NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7862 8.2827 118.1312 52.0737 39.0106 174.4832 2 L 3.9192 8.3102 119.4972 57.7156 41.7136 177.3913 3 K 3.8337 8.8328 120.4500 59.4704 32.4897 178.2795 4 Q 4.0900 8.6988 118.9969 58.7155 28.5201 178.2521 5 F 4.4028 8.3817 121.7454 61.2568 39.2999 177.2251 6 K 3.6338 8.0288 118.0146 59.6414 31.8591 179.0944 7 N 4.4436 7.9732 116.1326 56.5626 38.3507 177.3764 8 M 4.1540 8.3998 120.4787 58.3772 32.0841 178.7663 9 I 3.6388 7.7416 120.3168 64.3225 37.1739 177.9707 10 Q 4.3502 7.7114 115.1711 57.5457 29.1254 176.9951 11 C 4.4117 8.2022 121.4245 59.9986 43.6536 175.0533 12 A 4.3305 7.6923 122.1734 53.1634 18.4621 176.4702 13 G 4.3200 7.8754 104.5385 44.2020 0.0000 172.4976 14 T 4.0196 8.4043 114.0304 65.8523 68.9729 175.6172 *17 R 4.1002 7.8298 117.1669 56.2274 31.4143 175.2999 18 T 4.5830 7.8234 111.3448 59.8361 71.0743 175.5011 19 W 4.5603 9.0072 118.6031 60.0985 27.6501 178.1675 20 T 3.3338 6.8595 109.7795 64.1509 67.6788 176.0548 21 S 3.9189 7.5280 114.8625 59.9851 62.3513 173.7399 22 Y 4.8307 7.8970 119.5460 57.7631 38.3806 176.9535 23 I 4.2746 7.6533 123.1453 63.1383 38.2976 177.1768 24 G 4.2381 7.7884 107.6568 44.0062 0.0000 170.3214 25 Y 4.4455 8.0058 119.9383 56.8049 42.4114 176.4735 26 G 3.7432 7.6749 114.8689 47.0954 0.0000 172.3363 27 C 4.4841 9.3507 114.8501 57.8536 38.2907 174.3708 28 Y 4.6475 8.8599 115.6854 57.2830 38.3533 174.6216 29 C 4.6980 8.2405 119.2649 57.8100 41.5126 172.7642 30 G 4.0660 8.8889 109.4640 44.3577 0.0000 172.2182 31 Y 4.0437 8.8371 122.2777 58.7779 40.5036 178.4958 32 G 3.5125 7.2482 112.6749 46.2126 0.0000 173.7223 33 G 4.0525 8.0424 112.0485 44.1612 0.0000 171.9160 34 S 4.5612 6.8656 113.7884 57.6930 66.0214 174.2805 35 G 3.8236 8.7904 107.2964 44.9001 0.0000 171.8723 36 T 4.4481 8.1041 115.1092 61.0168 69.7519 173.0614 37 P 4.6608 0.0000 0.0000 63.1055 31.6703 177.1071 38 V 3.7588 8.8561 117.0595 64.1514 31.9403 175.0624 39 D 4.5563 7.6822 117.1060 51.3288 41.7079 174.9804 40 E 3.9126 9.0373 118.6163 59.7937 29.2951 178.4910 41 L 4.0221 8.0122 119.4449 58.4852 42.0412 178.3106 42 D 4.5895 9.0413 118.1333 57.5906 41.1317 178.4682 43 R 3.9645 8.4938 119.0639 59.1025 30.0051 178.2987 44 C 4.3779 8.3933 116.5760 60.4621 40.6472 175.5571 45 C 4.5039 8.4880 118.0236 60.1035 35.1288 175.4926 46 Y 3.8670 8.4469 121.4126 61.0417 38.3331 178.4659 47 T 3.7803 8.1624 116.5324 66.8616 68.4968 176.0961 48 H 3.8625 8.2165 120.1023 59.2511 29.7822 176.9109 49 D 4.1639 7.9847 120.5296 57.8192 40.6920 178.6521 50 H 4.1418 7.6468 116.6863 58.6901 28.6267 177.0972 51 C 4.3520 8.1749 120.4990 59.9221 43.2564 175.2813 52 Y 4.1390 7.9324 117.2457 61.2409 37.4879 177.8528 53 N 4.4517 8.3359 117.8755 56.4886 39.0143 176.8849 54 K 3.8681 8.3013 119.6102 58.7167 32.2659 178.9571 55 A 3.6829 8.1907 121.0964 54.9513 17.9636 179.4595 56 A 4.1347 7.3211 118.2843 55.1094 18.4456 178.3809 57 N 4.4779 7.7641 111.5496 54.1047 38.4091 174.6653 58 I 4.3643 7.0652 119.8671 58.3358 39.2301 173.9757 59 P 4.2016 0.0000 0.0000 64.1172 31.6875 176.1642 60 G 3.9519 8.5844 109.0984 46.8167 0.0000 173.9128 61 C 4.7088 8.1612 118.0079 54.2470 46.1547 172.2654 62 N 4.9005 8.4270 126.1231 50.7312 40.2973 172.8315 63 P 3.8895 0.0000 0.0000 65.5293 31.4371 177.5039 64 L 4.2587 8.1123 118.6098 55.8219 41.9084 178.0403 65 I 4.2861 7.5196 109.1967 60.2569 39.3531 175.6791 66 K 3.8977 7.8992 123.3904 56.7825 32.1949 175.7948 67 T 4.2833 8.3811 123.6481 62.3146 69.4354 173.6677 68 Y 4.8875 7.9557 124.8391 55.2418 40.8986 174.3642 69 S 5.1416 9.3801 116.1076 57.2541 64.8605 173.5206 70 Y 5.3290 8.3603 120.9495 56.5924 40.7593 173.5105 71 T 4.4399 9.0498 114.4658 60.2996 71.4096 171.5314 72 C 5.4171 8.6646 125.9535 55.2557 44.3760 174.2153 73 T 4.3942 9.0515 123.8281 60.6321 68.2325 170.9507 74 K 4.2054 7.7828 122.0304 55.7979 32.1348 173.5978 75 P 5.4966 0.0000 0.0000 61.8948 31.8103 174.1704 76 N 4.9080 8.8396 118.4968 52.8403 39.4064 173.8694 77 I 5.0614 8.2407 123.5340 59.9501 39.6817 175.1632 78 T 4.6445 8.8786 122.3683 61.9944 72.0597 172.2266 79 C 4.8708 8.8674 124.1908 56.3703 40.6504 173.4958 80 N 4.4412 9.0952 121.8510 55.0437 39.2050 176.1049 81 D 4.5627 8.1702 118.2249 54.8129 41.6673 174.9459 82 T 4.4637 8.3621 117.7603 65.6046 71.0641 175.8289 83 S 4.1646 8.2188 115.1922 61.6995 63.0573 175.8426 84 D 4.5764 7.8592 123.2337 53.6283 39.5866 176.0403 85 S 4.1343 8.4588 122.4692 61.4202 63.0539 176.6238 86 C 4.2261 8.2403 120.2014 59.5662 44.4675 175.1732 87 A 4.0752 8.5713 122.5572 55.3960 18.1336 179.5924 88 R 3.7643 8.3168 117.4363 59.3792 30.1496 178.4794 89 F 3.9873 8.5269 120.7409 61.3698 39.4212 177.0309 90 I 3.6843 7.9327 118.3438 64.1536 37.7130 176.9917 91 C 2.9860 8.0464 119.5236 59.0497 43.4360 175.1330 92 D 4.0111 7.5854 119.4833 57.2374 40.8024 177.2305 93 C 3.9051 7.6493 116.9722 60.3436 38.3169 175.9617 94 D 3.8158 8.0040 120.0342 57.1743 40.3142 179.0320 95 R 3.7701 8.0277 119.3559 59.6528 30.0351 178.5237 96 T 3.7249 7.9270 115.5380 66.5570 68.4552 176.3814 97 A 3.4993 7.7745 122.0694 54.9288 18.4938 179.2681 98 A 3.6207 8.0722 119.6492 55.5668 18.3853 180.0255 99 I 3.6811 7.9515 118.4170 64.4352 37.1730 177.8367 100 C 4.2564 8.3173 119.6850 59.7330 43.2557 175.5940 101 F 4.3211 8.3201 118.2421 60.6657 38.5202 177.2001 102 A 4.2435 7.8287 118.9448 55.3195 18.3288 179.4629 103 S 4.2915 8.0703 111.4830 59.3774 63.4933 174.7156 104 A 4.7435 7.5641 124.1619 49.6364 19.4024 175.5098 105 P 4.4017 0.0000 0.0000 62.8301 32.0965 175.8978 106 Y 4.2258 8.3360 121.6038 55.9803 38.6191 175.0791 107 N 4.7224 8.7036 126.4747 51.8303 38.1175 176.5779 108 I 3.7446 8.3975 118.4938 63.4927 37.7916 178.1835 109 N 4.3829 8.1323 117.4556 55.5055 38.7492 175.2199 110 N 4.5715 8.4862 115.3425 52.6861 38.7967 174.3164 111 I 3.8787 7.0707 119.2108 61.7934 38.5328 175.7498 112 M 3.1282 7.9874 122.6506 56.5885 29.2148 176.8902 113 I 4.5499 6.9590 108.9754 59.7943 39.8110 178.0810 114 S 4.0065 8.2261 115.3000 60.6570 62.6720 174.6687 115 A 4.4576 7.7842 121.6338 51.8062 19.3352 176.5828 116 S 4.5225 7.9619 112.3500 56.8596 64.6797 175.1216 117 T 3.8545 8.3737 114.1270 65.1045 67.2083 175.8719 118 S 4.1027 7.8720 116.6991 61.4419 62.7823 174.5718 119 C 4.6205 7.7785 113.2755 55.7486 40.6936 173.9028 120 Q 3.6471 7.6010 124.2335 56.4418 29.0880 173.5551 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 N 8.28 4.79 0.00 3.07 3.00 0.00 0.00 5.73 5.79 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 2 L 8.31 3.92 0.00 1.83 1.71 1.20 0.46 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 3 K 8.83 3.83 0.00 1.76 1.86 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.44 7.81 4 Q 8.70 4.09 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 5 F 8.38 4.40 0.00 3.34 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 6 K 8.03 3.63 0.00 1.75 1.52 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.02 7.81 7 N 7.97 4.44 0.00 3.06 3.04 0.00 0.00 7.10 8.56 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 8 M 8.40 4.15 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 9 I 7.74 3.64 2.04 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 1.15 0.00 0.00 10 Q 7.71 4.35 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 11 C 8.20 4.41 0.00 3.23 3.37 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 12 A 7.69 4.33 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 13 G 7.88 4.32 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 0.00 14 T 8.40 4.02 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 1.18 0.00 0.00 *17 R 7.83 4.10 0.00 1.77 1.54 0.00 2.92 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.45 0.00 18 T 7.82 4.58 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 1.29 0.00 0.00 19 W 9.01 4.56 0.00 3.68 3.30 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 20 T 6.86 3.33 3.71 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 -0.24 0.00 0.00 21 S 7.53 3.92 0.00 3.44 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 22 Y 7.90 4.83 0.00 3.01 2.72 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 23 I 7.65 4.27 2.00 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 1.50 0.54 0.98 0.00 0.00 24 G 7.79 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 0.00 0.00 0.00 0.00 25 Y 8.01 4.45 0.00 2.92 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 26 G 7.67 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 0.00 0.00 0.00 27 C 9.35 4.48 0.00 3.09 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 28 Y 8.86 4.65 0.00 3.30 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 8.24 4.70 0.00 3.38 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 30 G 8.89 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 31 Y 8.84 4.04 0.00 3.02 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 32 G 7.25 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 0.00 0.00 0.00 33 G 8.04 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 34 S 6.87 4.56 0.00 3.95 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 35 G 8.79 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 36 T 8.10 4.45 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 1.16 0.00 0.00 37 P 0.00 4.66 0.00 1.90 2.13 0.00 3.36 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.46 0.00 38 V 8.86 3.76 2.06 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 0.70 0.00 0.00 0.97 0.00 0.00 39 D 7.68 4.56 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 40 E 9.04 3.91 0.00 2.09 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 2.44 2.42 0.00 41 L 8.01 4.02 0.00 1.86 1.75 0.67 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.04 4.59 0.00 3.21 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 43 R 8.49 3.96 0.00 2.15 1.99 0.00 3.16 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 44 C 8.39 4.38 0.00 3.57 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 45 C 8.49 4.50 0.00 3.40 3.47 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 46 Y 8.45 3.87 0.00 2.74 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 47 T 8.16 3.78 4.41 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 1.17 0.00 0.00 48 H 8.22 3.86 0.00 3.11 3.33 0.00 5.59 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 49 D 7.98 4.16 0.00 2.95 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 50 H 7.65 4.14 0.00 3.08 3.21 0.00 5.62 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 51 C 8.17 4.35 0.00 3.05 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 52 Y 7.93 4.14 0.00 2.95 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 53 N 8.34 4.45 0.00 3.05 2.98 0.00 0.00 7.29 6.74 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 54 K 8.30 3.87 0.00 2.24 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.72 7.81 55 A 8.19 3.68 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 0.00 0.00 0.00 0.00 0.00 56 A 7.32 4.13 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 57 N 7.76 4.48 0.00 2.76 2.77 0.00 0.00 6.88 6.75 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 58 I 7.07 4.36 1.84 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.20 0.81 0.00 0.00 59 P 0.00 4.20 0.00 2.00 1.96 0.00 3.76 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 1.99 2.05 0.00 60 G 8.58 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 61 C 8.16 4.71 0.00 3.04 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 62 N 8.43 4.90 0.00 2.67 2.58 0.00 0.00 6.88 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 63 P 0.00 3.89 0.00 0.66 1.46 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 64 L 8.11 4.26 0.00 1.76 1.78 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.52 4.29 1.84 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 1.40 0.62 0.89 0.00 0.00 66 K 7.90 3.90 0.00 1.98 1.76 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.58 7.81 67 T 8.38 4.28 4.20 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 1.15 0.00 0.00 68 Y 7.96 4.89 0.00 3.15 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 69 S 9.38 5.14 0.00 3.97 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 70 Y 8.36 5.33 0.00 3.11 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 71 T 9.05 4.44 4.18 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 1.23 0.00 0.00 72 C 8.66 5.42 0.00 3.16 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 73 T 9.05 4.39 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 1.22 0.00 0.00 74 K 7.78 4.21 0.00 1.74 1.77 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.72 7.81 75 P 0.00 5.50 0.00 2.27 2.25 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 76 N 8.84 4.91 0.00 2.84 2.79 0.00 0.00 6.89 6.19 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 77 I 8.24 5.06 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 1.47 0.63 0.98 0.00 0.00 78 T 8.88 4.64 4.28 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 1.23 0.00 0.00 79 C 8.87 4.87 0.00 2.78 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 80 N 9.10 4.44 0.00 2.65 2.90 0.00 0.00 7.10 8.34 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 81 D 8.17 4.56 0.00 2.69 2.63 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 82 T 8.36 4.46 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 1.22 0.00 0.00 83 S 8.22 4.16 0.00 3.87 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 84 D 7.86 4.58 0.00 2.73 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 85 S 8.46 4.13 0.00 3.89 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 86 C 8.24 4.23 0.00 2.96 3.23 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 87 A 8.57 4.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.32 3.76 0.00 2.08 2.14 0.00 3.10 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 89 F 8.53 3.99 0.00 3.20 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 90 I 7.93 3.68 1.95 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 1.62 1.05 1.21 0.00 0.00 91 C 8.05 2.99 0.00 2.14 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 92 D 7.59 4.01 0.00 2.80 2.44 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 93 C 7.65 3.91 0.00 3.13 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 94 D 8.00 3.82 0.00 2.70 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 95 R 8.03 3.77 0.00 1.78 1.80 0.00 3.05 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 96 T 7.93 3.72 4.28 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 1.11 0.00 0.00 97 A 7.77 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.07 3.62 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 99 I 7.95 3.68 1.81 0.00 0.00 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 1.39 0.57 0.90 0.00 0.00 100 C 8.32 4.26 0.00 3.11 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 0.00 101 F 8.32 4.32 0.00 2.92 2.60 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 0.00 102 A 7.83 4.24 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 0.00 103 S 8.07 4.29 0.00 3.91 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 0.00 104 A 7.56 4.74 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 0.00 105 P 0.00 4.40 0.00 2.25 2.12 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 106 Y 8.34 4.23 0.00 2.87 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 0.00 107 N 8.70 4.72 0.00 2.88 3.01 0.00 0.00 6.53 7.26 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 0.00 108 I 8.40 3.74 1.94 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 1.47 0.67 1.11 0.00 0.00 109 N 8.13 4.38 0.00 2.67 2.89 0.00 0.00 6.84 8.00 0.00 0.00 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 N 8.49 4.57 0.00 2.25 2.19 0.00 0.00 6.82 8.28 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 0.00 111 I 7.07 3.88 1.82 0.00 0.00 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 1.34 0.50 1.01 0.00 0.00 112 M 7.99 3.13 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 113 I 6.96 4.55 1.79 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 1.39 1.22 0.83 0.00 0.00 114 S 8.23 4.01 0.00 3.94 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 0.00 115 A 7.78 4.46 1.27 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 0.00 0.00 116 S 7.96 4.52 0.00 3.96 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 0.00 117 T 8.37 3.85 4.23 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 1.19 0.00 0.00 118 S 7.87 4.10 0.00 3.89 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 0.00 119 C 7.78 4.62 0.00 3.04 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 0.00 120 Q 7.60 3.65 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.