8753 58.8326 31.6395 178.8882 116 H 4.9386 7.2443 112.4159 55.3767 29.5217 173.7860 117 G 3.9413 7.8322 106.8698 46.8003 0.0000 173.8844 118 I 4.5375 8.3786 120.5394 59.2908 38.9616 176.3330 119 K 4.5917 8.7077 126.9013 56.1964 33.0631 175.9789 120 F 5.9842 8.9176 118.8344 55.6903 41.6467 173.1853 121 A 4.6176 9.5899 121.3947 51.1662 23.1608 174.3087 122 D 5.3320 8.4034 117.5774 53.5709 43.5595 177.5524 123 K 3.9435 8.8371 122.0406 57.8853 31.6751 175.7838 124 L 4.7047 7.1131 113.3626 52.5498 45.7742 175.9837 125 I 3.4872 7.9902 121.3618 60.5188 35.9366 174.9484 126 P 4.0768 0.0000 0.0000 62.3079 32.2430 177.4214 127 A 4.0660 8.2706 123.2212 55.4290 18.4428 180.0640 128 E 4.1264 8.1695 113.2472 58.6813 30.0655 178.6418 129 W 4.6105 8.2499 119.1226 59.5299 29.6641 178.6929 130 I 3.7329 7.4662 119.3438 65.0502 36.5728 178.7004 131 K 4.1446 8.0574 119.6559 56.5130 31.7867 178.9155 132 E 4.0577 7.6685 116.3520 56.5113 29.8965 175.2218 133 P 4.2013 0.0000 0.0000 62.5572 31.4355 176.1758 134 K 3.9739 8.7052 127.0482 57.8357 32.4166 176.2678 135 K 4.7478 8.8295 131.7756 53.8952 35.4180 174.7332 136 E 4.3330 8.6991 120.1698 57.0809 30.4536 178.5045 137 V 3.9463 8.5685 126.0679 58.9433 31.0233 173.2926 138 P 4.6923 0.0000 0.0000 60.8037 28.6833 176.5526 *139 F 4.0531 10.9261 121.4662 59.9108 38.6458 180.2443 140 D 4.3823 8.5737 121.5618 58.0699 39.6909 184.4036 141 R 4.1231 8.0177 119.3814 59.0128 29.7805 179.8566 142 L 4.1933 7.2942 118.4483 55.0324 41.9332 181.1091 143 K 4.4685 7.9365 122.6833 58.4269 31.3613 180.0449 144 R 3.5008 8.0110 120.4691 57.1556 28.0543 178.8644 145 K 5.0958 7.8232 124.6232 53.3765 31.5896 171.9078 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 17 S 8.18 4.44 0.00 3.89 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 18 G 8.60 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 19 L 7.97 3.93 0.00 1.77 1.67 0.91 0.86 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 20 E 8.19 3.94 0.00 2.12 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 2.57 2.52 0.00 21 D 8.61 4.28 0.00 2.90 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 22 K 7.92 3.94 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.77 7.81 23 V 7.93 3.51 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 0.90 0.00 0.00 0.96 0.00 0.00 24 S 8.19 3.77 0.00 3.96 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 25 K 8.33 3.97 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 Q 8.27 3.91 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 27 L 7.72 4.04 0.00 1.33 1.54 0.12 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.42 4.16 0.00 2.09 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 0.00 2.55 2.78 0.00 29 S 8.35 4.19 0.00 4.01 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 30 K 7.42 4.45 0.00 1.97 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 31 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 32 I 8.20 4.07 2.12 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 1.33 0.89 1.02 0.00 0.00 33 K 8.56 4.29 0.00 1.78 1.63 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.99 7.81 34 F 7.82 5.02 0.00 3.19 3.12 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 35 E 8.79 4.58 0.00 2.19 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 2.37 0.00 36 Y 8.78 4.56 0.00 3.12 2.95 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 37 E 8.17 3.61 0.00 1.84 1.74 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 1.47 1.47 0.00 38 E 8.11 4.03 0.00 1.83 1.86 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 2.19 1.47 0.00 39 W 7.99 4.86 0.00 3.28 3.09 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 40 K 8.82 4.53 0.00 1.76 1.58 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 0.96 7.81 41 V 8.31 4.32 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 1.01 0.00 0.00 0.97 0.00 0.00 42 P 0.00 4.67 0.00 2.13 1.99 0.00 3.81 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 43 Y 7.98 4.88 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.26 4.11 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 0.84 0.00 0.00 0.91 0.00 0.00 45 I 8.16 4.13 1.84 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 1.55 0.64 0.93 0.00 0.00 46 P 0.00 4.28 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 47 A 8.41 4.18 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 48 S 8.28 4.78 0.00 3.86 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 49 N 8.41 5.01 0.00 2.64 2.71 0.00 0.00 6.71 8.16 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 50 H 8.48 4.95 0.00 3.05 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.27 4.59 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 52 Y 8.64 4.57 0.00 2.79 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 53 T 7.97 3.98 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 1.09 0.00 0.00 54 P 0.00 3.79 0.00 2.16 2.05 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.34 0.00 55 D 8.89 4.31 0.00 2.69 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 56 F 8.52 5.03 0.00 3.14 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 57 L 8.49 4.45 0.00 1.13 1.39 -0.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.51 4.38 0.00 2.04 1.71 0.94 0.99 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 59 P 0.00 4.21 0.00 2.01 2.13 0.00 3.64 0.00 0.00 3.84 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 60 N 8.00 4.63 0.00 2.93 3.01 0.00 0.00 6.42 6.93 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 61 G 8.57 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 0.00 0.00 0.00 62 I 6.75 3.45 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.75 0.00 0.00 63 F 9.22 4.91 0.00 3.23 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 64 V 9.72 4.98 2.30 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 1.22 0.00 0.00 1.17 0.00 0.00 65 E 9.80 5.09 0.00 1.65 1.80 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 2.16 2.11 0.00 66 T 8.81 4.84 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 1.48 0.00 0.00 67 K 8.54 4.45 0.00 1.46 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.22 7.81 68 G 9.20 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 69 L 9.19 4.51 0.00 1.68 1.47 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 W 9.48 4.94 0.00 2.52 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 0.00 0.00 0.00 71 E 8.51 4.01 0.00 1.93 1.83 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 2.32 1.89 0.00 72 S 8.69 3.78 0.00 3.76 3.79 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 73 D 7.83 4.37 0.00 2.71 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 74 D 7.86 4.39 0.00 2.63 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 75 R 6.83 2.92 0.00 1.27 1.00 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.61 3.86 0.00 1.69 1.77 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 77 K 7.74 3.73 0.00 1.80 1.82 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.36 7.81 78 H 8.21 4.00 0.00 3.59 3.52 0.00 5.87 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 79 L 7.94 4.09 0.00 1.90 1.69 0.84 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.04 4.04 0.00 1.79 1.66 0.87 0.64 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 81 I 8.22 3.80 1.82 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 1.39 0.77 0.96 0.00 0.00 82 R 7.79 3.96 0.00 1.93 1.84 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 83 E 7.97 4.25 0.00 2.16 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 0.00 2.31 2.48 0.00 84 Q 8.00 4.29 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 85 H 8.07 5.06 0.00 3.26 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.48 0.00 2.05 2.14 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 87 E 8.47 4.13 0.00 1.98 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 2.24 1.93 0.00 88 L 7.93 4.43 0.00 1.63 1.68 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.51 4.77 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 5.15 2.00 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 1.40 0.82 1.14 0.00 0.00 91 R 9.20 4.96 0.00 1.45 1.61 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 92 I 8.93 4.93 1.41 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.69 -0.67 0.00 0.00 93 V 8.56 5.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.98 0.00 0.00 94 F 8.96 5.86 0.00 2.98 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 95 S 9.02 4.35 0.00 3.85 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 96 S 7.93 4.52 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.77 3.81 0.00 3.71 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 98 R 7.55 3.71 0.00 1.75 1.87 0.00 3.31 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 99 T 7.21 3.46 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 0.88 0.00 0.00 100 K 8.08 4.40 0.00 1.57 1.58 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.34 7.81 101 L 8.96 4.40 0.00 1.24 1.92 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.88 4.92 0.00 3.16 3.02 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 0.00 0.00 0.00 103 K 8.16 4.28 0.00 1.81 1.69 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.07 7.81 104 G 8.24 3.88 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 0.00 0.00 0.00 105 S 7.25 3.51 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.66 0.00 2.13 2.16 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 107 T 7.46 4.59 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 0.00 108 S 8.13 5.03 0.00 4.17 3.86 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 0.00 109 Y 8.40 4.60 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.09 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 0.00 0.00 0.00 111 E 7.96 4.19 0.00 2.01 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 2.24 2.05 0.00 112 F 8.84 4.16 0.00 3.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.14 4.15 0.00 2.76 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 0.00 114 E 8.15 4.15 0.00 2.20 2.08 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 2.70 2.82 0.00 115 K 7.80 4.14 0.00 1.87 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.36 7.81 116 H 7.24 4.94 0.00 2.87 3.19 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 0.00 117 G 7.83 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 0.00 118 I 8.38 4.54 2.14 0.00 0.00 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 1.41 0.83 1.09 0.00 0.00 119 K 8.71 4.59 0.00 1.53 1.52 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.42 7.81 120 F 8.92 5.98 0.00 3.67 3.28 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 0.00 121 A 9.59 4.62 0.67 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 0.00 122 D 8.40 5.33 0.00 2.54 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 0.00 123 K 8.84 3.94 0.00 1.88 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.52 7.81 124 L 7.11 4.70 0.00 1.45 1.40 0.86 0.77 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 0.00 125 I 7.99 3.49 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.36 1.07 0.00 0.00 126 P 0.00 4.08 0.00 1.07 1.62 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.42 0.00 127 A 8.27 4.07 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 0.00 128 E 8.17 4.13 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 129 W 8.25 4.61 0.00 3.55 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 0.00 130 I 7.47 3.73 1.90 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 1.23 0.69 0.93 0.00 0.00 131 K 8.06 4.14 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.04 7.81 132 E 7.67 4.06 0.00 2.32 1.93 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 2.36 2.34 0.00 133 P 0.00 4.20 0.00 2.03 2.02 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 134 K 8.71 3.97 0.00 1.75 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.36 7.81 135 K 8.83 4.75 0.00 1.52 1.53 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.22 7.81 136 E 8.70 4.33 0.00 1.74 1.78 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 2.19 1.88 0.00 137 V 8.57 3.95 2.08 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 0.67 0.00 0.00 0.93 0.00 0.00 138 P 0.00 4.69 0.00 1.99 2.07 0.00 3.73 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 2.03 1.60 0.00 *139 F 10.93 4.05 0.00 2.20 2.35 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 0.00 140 D 8.57 4.38 0.00 2.66 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 0.00 141 R 8.02 4.12 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 142 L 7.29 4.19 0.00 1.72 1.49 0.92 0.73 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 0.00 143 K 7.94 4.47 0.00 1.74 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 0.96 7.81 144 R 8.01 3.50 0.00 1.85 1.77 0.00 3.24 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.00 145 K 7.82 5.10 0.00 1.83 1.87 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.03 7.81 * Residues marked with a * may have inaccurate shift predictions.