NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9642 8.3549 109.7356 45.2808 0.0000 174.6178 1 M 4.6165 7.6580 116.9833 54.0851 33.4574 175.8948 2 S 4.2743 8.3669 119.0483 61.3999 63.8430 176.3014 3 G 3.6033 8.0216 108.1263 47.9882 0.0000 175.7179 4 I 3.7896 7.6859 122.0404 63.7943 36.6875 178.4611 5 K 3.9413 8.0847 119.4800 59.7264 31.9681 179.5905 6 S 4.1958 8.2823 115.4290 61.2879 62.7212 176.4507 7 L 3.9547 8.0272 123.1846 58.2588 41.6288 178.9687 8 E 4.0347 8.2091 117.5459 59.0062 29.4647 178.8047 9 L 4.1137 7.6295 119.6830 57.9009 41.9590 178.5384 10 L 3.9779 7.6355 119.2174 58.0943 42.1119 178.3302 11 L 4.1986 7.6984 115.9859 55.0430 41.9495 177.0444 12 Q 4.4429 6.9757 118.6426 54.4015 30.0457 175.6676 13 S 4.2669 8.3504 115.2404 58.8146 62.7254 174.0999 14 M 4.2268 8.6487 124.8207 55.2748 32.9604 176.0378 15 S 3.8454 8.1835 115.5823 58.9145 60.9049 170.0101 16 P 4.9533 0.0000 0.0000 62.8164 32.7516 177.4459 17 E 4.6717 8.9939 118.9150 54.5823 33.1518 173.9302 18 L 4.7449 8.5187 125.2340 54.4418 42.8379 175.9470 19 M 4.5676 8.9340 126.6065 54.0588 33.3755 176.3830 20 A 4.0837 8.4350 123.6267 53.3628 19.2755 178.0258 21 G 3.9398 8.8079 108.2949 45.0788 0.0000 172.7036 22 D 5.1840 8.3683 121.0715 52.8007 43.1219 175.0736 23 Y 5.2931 9.3029 120.5947 56.3604 41.8837 175.1427 24 V 5.1834 9.1352 114.8530 59.8582 36.1967 174.4582 25 F 5.0499 9.2534 121.8532 56.4758 40.4102 175.0727 26 C 5.0289 8.9366 119.8097 58.1925 32.5674 172.7611 27 T 5.0419 8.4753 115.0099 60.6610 69.6794 173.3704 28 V 4.5936 8.4780 119.3250 60.0651 36.6123 173.7862 29 N 5.0065 8.5369 119.2152 52.7861 40.6385 174.1835 30 G 3.8679 8.9342 106.6547 44.3245 0.0000 173.2692 31 A 4.3993 8.3953 120.9867 51.0436 19.5017 178.5420 32 L 4.1422 8.6074 121.4296 58.3895 41.7738 179.6638 33 S 4.1543 8.1111 112.9209 61.4106 62.8628 175.6719 34 D 4.3713 7.9372 120.7159 55.8105 40.7884 176.3481 35 Y 4.7029 7.7874 115.7565 57.2814 39.3915 177.1315 36 L 4.0438 8.2218 122.2687 57.9724 41.8577 179.6334 37 S 4.1117 8.0766 111.4148 61.2596 62.8426 175.2214 38 L 4.0772 7.8074 118.5537 55.2063 42.0408 176.4284 39 E 3.8006 8.2115 118.3718 56.3128 27.2593 173.4033 40 P 4.4617 0.0000 0.0000 63.0249 32.3552 177.2240 41 I 4.0379 8.3043 121.9796 63.6544 38.6332 175.3744 42 A 4.8496 7.6788 121.4052 50.9352 23.1048 175.1204 43 T 5.0114 8.1337 114.2009 62.4989 72.9273 173.5142 44 F 4.3306 9.1358 128.0719 56.6524 42.8969 173.5816 45 R 4.4384 8.2167 127.4809 55.6891 29.1470 175.5332 46 E 4.6053 9.0082 124.9651 54.7452 30.5681 176.5936 47 P 4.2694 0.0000 0.0000 65.7771 31.4676 177.6711 48 E 4.0812 8.0930 115.5163 57.2480 30.0679 175.8570 49 G 4.3173 7.4633 105.3321 42.3366 0.0000 172.2520 50 L 4.5417 8.0973 123.0344 55.1724 43.1039 175.9639 51 T 4.8328 9.6201 125.1409 63.1397 70.1316 173.6868 52 L 4.9984 8.7845 125.9816 52.7928 45.3279 175.4644 53 V 4.3115 8.3384 123.7492 61.1357 33.2596 174.5181 54 L 5.2593 8.5632 126.7864 52.5553 46.6100 176.2901 55 E 4.1129 8.6504 119.2186 56.0710 30.4701 178.3862 56 A 3.9842 8.6538 123.4709 55.6767 18.3829 180.3912 57 E 3.9530 8.0416 116.5678 59.3851 29.3619 179.6004 58 K 3.9953 7.9464 117.2393 59.1850 32.5831 178.8858 59 A 4.1395 7.9347 120.8049 55.0907 18.2876 179.4102 60 Q 3.8873 8.1165 118.0438 59.1422 29.6957 178.2385 61 Q 4.3822 8.2637 120.1519 55.1165 28.3221 176.2935 62 A 4.4227 7.9918 115.4389 52.4754 22.7131 176.9493 63 G 3.8788 8.3936 104.6670 46.6444 0.0000 174.3104 64 L 4.4389 7.4972 118.1060 52.6549 42.9662 176.6549 65 E 3.8447 8.6755 120.6078 56.6494 29.2680 177.5751 66 S 4.1650 8.5366 119.6732 58.0053 62.4654 174.0692 67 S 4.3835 8.4064 120.3004 57.1081 63.1897 173.2771 68 A 4.0700 8.1998 125.2240 51.8524 18.7584 177.1771 69 L 4.4458 8.2378 121.4487 54.7540 43.0077 176.0425 70 F 5.4963 9.6889 122.5577 56.0375 42.0897 175.0005 71 S 5.1600 9.5246 118.4481 57.3567 65.5114 172.7278 72 L 4.3288 8.4538 124.2148 53.3317 44.0875 174.8819 73 I 4.9338 8.6126 127.1377 59.8065 40.3511 174.5730 74 T 4.7982 8.7306 123.6208 61.8202 71.1375 173.4996 75 L 4.7212 7.9721 125.8430 53.8223 42.2423 176.8647 76 T 3.8431 8.4100 114.2702 64.0506 69.5983 176.6975 77 V 3.4521 7.6636 111.0849 64.4400 31.8791 178.1406 *80 S 4.0861 9.1493 116.1097 58.6488 63.8067 172.7032 81 L 4.0878 8.3382 126.6497 56.7287 41.7013 177.4640 82 E 4.4173 7.6536 114.7182 55.8592 30.1253 176.3939 83 A 4.4545 7.4974 124.5642 49.5846 18.1218 176.1319 84 V 3.6309 8.0597 119.2790 63.4212 31.6261 176.6156 85 G 3.9278 8.9631 111.1797 46.0255 0.0000 175.7812 86 L 4.0058 7.7429 119.8705 58.3585 42.0605 178.8764 87 T 2.7397 7.7640 114.9953 66.1935 68.3382 176.1243 88 A 3.7945 7.7806 121.8689 55.0566 18.4388 179.2471 89 A 3.8865 7.5654 119.3558 55.3674 18.5550 179.9251 90 F 4.2783 8.0232 112.7175 59.9567 38.0236 177.4980 91 A 4.0308 7.2639 121.3480 55.1471 18.0424 179.6008 92 T 3.8031 7.9831 114.3643 66.8412 68.3039 176.9582 93 K 4.3017 7.6989 120.2467 58.8146 32.3668 179.2686 94 L 4.1691 8.1032 119.0130 57.8751 41.6275 179.2551 95 A 4.0128 8.0878 120.6029 55.4124 17.7755 179.1840 96 E 3.8741 8.3577 117.1346 59.3869 29.1943 178.5725 97 H 4.9341 7.8311 113.4071 54.6668 29.5258 174.4873 98 G 3.8581 8.1120 107.9013 46.8251 0.0000 174.2716 99 I 4.3789 7.8173 120.4833 59.1129 38.4971 176.0139 100 S 4.4966 8.5492 121.6665 58.1617 63.7160 173.5420 101 A 5.0111 8.1694 123.6170 50.5231 22.5421 175.2910 102 N 4.7757 9.2075 119.1210 51.7739 40.0777 174.4918 103 V 4.7456 8.4121 124.2263 60.4492 33.6207 175.5250 104 I 4.5970 8.8720 124.9530 59.2550 39.9854 174.7109 105 A 4.5866 8.9247 130.3080 51.7223 18.6517 177.3342 106 G 4.0584 8.6964 112.1449 44.4248 0.0000 172.8051 107 Y 3.9045 8.7080 119.9354 60.5341 38.7639 176.7073 108 Y 4.4260 8.0383 114.7418 59.5541 39.1373 175.1297 109 H 5.0304 7.7540 114.2846 53.8065 33.2340 171.5577 110 D 4.9498 8.2622 120.2422 53.9855 42.5380 175.2602 111 H 5.1433 8.9315 119.5323 53.9687 32.0368 172.7983 112 I 4.6346 8.9496 124.6963 59.4510 39.9788 174.4879 113 F 5.2896 9.2839 126.4632 56.1813 40.6855 175.4075 114 V 5.0316 8.5973 117.1463 59.0011 35.5082 175.4018 115 Q 4.0826 8.8571 120.9174 56.4699 28.8808 178.0879 116 K 4.1215 8.8384 124.2525 59.0484 32.3762 178.5023 117 E 4.1441 8.1033 116.4953 57.9463 29.6216 177.9820 118 K 4.7862 8.3511 119.1102 55.2654 32.4634 177.8087 119 A 4.0098 7.6464 123.9302 55.5984 18.3381 180.5259 120 Q 4.0109 8.0156 115.9775 59.0729 28.7327 178.7411 121 Q 4.1665 8.0665 118.6070 58.6352 28.7476 178.3395 122 A 4.0082 8.3096 122.1543 55.0897 18.4903 179.3326 123 L 3.8971 7.8957 117.5649 58.4769 41.5353 180.0605 124 Q 3.9968 7.8623 116.0043 58.7870 28.6843 178.2796 125 A 4.0279 7.9251 121.1581 54.9973 18.7483 179.2603 126 L 4.3209 8.3272 117.5728 56.8699 41.8339 177.7837 127 G 4.2995 7.9406 105.0178 45.0294 0.0000 170.8160 128 E 4.3415 8.6296 117.4153 56.9614 32.5818 175.6832 129 F 4.3233 7.9926 122.7125 57.7349 39.1271 175.8038 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 0 G 8.35 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 1 M 7.66 4.62 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 2 S 8.37 4.27 0.00 3.85 3.90 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 G 8.02 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 4 I 7.69 3.79 1.98 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 1.63 0.82 0.95 0.00 0.00 5 K 8.08 3.94 0.00 2.10 1.85 0.00 1.55 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 6 S 8.28 4.20 0.00 4.05 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 7 L 8.03 3.95 0.00 1.76 1.81 0.91 0.74 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 8 E 8.21 4.03 0.00 2.13 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 2.35 2.42 0.00 9 L 7.63 4.11 0.00 1.80 1.84 0.94 0.48 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 10 L 7.64 3.98 0.00 1.79 1.91 0.92 1.01 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 11 L 7.70 4.20 0.00 1.68 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 6.98 4.44 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 13 S 8.35 4.27 0.00 3.87 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 14 M 8.65 4.23 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 15 S 8.18 3.85 0.00 3.98 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 16 P 0.00 4.95 0.00 2.03 2.00 0.00 3.71 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 1.97 2.11 0.00 17 E 8.99 4.67 0.00 1.96 1.99 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 2.32 2.17 0.00 18 L 8.52 4.74 0.00 1.65 1.62 0.97 0.97 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 19 M 8.93 4.57 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 20 A 8.44 4.08 1.28 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 0.00 0.00 21 G 8.81 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 22 D 8.37 5.18 0.00 2.55 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 23 Y 9.30 5.29 0.00 3.30 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 24 V 9.14 5.18 2.22 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 0.99 0.00 0.00 1.03 0.00 0.00 25 F 9.25 5.05 0.00 2.83 2.94 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 26 C 8.94 5.03 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.48 5.04 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 28 V 8.48 4.59 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 0.59 0.00 0.00 0.34 0.00 0.00 29 N 8.54 5.01 0.00 2.63 2.78 0.00 0.00 7.14 7.65 0.00 0.00 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 8.93 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 0.00 0.00 0.00 31 A 8.40 4.40 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 32 L 8.61 4.14 0.00 1.79 1.72 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.11 4.15 0.00 4.05 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 34 D 7.94 4.37 0.00 2.46 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 0.00 0.00 0.00 0.00 35 Y 7.79 4.70 0.00 2.99 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 36 L 8.22 4.04 0.00 1.71 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.08 4.11 0.00 3.97 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 38 L 7.81 4.08 0.00 1.84 1.82 1.15 1.41 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 39 E 8.21 3.80 0.00 2.06 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 2.29 2.37 0.00 40 P 0.00 4.46 0.00 2.32 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 41 I 8.30 4.04 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.94 0.00 0.00 42 A 7.68 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.13 5.01 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 1.16 0.00 0.00 44 F 9.14 4.33 0.00 3.14 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 45 R 8.22 4.44 0.00 1.76 1.70 0.00 3.25 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 46 E 9.01 4.61 0.00 2.37 2.14 0.00 0.00 0.00 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 2.46 0.00 47 P 0.00 4.27 0.00 2.07 2.16 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 48 E 8.09 4.08 0.00 1.96 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 2.38 0.00 49 G 7.46 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 50 L 8.10 4.54 0.00 1.70 1.44 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 51 T 9.62 4.83 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 1.21 0.00 0.00 52 L 8.78 5.00 0.00 1.40 1.41 0.57 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.34 4.31 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 -0.00 0.00 0.00 -0.32 0.00 0.00 54 L 8.56 5.26 0.00 1.61 1.50 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.65 4.11 0.00 1.93 1.68 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 1.88 2.23 0.00 56 A 8.65 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 57 E 8.04 3.95 0.00 2.00 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 2.38 2.37 0.00 58 K 7.95 4.00 0.00 1.71 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.51 7.81 59 A 7.93 4.14 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 60 Q 8.12 3.89 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.16 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 61 Q 8.26 4.38 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 62 A 7.99 4.42 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 63 G 8.39 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 64 L 7.50 4.44 0.00 1.91 1.62 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.68 3.84 0.00 1.98 1.96 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 2.34 2.27 0.00 66 S 8.54 4.16 0.00 3.99 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 67 S 8.41 4.38 0.00 4.03 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 68 A 8.20 4.07 1.02 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 0.00 0.00 69 L 8.24 4.45 0.00 1.57 1.62 0.94 1.07 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 70 F 9.69 5.50 0.00 3.47 3.35 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 71 S 9.52 5.16 0.00 3.82 3.84 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 72 L 8.45 4.33 0.00 1.13 1.35 -0.07 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.61 4.93 1.76 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 1.18 0.84 0.82 0.00 0.00 74 T 8.73 4.80 4.30 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 1.13 0.00 0.00 75 L 7.97 4.72 0.00 1.32 1.50 0.71 0.28 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 76 T 8.41 3.84 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 77 V 7.66 3.45 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 0.65 0.00 0.00 1.02 0.00 0.00 *80 S 9.15 4.09 0.00 3.83 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 81 L 8.34 4.09 0.00 1.43 1.59 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.65 4.42 0.00 1.92 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 2.21 2.22 0.00 83 A 7.50 4.45 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 84 V 8.06 3.63 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 0.72 0.00 0.00 0.91 0.00 0.00 85 G 8.96 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 0.00 0.00 0.00 86 L 7.74 4.01 0.00 1.89 1.73 1.03 0.88 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 87 T 7.76 2.74 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 0.91 0.00 0.00 88 A 7.78 3.79 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 89 A 7.57 3.89 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 90 F 8.02 4.28 0.00 3.26 3.34 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 91 A 7.26 4.03 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 92 T 7.98 3.80 4.40 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 1.19 0.00 0.00 93 K 7.70 4.30 0.00 2.00 2.13 0.00 1.75 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.54 7.81 94 L 8.10 4.17 0.00 1.79 1.96 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.09 4.01 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 E 8.36 3.87 0.00 2.26 1.81 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 2.27 2.42 0.00 97 H 7.83 4.93 0.00 3.14 3.29 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.11 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 0.00 0.00 0.00 99 I 7.82 4.38 2.03 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 1.45 0.87 0.97 0.00 0.00 100 S 8.55 4.50 0.00 3.90 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 0.00 101 A 8.17 5.01 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 0.00 102 N 9.21 4.78 0.00 2.29 2.45 0.00 0.00 6.73 7.47 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 0.00 103 V 8.41 4.75 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 0.93 0.00 0.00 1.16 0.00 0.00 104 I 8.87 4.60 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.15 1.03 0.00 0.00 105 A 8.92 4.59 1.33 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 0.00 0.00 0.00 106 G 8.70 4.06 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 0.00 107 Y 8.71 3.90 0.00 2.79 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 0.00 108 Y 8.04 4.43 0.00 3.07 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 0.00 109 H 7.75 5.03 0.00 3.02 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.26 4.95 0.00 2.30 2.27 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 0.00 111 H 8.93 5.14 0.00 3.20 2.94 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.95 4.63 1.70 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.29 0.93 0.00 0.00 113 F 9.28 5.29 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 0.00 114 V 8.60 5.03 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 0.79 0.00 0.00 1.01 0.00 0.00 115 Q 8.86 4.08 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 116 K 8.84 4.12 0.00 1.92 1.81 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.45 7.81 117 E 8.10 4.14 0.00 1.94 1.99 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 2.29 2.44 0.00 118 K 8.35 4.79 0.00 1.91 1.82 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.29 7.81 119 A 7.65 4.01 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 0.00 120 Q 8.02 4.01 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 121 Q 8.07 4.17 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 122 A 8.31 4.01 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 0.00 123 L 7.90 3.90 0.00 2.03 1.75 0.90 0.77 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 0.00 124 Q 7.86 4.00 0.00 2.17 2.12 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 2.39 2.46 0.00 125 A 7.93 4.03 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 0.00 126 L 8.33 4.32 0.00 1.75 1.72 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.94 4.30 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 0.00 128 E 8.63 4.34 0.00 1.84 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 1.47 1.88 0.00 129 F 7.99 4.32 0.00 3.08 2.97 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.