NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3381 8.1593 117.3731 62.5299 69.8907 173.5169 2 P 4.1941 0.0000 0.0000 62.5808 31.8135 174.8342 3 Q 4.2706 8.4288 119.3528 56.5636 30.2000 175.7791 4 N 4.7666 7.3107 114.7787 50.8530 40.0704 174.8726 5 I 3.7155 8.2363 116.8869 64.3456 38.0113 177.6624 6 T 3.8452 7.9356 116.3443 66.5714 68.0583 176.1386 7 D 4.2649 8.8555 119.9151 57.4364 41.1019 178.1928 8 L 4.1980 8.0822 119.7206 58.2026 41.6011 179.0731 9 C 4.3911 8.7921 118.0991 59.6869 43.5790 175.3009 10 A 3.9463 7.5303 119.3807 54.0563 18.0044 178.4912 11 E 3.8927 7.4607 115.9021 56.8604 29.8107 175.6022 12 Y 4.8138 7.0934 115.6777 56.3540 40.6834 174.2091 13 H 5.0204 8.7780 116.9890 55.8863 30.5502 176.0418 14 N 4.4676 9.0313 118.4657 53.9273 36.2671 174.3095 15 T 4.7301 7.5607 107.7931 62.0980 70.1764 173.8335 16 Q 4.5431 8.2289 120.6174 55.4110 32.9593 173.5282 17 I 4.5704 8.4177 126.9724 61.5582 38.9159 175.4507 18 H 4.6997 8.6633 121.3737 54.9130 32.5929 173.1772 19 T 4.3901 8.5868 120.7864 63.7798 68.8454 173.4833 20 L 4.2827 8.9993 123.8987 55.7617 43.8836 178.5795 21 N 4.1990 7.8780 112.7111 53.6324 37.0307 173.5985 22 D 4.8495 7.6222 113.8888 52.5775 44.7396 174.0702 23 K 4.8319 8.4891 122.3334 55.8110 33.8945 176.7009 24 I 2.9793 8.0541 121.2748 61.3200 37.4594 176.2058 25 F 4.5618 8.7969 128.7918 60.6495 39.9555 175.3668 26 S 4.2447 7.7178 111.0903 56.5922 66.2878 172.1427 27 Y 4.8397 7.6373 124.2936 56.1259 41.5663 174.2070 28 T 4.4325 8.4670 123.1267 61.4965 72.0826 172.6128 29 E 4.8588 8.4006 125.4786 54.3542 33.0898 174.5469 30 S 4.6943 9.2341 121.0134 56.3295 65.8063 173.9274 31 L 4.5516 8.5710 125.0444 55.1510 40.8073 175.9752 32 A 3.9197 8.1107 122.6198 53.6368 18.8132 178.8840 33 G 3.4121 8.8480 112.3151 45.8819 0.0000 175.0436 *34 K 3.8881 8.8722 123.7626 56.2865 29.7130 172.0465 *35 D 5.0140 8.0425 116.4697 53.5526 40.8937 180.9441 36 E 4.5507 8.3417 121.8928 58.0313 28.7182 176.2271 37 M 5.0135 8.9466 120.6929 53.2354 35.7706 173.9116 38 A 5.0566 8.4156 119.5891 50.1334 22.7616 175.0459 39 I 4.8842 8.7405 122.0508 59.3437 41.1647 174.6686 40 I 5.1535 8.9005 119.8719 59.3434 40.8690 174.4846 41 T 5.2842 8.4208 112.8389 60.3797 72.9156 172.5336 42 F 5.1207 8.9621 120.8459 55.3441 42.1479 176.8267 43 K 3.5790 8.4127 121.7047 59.5492 31.8950 177.5417 44 N 4.4580 8.1483 113.4156 53.6650 37.2563 174.8487 45 G 3.9870 8.0642 107.0208 45.4384 0.0000 174.4009 46 A 3.8758 8.4571 122.1112 52.7217 19.4270 176.7165 47 T 4.9571 7.9619 118.3885 61.7697 71.1686 173.4884 48 F 5.3049 9.5993 125.2064 55.6448 43.4494 174.0357 49 Q 5.1683 8.9415 117.5177 54.6949 32.7112 173.7581 50 V 4.7792 7.9698 119.9652 60.6414 32.8621 175.4509 51 E 4.1319 9.1497 125.9399 56.4690 29.8433 176.4839 52 V 3.8730 8.0893 119.5858 61.3087 32.2967 173.8720 53 P 4.2608 0.0000 0.0000 63.0951 31.8287 175.7744 54 G 3.8371 9.0290 111.2810 47.5396 0.0000 175.5836 55 S 3.2458 7.5007 110.7272 60.1127 64.8326 174.4821 56 Q 4.0332 7.7239 119.9288 59.4428 28.9185 177.3714 57 H 4.7867 7.8645 115.5934 55.1620 30.3877 172.9834 58 I 4.4874 8.0559 119.5074 61.2605 36.1065 176.1153 59 D 4.7720 8.8597 117.6262 55.9938 41.7229 177.3538 60 S 4.2013 7.9883 114.0430 61.2808 62.7070 175.7650 61 Q 3.8959 8.0100 122.4459 58.2921 29.1646 177.5696 62 K 4.0383 8.1097 120.0764 58.5400 32.1938 178.5764 63 K 4.2780 7.9680 116.8977 57.8364 33.0959 178.3980 64 A 4.0840 7.4451 122.6303 55.0451 18.5199 179.5505 65 I 3.6654 7.5731 118.5747 64.5420 37.2399 178.5135 66 E 3.9777 7.7257 118.7170 59.4162 29.2333 179.3671 67 R 3.9041 7.9442 118.6098 59.5313 30.1049 178.1767 68 M 4.0188 8.3544 118.3323 58.6940 32.1649 178.4078 69 K 4.1034 8.0713 118.4140 59.5164 32.1904 179.1513 70 D 4.3407 8.0179 119.0813 57.6108 40.7599 178.9166 71 T 3.8869 8.2593 116.6265 66.6067 68.3657 176.8347 72 L 4.0473 8.1424 120.9828 57.5957 41.6038 179.3286 73 R 3.0820 8.1024 118.8339 59.4135 30.0777 178.5511 74 I 3.5850 7.8419 117.8103 63.6059 37.9108 177.7729 75 A 4.0624 7.9026 123.4449 54.4025 18.2505 178.9290 76 Y 3.8846 8.2201 118.3919 60.8797 38.7001 178.2826 77 L 3.6417 7.7086 118.8137 57.5281 42.0056 178.8094 78 T 4.0742 7.9464 107.4338 60.8640 69.7093 174.1036 79 E 3.5493 7.5527 120.1805 57.4798 27.4825 174.5298 80 A 4.3544 7.8187 119.1566 51.1488 20.1807 178.8416 81 K 4.1862 8.5958 123.1822 56.2160 33.7109 176.0972 82 V 3.9900 8.4655 122.1601 60.9969 32.4513 176.5806 83 E 4.0068 9.2974 128.1780 58.5602 30.1847 176.4424 84 K 5.1458 7.9786 115.6324 54.7447 37.6410 174.6968 85 L 4.9203 8.6394 120.3458 53.2835 46.1520 174.8680 86 C 4.8695 9.0035 124.4058 55.3300 40.9943 172.6683 87 V 4.7787 8.6252 119.9551 59.1829 35.2296 175.6795 88 W 4.9982 9.2026 124.9746 55.9270 28.6534 176.9673 89 N 4.0910 9.0102 123.1413 54.1935 36.7760 175.9466 90 N 4.6221 8.1782 115.5089 53.6866 38.1123 174.6185 91 K 4.6805 7.8421 118.8690 55.2792 34.9800 175.6391 92 T 4.6746 8.0890 116.7393 61.7366 71.3259 172.3693 93 P 4.3647 0.0000 0.0000 62.6148 32.6234 176.1408 94 H 4.7349 9.2217 119.0174 55.8790 29.7441 174.8434 95 A 4.7925 9.0733 125.0099 52.2070 19.9399 175.7243 96 I 4.4581 8.1870 120.4845 60.1266 37.8799 175.6574 97 A 3.8228 8.2734 128.3174 52.7754 20.6569 176.4084 98 A 4.4898 7.1671 114.2214 51.1929 22.6713 175.2267 99 I 5.0957 8.0965 118.5526 59.3441 41.7068 174.4318 100 S 4.8455 8.8039 121.1761 56.8422 66.2778 172.6858 101 M 5.3480 8.6866 120.4043 53.6366 35.6751 174.9171 102 A 4.4113 8.1953 121.7896 51.8403 22.0459 175.8595 103 N 4.5790 8.9914 120.1521 54.0345 39.6490 173.8465 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 T 8.16 4.34 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 2 P 0.00 4.19 0.00 2.45 2.19 0.00 3.76 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 1.99 2.13 0.00 3 Q 8.43 4.27 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 4 N 7.31 4.77 0.00 2.89 2.89 0.00 0.00 5.87 7.57 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 5 I 8.24 3.72 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.88 0.00 0.00 6 T 7.94 3.85 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 7 D 8.86 4.26 0.00 2.55 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 8 L 8.08 4.20 0.00 2.00 1.81 0.94 1.21 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 9 C 8.79 4.39 0.00 3.15 3.19 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 10 A 7.53 3.95 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 11 E 7.46 3.89 0.00 1.62 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 0.00 0.00 0.00 2.11 2.15 0.00 12 Y 7.09 4.81 0.00 3.18 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 13 H 8.78 5.02 0.00 3.28 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.03 4.47 0.00 3.13 3.19 0.00 0.00 6.83 7.05 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 15 T 7.56 4.73 4.29 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 1.38 0.00 0.00 16 Q 8.23 4.54 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 17 I 8.42 4.57 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.87 0.00 0.00 18 H 8.66 4.70 0.00 3.17 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.59 4.39 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 1.26 0.00 0.00 20 L 9.00 4.28 0.00 1.41 1.27 0.39 0.90 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 21 N 7.88 4.20 0.00 2.84 2.87 0.00 0.00 6.86 7.34 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 22 D 7.62 4.85 0.00 2.95 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 23 K 8.49 4.83 0.00 1.94 1.85 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.57 7.81 24 I 8.05 2.98 2.00 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 0.97 0.51 0.92 0.00 0.00 25 F 8.80 4.56 0.00 3.12 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 26 S 7.72 4.24 0.00 3.55 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 27 Y 7.64 4.84 0.00 2.34 1.85 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 28 T 8.47 4.43 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 1.07 0.00 0.00 29 E 8.40 4.86 0.00 1.63 1.70 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 2.14 2.24 0.00 30 S 9.23 4.69 0.00 3.79 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 31 L 8.57 4.55 0.00 1.76 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.11 3.92 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 33 G 8.85 3.41 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 0.00 *34 K 8.87 3.89 0.00 1.87 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 0.98 7.81 *35 D 8.04 5.01 0.00 2.61 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 36 E 8.34 4.55 0.00 1.82 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 2.32 2.38 0.00 37 M 8.95 5.01 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 38 A 8.42 5.06 1.18 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 0.00 0.00 39 I 8.74 4.88 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.94 0.00 0.00 40 I 8.90 5.15 1.85 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 1.04 0.00 0.00 41 T 8.42 5.28 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 1.23 0.00 0.00 42 F 8.96 5.12 0.00 3.17 3.13 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 0.00 0.00 0.00 43 K 8.41 3.58 0.00 1.93 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 0.99 7.81 44 N 8.15 4.46 0.00 2.86 2.95 0.00 0.00 6.28 7.00 0.00 0.00 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 8.06 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 0.00 0.00 0.00 46 A 8.46 3.88 1.23 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 0.00 0.00 47 T 7.96 4.96 4.09 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 1.17 0.00 0.00 48 F 9.60 5.30 0.00 2.98 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 49 Q 8.94 5.17 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 50 V 7.97 4.78 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 0.86 0.00 0.00 1.00 0.00 0.00 51 E 9.15 4.13 0.00 2.19 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 0.00 2.51 2.41 0.00 52 V 8.09 3.87 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 0.94 0.00 0.00 0.99 0.00 0.00 53 P 0.00 4.26 0.00 2.21 2.03 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 54 G 9.03 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 0.00 0.00 0.00 55 S 7.50 3.25 0.00 3.88 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 56 Q 7.72 4.03 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.91 0.00 0.00 0.00 0.00 0.00 1.99 1.79 0.00 57 H 7.86 4.79 0.00 3.27 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.06 4.49 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.92 0.00 0.00 59 D 8.86 4.77 0.00 2.77 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 60 S 7.99 4.20 0.00 4.06 4.15 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 61 Q 8.01 3.90 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 62 K 8.11 4.04 0.00 2.09 1.85 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 63 K 7.97 4.28 0.00 1.98 2.05 0.00 1.50 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 64 A 7.45 4.08 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 65 I 7.57 3.67 2.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.91 0.00 0.00 66 E 7.73 3.98 0.00 2.30 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 2.50 2.47 0.00 67 R 7.94 3.90 0.00 1.92 2.10 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 68 M 8.35 4.02 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 69 K 8.07 4.10 0.00 2.07 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.72 7.81 70 D 8.02 4.34 0.00 3.01 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 71 T 8.26 3.89 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 1.21 0.00 0.00 72 L 8.14 4.05 0.00 1.96 1.85 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.10 3.08 0.00 1.64 1.91 0.00 3.02 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.07 0.00 74 I 7.84 3.59 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 1.00 0.00 0.00 75 A 7.90 4.06 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 76 Y 8.22 3.88 0.00 3.03 2.99 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 77 L 7.71 3.64 0.00 1.53 1.59 0.86 0.90 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 78 T 7.95 4.07 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 1.22 0.00 0.00 79 E 7.55 3.55 0.00 2.06 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 2.08 2.04 0.00 80 A 7.82 4.35 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 81 K 8.60 4.19 0.00 1.89 1.74 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.52 7.81 82 V 8.47 3.99 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 1.04 0.00 0.00 1.05 0.00 0.00 83 E 9.30 4.01 0.00 2.06 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 2.28 2.27 0.00 84 K 7.98 5.15 0.00 1.71 1.56 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.36 7.81 85 L 8.64 4.92 0.00 1.13 1.12 0.25 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 86 C 9.00 4.87 0.00 2.89 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 87 V 8.63 4.78 2.40 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 0.53 0.00 0.00 1.19 0.00 0.00 88 W 9.20 5.00 0.00 3.36 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 89 N 9.01 4.09 0.00 2.73 3.00 0.00 0.00 6.99 8.19 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 90 N 8.18 4.62 0.00 2.87 3.02 0.00 0.00 5.94 7.13 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 91 K 7.84 4.68 0.00 2.05 1.81 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.67 7.81 92 T 8.09 4.67 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 1.18 0.00 0.00 93 P 0.00 4.36 0.00 1.96 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 94 H 9.22 4.73 0.00 3.32 3.51 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.07 4.79 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 96 I 8.19 4.46 1.88 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 1.14 1.00 0.84 0.00 0.00 97 A 8.27 3.82 -0.17 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 0.00 0.00 98 A 7.17 4.49 1.09 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 0.00 0.00 99 I 8.10 5.10 1.83 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 1.39 0.95 0.89 0.00 0.00 100 S 8.80 4.85 0.00 3.89 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 0.00 101 M 8.69 5.35 0.00 1.88 1.96 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 2.49 2.53 0.00 102 A 8.20 4.41 1.19 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 0.00 0.00 103 N 8.99 4.58 0.00 2.82 3.02 0.00 0.00 7.08 7.56 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 * Residues marked with a * may have inaccurate shift predictions.