NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.0841 8.2493 123.5449 51.8064 19.9750 175.8593 4 R 4.4783 7.9281 117.3403 53.5022 32.8082 173.0918 5 I 3.3387 8.4639 123.9114 61.7275 37.5614 176.4738 6 S 4.5742 9.1747 122.0160 59.1974 64.8334 173.7817 7 L 5.1965 7.3313 117.2186 52.9919 46.4836 175.1998 8 F 5.1893 9.0010 120.7035 55.7331 41.3483 174.6333 9 A 5.1094 9.2523 125.1969 50.1098 22.3231 175.1519 10 V 4.8865 8.6365 114.1560 59.5083 35.2920 174.9307 11 V 4.5017 8.3961 124.5053 61.9065 32.5013 175.5584 12 V 4.5704 8.6736 121.2747 59.6561 34.5096 177.0114 13 E 3.9287 8.9942 123.4529 58.6859 29.9499 177.2321 14 D 4.5792 7.7799 117.3829 51.5696 43.9365 174.9854 15 M 3.9120 8.7155 126.7957 58.8813 32.3429 177.7824 16 A 3.9154 7.9537 120.1721 55.0445 18.4674 179.5859 17 K 3.9359 8.8371 117.4539 59.5503 32.2630 179.5553 18 S 4.2411 8.0902 113.3586 61.5734 62.3284 176.2286 19 L 3.7345 7.9070 121.7421 57.4318 40.9950 178.9682 20 E 3.8787 7.9940 118.6227 59.2626 29.7047 178.3907 21 F 4.1306 7.9686 120.4904 61.7793 39.5625 176.8369 22 Y 3.9980 8.1651 115.6419 60.7919 37.6430 178.4203 23 R 4.1283 8.3806 119.6730 59.2961 29.9235 179.1074 24 K 4.0542 7.6374 116.9857 58.3714 31.9149 178.2155 25 L 4.5242 7.3735 117.5693 54.1444 42.1826 177.2419 26 G 3.9083 7.8571 106.3400 45.4427 0.0000 174.5659 27 V 3.6719 7.5125 119.8195 62.4091 31.9408 175.6103 28 E 4.2344 8.7388 128.2231 55.4874 28.6499 175.0919 29 I 4.4708 7.9249 126.8792 58.3482 39.1685 174.1237 30 P 4.1405 0.0000 0.0000 62.5338 31.8237 175.6265 31 A 3.9428 8.3825 124.4820 53.7175 18.7989 177.1331 32 E 3.7368 8.8981 118.5254 57.3055 27.1716 175.9305 33 A 4.3293 7.5212 120.5071 53.2678 18.6100 180.0798 34 D 4.3517 7.9550 115.4736 56.5558 40.9780 177.2515 35 S 4.5301 7.4542 111.7674 58.0037 63.2814 174.0159 36 A 4.3436 7.6196 124.7302 51.0001 19.1559 176.3983 37 P 4.4922 0.0000 0.0000 65.4091 32.9323 175.6771 38 H 5.3618 7.9484 119.6311 55.1043 32.7244 172.6243 39 T 4.8473 9.0098 121.7688 61.8350 72.4628 172.8012 40 E 5.3668 8.9125 122.6273 54.6215 33.5008 174.8422 41 A 4.9307 9.5273 124.5785 50.1758 22.4943 175.1375 42 V 4.3462 8.4523 120.9636 61.8587 32.8662 175.3361 43 L 4.8289 8.8666 130.0625 53.2039 44.7604 176.4208 *44 D 4.5310 8.5414 119.4493 54.9922 40.0986 177.7635 45 G 4.0011 8.4606 111.4108 44.1964 0.0000 174.4073 46 G 4.0663 8.0238 106.6889 45.0521 0.0000 174.3105 47 I 4.1015 7.6906 120.5747 61.5830 38.4790 175.1877 48 R 5.0967 8.7745 123.5497 54.3984 33.8420 174.3998 49 L 4.8494 8.6290 123.8420 53.5666 43.9466 175.1687 50 A 5.1841 8.7161 127.4008 49.8043 22.8584 174.6407 51 W 5.2688 9.1507 119.0245 54.9537 32.9968 174.4460 52 D 5.4394 8.9876 123.5089 52.4110 44.0701 175.7952 53 T 4.3838 8.6621 113.5391 61.4181 69.9307 175.5839 54 V 2.8774 8.0826 122.0007 66.2032 31.1403 178.1904 55 E 3.8866 7.9695 116.4130 59.7322 29.7485 179.0506 56 T 3.9907 7.3500 114.0976 66.7391 68.5174 176.7977 57 V 3.0315 7.5961 119.9648 65.9219 30.4802 178.0944 58 R 4.1852 8.0081 117.2235 58.2009 29.6714 178.7958 59 S 4.4012 7.6526 113.6604 60.4607 63.1366 174.2922 60 Y 4.7088 7.0326 114.4968 56.1632 39.8896 175.0902 61 D 4.8728 7.7039 120.5010 51.5867 40.8510 174.1111 62 P 4.4020 0.0000 0.0000 65.0830 31.9917 178.6043 63 E 4.0418 8.2092 117.7257 58.2584 29.5792 176.9872 64 W 4.0576 8.0412 129.2027 57.8389 31.1543 175.0492 65 Q 4.2473 7.4975 123.0166 53.4222 32.0323 175.7568 66 A 3.3658 7.8590 125.7655 51.5058 18.2263 177.7480 *70 G 3.7567 8.0508 107.5266 46.0118 0.0000 172.8532 71 H 4.5660 8.7422 115.8051 55.6645 29.5075 175.4509 72 R 4.9738 8.8765 119.5565 56.3104 31.3805 175.1838 73 F 5.6069 8.2750 112.7657 56.0928 41.1063 173.1193 74 A 4.5179 9.2413 120.2463 50.4697 23.2176 174.9206 75 I 4.6358 8.3039 119.8935 59.3567 40.0788 174.6033 76 A 5.2607 8.6903 129.0492 50.1889 21.6621 174.9252 77 F 4.9168 9.5768 122.0555 55.6472 41.6647 174.5590 78 E 3.8877 8.7679 125.0423 54.6796 29.8367 174.7651 79 F 5.0581 8.6109 124.7375 54.7573 42.1321 174.9713 80 P 4.3335 0.0000 0.0000 65.2153 31.4609 175.5617 81 D 4.6821 7.2182 116.6575 52.2248 42.6496 175.4915 82 T 3.9278 8.4527 109.4558 64.4984 69.4028 176.7448 83 A 3.9808 7.9547 123.6078 54.9368 18.2215 179.5698 84 S 4.0405 8.7685 114.2643 61.3516 62.7636 177.0959 85 V 2.7496 7.2642 120.9666 65.8649 31.2054 177.7054 86 D 4.3610 7.8891 118.1175 57.1848 40.6099 178.7726 87 K 3.8794 7.8394 119.8356 59.4252 32.2827 178.9036 88 K 3.9034 8.1007 120.3266 59.4653 31.9207 177.8751 89 Y 3.9520 8.3436 120.0743 60.8655 38.6479 178.2775 90 A 4.0176 8.3954 121.6764 54.9857 18.3361 179.2749 91 E 3.9995 8.5694 117.5931 59.7934 29.6963 179.7389 92 L 4.1427 8.2403 119.1953 57.8569 41.6099 179.8230 93 V 3.8485 8.1487 120.0970 65.0897 31.2825 177.3941 94 D 4.4625 8.3585 117.2082 55.0356 39.5655 177.5250 95 A 4.1156 7.4353 121.4678 52.6337 18.6372 177.8201 96 G 3.8016 7.9159 104.7396 45.2466 0.0000 174.0519 97 Y 4.4030 7.5459 117.7675 57.0806 39.0380 174.1682 98 E 4.2489 8.7757 123.2069 55.9947 30.7377 175.6048 99 G 4.2130 8.6635 115.1752 45.6873 0.0000 171.8642 100 H 4.9607 9.6583 125.9368 57.4985 31.5826 175.1847 101 L 4.8804 7.9871 118.6441 52.5010 45.1916 176.4383 102 K 3.5168 8.8266 123.4531 55.6385 33.5283 175.0172 103 P 4.7147 0.0000 0.0000 63.3896 31.9086 175.6229 104 W 5.2175 8.9458 119.4867 55.1157 32.2241 173.6843 105 N 4.7244 8.7713 118.7327 52.4142 38.3996 175.0263 106 A 3.9643 8.0818 128.1269 50.7279 19.3072 178.4792 107 V 3.4791 7.8334 120.3132 65.0052 31.7312 176.8272 108 W 4.6138 7.1052 115.0682 56.4171 28.3414 176.4548 109 G 4.0745 8.5735 107.9382 45.5241 0.0000 173.0809 110 Q 4.9402 7.1926 116.7460 53.3602 33.5544 174.4617 111 R 4.2347 8.7164 124.0976 56.6200 31.2522 174.6873 112 Y 5.0205 8.3223 126.3293 55.9842 42.6441 173.4753 113 A 5.2566 8.5093 125.9292 50.8870 23.6106 175.0093 114 I 5.2581 9.1914 119.6147 59.8603 41.2560 175.3652 115 V 5.0335 9.0231 119.2332 59.5236 35.6772 174.4027 116 K 5.1506 8.9121 121.5291 54.6265 34.8389 176.7226 117 D 4.5845 8.9203 124.4060 51.8484 40.5576 175.3632 118 P 4.4004 0.0000 0.0000 65.1443 31.2362 177.2044 119 D 4.7452 8.8572 116.8388 53.8744 40.8516 177.3496 120 G 4.0024 8.1822 107.3724 45.1395 0.0000 174.0165 121 N 4.5551 8.0693 117.1186 53.0268 40.3753 174.0850 122 V 4.3432 7.8589 121.7629 62.0611 33.4155 174.6558 123 V 4.8750 8.8134 127.7357 61.3114 34.3373 173.7610 124 D 5.2704 9.3521 128.4088 53.0847 43.0639 175.3968 125 L 5.5893 8.7845 122.9472 52.9966 44.6380 175.6152 126 F 5.4282 9.1794 117.4174 55.9347 41.9235 172.9902 127 A 5.0075 8.9381 120.5613 49.6205 22.8294 174.0224 128 P 4.8315 0.0000 0.0000 62.6311 32.1552 176.3235 129 L 4.2289 8.5293 123.7486 53.7079 42.4065 175.5590 130 P 4.3831 0.0000 0.0000 63.2882 31.0353 176.0581 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 3 A 8.25 4.08 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.93 4.48 0.00 1.75 1.89 0.00 2.71 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 5 I 8.46 3.34 1.55 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.17 0.00 0.00 6 S 9.17 4.57 0.00 3.86 4.03 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 7 L 7.33 5.20 0.00 1.44 1.36 0.81 1.05 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 8 F 9.00 5.19 0.00 2.84 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 9 A 9.25 5.11 1.16 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 0.00 0.00 10 V 8.64 4.89 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 0.59 0.00 0.00 0.58 0.00 0.00 11 V 8.40 4.50 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 -0.08 0.00 0.00 0.75 0.00 0.00 12 V 8.67 4.57 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 1.06 0.00 0.00 1.02 0.00 0.00 13 E 8.99 3.93 0.00 1.99 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 2.39 2.31 0.00 14 D 7.78 4.58 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.72 3.91 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.84 0.00 16 A 7.95 3.92 1.32 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 0.00 0.00 17 K 8.84 3.94 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 18 S 8.09 4.24 0.00 4.05 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 19 L 7.91 3.73 0.00 1.54 1.41 0.74 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.99 3.88 0.00 2.07 2.19 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 2.33 2.32 0.00 21 F 7.97 4.13 0.00 3.02 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 22 Y 8.17 4.00 0.00 3.36 3.31 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 23 R 8.38 4.13 0.00 1.96 1.96 0.00 3.09 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 24 K 7.64 4.05 0.00 1.58 1.68 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.51 7.81 25 L 7.37 4.52 0.00 1.65 1.62 0.45 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.86 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 0.00 0.00 0.00 27 V 7.51 3.67 2.41 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 0.99 0.00 0.00 1.17 0.00 0.00 28 E 8.74 4.23 0.00 1.97 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 2.30 2.41 0.00 29 I 7.92 4.47 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.67 0.00 0.00 30 P 0.00 4.14 0.00 2.14 2.00 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 31 A 8.38 3.94 1.22 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 32 E 8.90 3.74 0.00 2.19 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 2.27 2.27 0.00 33 A 7.52 4.33 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 34 D 7.95 4.35 0.00 2.64 2.71 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 35 S 7.45 4.53 0.00 3.88 3.87 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 36 A 7.62 4.34 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 37 P 0.00 4.49 0.00 2.12 2.31 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 38 H 7.95 5.36 0.00 3.00 3.10 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.01 4.85 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 40 E 8.91 5.37 0.00 1.84 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 0.00 2.17 2.25 0.00 41 A 9.53 4.93 1.52 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 0.00 0.00 42 V 8.45 4.35 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 0.85 0.00 0.00 0.96 0.00 0.00 43 L 8.87 4.83 0.00 1.90 1.57 0.95 1.06 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 *44 D 8.54 4.53 0.00 2.69 2.47 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 0.00 45 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 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 47 I 7.69 4.10 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 1.09 0.00 0.00 48 R 8.77 5.10 0.00 1.72 1.88 0.00 3.30 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 49 L 8.63 4.85 0.00 1.57 1.29 0.46 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.72 5.18 1.05 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 51 W 9.15 5.27 0.00 3.15 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 52 D 8.99 5.44 0.00 2.48 2.45 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 53 T 8.66 4.38 4.35 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 1.19 0.00 0.00 54 V 8.08 2.88 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 1.01 0.00 0.00 0.61 0.00 0.00 55 E 7.97 3.89 0.00 1.91 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 2.30 2.45 0.00 56 T 7.35 3.99 4.36 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 1.19 0.00 0.00 57 V 7.60 3.03 1.61 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 0.71 0.00 0.00 0.70 0.00 0.00 58 R 8.01 4.19 0.00 1.96 1.95 0.00 3.23 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 59 S 7.65 4.40 0.00 4.17 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 60 Y 7.03 4.71 0.00 3.03 3.27 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 61 D 7.70 4.87 0.00 2.65 2.46 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 62 P 0.00 4.40 0.00 2.22 2.16 0.00 3.83 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 63 E 8.21 4.04 0.00 2.10 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 2.34 2.32 0.00 64 W 8.04 4.06 0.00 3.34 3.15 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 65 Q 7.50 4.25 0.00 1.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 66 A 7.86 3.37 1.25 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 0.00 0.00 *70 G 8.05 3.76 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 0.00 0.00 0.00 71 H 8.74 4.57 0.00 3.44 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.88 4.97 0.00 1.99 2.20 0.00 3.22 0.00 0.00 3.50 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 73 F 8.27 5.61 0.00 3.23 3.01 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 74 A 9.24 4.52 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 75 I 8.30 4.64 1.94 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.33 0.00 0.00 76 A 8.69 5.26 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 77 F 9.58 4.92 0.00 2.94 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 78 E 8.77 3.89 0.00 1.43 1.47 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 1.93 1.58 0.00 79 F 8.61 5.06 0.00 2.84 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 80 P 0.00 4.33 0.00 2.18 2.18 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 81 D 7.22 4.68 0.00 2.81 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 82 T 8.45 3.93 4.17 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 1.17 0.00 0.00 83 A 7.95 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 84 S 8.77 4.04 0.00 4.10 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 85 V 7.26 2.75 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 0.83 0.00 0.00 0.66 0.00 0.00 86 D 7.89 4.36 0.00 2.90 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 87 K 7.84 3.88 0.00 1.95 1.93 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.58 7.81 88 K 8.10 3.90 0.00 1.76 1.40 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.46 7.81 89 Y 8.34 3.95 0.00 2.99 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 90 A 8.40 4.02 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 91 E 8.57 4.00 0.00 2.21 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 2.33 2.40 0.00 92 L 8.24 4.14 0.00 1.53 1.74 0.81 0.65 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 93 V 8.15 3.85 1.88 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 1.07 0.00 0.00 0.32 0.00 0.00 94 D 8.36 4.46 0.00 2.80 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 95 A 7.44 4.12 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 96 G 7.92 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 97 Y 7.55 4.40 0.00 3.15 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 98 E 8.78 4.25 0.00 2.12 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 2.46 2.37 0.00 99 G 8.66 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 0.00 100 H 9.66 4.96 0.00 3.22 3.68 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.99 4.88 0.00 1.92 1.61 1.01 0.74 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 0.00 102 K 8.83 3.52 0.00 1.51 1.77 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 103 P 0.00 4.71 0.00 1.94 1.89 0.00 3.27 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 104 W 8.95 5.22 0.00 3.26 3.15 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 0.00 105 N 8.77 4.72 0.00 2.57 2.71 0.00 0.00 6.91 7.35 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 0.00 106 A 8.08 3.96 -0.82 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 0.00 107 V 7.83 3.48 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 0.90 0.00 0.00 0.95 0.00 0.00 108 W 7.11 4.61 0.00 3.30 3.21 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 0.00 109 G 8.57 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 0.00 110 Q 7.19 4.94 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 111 R 8.72 4.23 0.00 1.84 1.71 0.00 3.02 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 112 Y 8.32 5.02 0.00 2.08 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 0.00 113 A 8.51 5.26 1.10 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 0.00 114 I 9.19 5.26 2.26 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.41 1.16 0.00 0.00 115 V 9.02 5.03 2.16 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 0.74 0.00 0.00 0.96 0.00 0.00 116 K 8.91 5.15 0.00 1.60 1.71 0.00 1.86 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 117 D 8.92 4.58 0.00 2.76 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 0.00 118 P 0.00 4.40 0.00 2.12 2.26 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 119 D 8.86 4.75 0.00 2.82 2.74 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 0.00 120 G 8.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.56 0.00 2.98 2.61 0.00 0.00 6.69 7.68 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 0.00 122 V 7.86 4.34 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 0.88 0.00 0.00 0.80 0.00 0.00 123 V 8.81 4.88 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 1.24 0.00 0.00 0.97 0.00 0.00 124 D 9.35 5.27 0.00 2.63 2.20 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 0.00 125 L 8.78 5.59 0.00 1.43 1.46 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.18 5.43 0.00 3.20 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 0.00 127 A 8.94 5.01 1.25 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 0.00 0.00 128 P 0.00 4.83 0.00 2.13 2.16 0.00 3.79 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 2.02 2.06 0.00 129 L 8.53 4.23 0.00 1.67 1.61 0.87 0.77 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 0.00 130 P 0.00 4.38 0.00 2.16 2.04 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.