NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3573 8.3344 115.2896 57.5337 63.9634 172.1686 -1 N 4.4978 7.6500 116.0466 53.0586 41.9722 171.0176 0 A 4.7730 7.9279 122.6459 51.2840 21.2279 177.3668 0 S 4.9230 7.9979 114.5459 57.0840 65.9279 174.1668 3 L 4.1799 7.7506 119.9510 54.8115 42.2648 176.3880 4 E 4.0972 8.8333 123.3943 56.5888 30.7109 175.2598 5 K 4.8996 8.8075 129.0299 55.5966 33.0422 175.5230 6 L 4.6349 8.7899 128.7626 53.4869 43.4387 176.3311 7 D 4.7548 8.2552 121.9182 51.7821 42.1687 177.2546 8 T 3.8362 8.3579 115.1849 66.8477 68.1766 176.1884 9 N 4.2665 8.1154 118.1159 57.3309 39.0081 176.9650 10 T 3.9894 8.5456 117.2364 66.1225 68.3559 176.6727 11 F 3.6736 8.2178 122.8222 61.1853 39.4226 176.6722 12 E 4.1688 8.7626 118.5180 59.8414 29.3481 179.1151 13 Q 4.0945 8.0885 117.6967 59.3940 28.7736 179.7961 14 L 3.7934 7.7605 119.3267 57.6755 41.7653 179.6719 15 I 3.2189 7.1119 119.8568 64.0339 36.0925 177.9688 16 Y 4.3172 7.0406 117.1508 60.9745 37.8787 177.8845 17 D 4.6440 7.9915 117.7202 56.9557 41.2040 177.3456 18 E 4.2462 8.2981 116.5301 55.7285 30.3460 176.2362 19 G 3.9840 7.5151 107.9092 45.8108 0.0000 173.2220 20 K 4.2440 7.9336 120.0604 56.1294 33.1539 176.1301 21 A 4.4444 8.5305 129.1885 52.0247 19.5232 175.9859 22 C 3.7205 8.4758 116.8176 57.3132 33.7512 172.6755 23 L 4.9835 8.2018 118.9247 54.1824 43.4081 176.2428 24 V 4.7191 8.2279 119.5191 60.6143 35.6419 173.0975 *26 F 4.7664 8.5063 116.7781 57.9184 40.5610 174.4331 27 S 4.9543 9.1658 117.6605 57.4833 66.3516 172.0934 28 R 4.9283 8.4055 120.6390 54.1884 32.8437 176.6012 29 K 3.9027 8.9112 122.9281 59.5912 32.1554 178.0635 30 N 4.6246 7.9533 112.3324 53.4249 39.2209 175.1749 31 C 4.1987 7.5779 120.2229 59.3739 32.1135 172.9342 32 H 4.3612 8.8993 129.2452 58.9748 29.7012 177.0372 33 V 3.6122 7.8654 119.3188 66.2691 31.2806 177.4320 34 C 4.1527 8.1372 115.8677 63.1230 27.8265 175.9584 35 Q 3.9497 8.3329 119.5213 58.7511 27.9798 178.8274 36 K 4.0788 7.4975 119.7259 58.8287 32.6493 178.5105 37 V 3.8828 7.6635 118.1434 65.2636 31.4698 177.8838 38 T 3.8555 8.0175 116.0125 66.4948 68.3220 174.6633 39 P 4.2248 0.0000 0.0000 65.2415 31.3489 178.9473 40 V 3.5975 7.6904 117.0503 65.9032 31.5500 177.9650 41 L 4.1223 7.8908 118.3706 57.5894 41.2596 179.1784 42 E 3.8141 8.0873 117.8867 59.3582 29.6020 178.6129 43 E 4.0057 8.2410 119.2710 59.3947 29.7045 178.8872 44 L 4.0212 7.8822 118.9093 57.7287 41.5484 179.2173 45 R 2.5785 7.3057 118.5653 59.2244 29.5383 178.5388 46 L 4.0052 7.2762 117.6975 57.5004 41.6219 178.7500 47 N 4.4415 7.9136 115.5795 54.8257 38.5755 175.2117 48 Y 4.7866 7.3946 117.8503 58.3571 38.9252 177.5697 49 E 3.4966 7.8721 114.2491 60.1416 30.5940 177.5558 50 E 4.2870 8.4738 122.5779 58.7711 30.7486 178.4832 51 S 4.3660 8.2009 112.5456 61.0047 63.0641 174.1942 52 F 4.8046 8.0505 122.4698 56.9687 42.3930 174.1134 53 G 3.5908 8.3861 113.8833 45.6009 0.0000 172.9627 54 F 4.7883 7.7248 119.2560 55.7546 41.5136 173.5136 55 Y 5.2023 8.8591 121.5880 56.1493 42.0898 174.1507 56 Y 4.9188 8.9167 120.6102 56.0472 42.5317 173.8147 57 V 4.0447 7.7653 125.5336 60.6492 34.5101 173.5853 58 D 4.6489 7.7699 127.9111 53.8234 41.3389 177.0478 59 V 3.5831 8.6603 121.1315 63.9916 31.5026 178.0710 60 E 4.0317 8.4363 120.0923 59.0047 29.5641 178.0590 61 E 4.1255 8.2895 117.1178 58.0903 30.7148 176.9477 62 E 4.6756 8.0883 118.2962 54.9245 29.4737 176.7455 63 K 4.1440 7.8565 122.8864 59.7662 32.8936 177.5832 64 T 3.8689 7.9824 115.5900 66.7921 68.2838 176.1502 65 L 3.9076 7.9057 120.0045 57.7266 41.5993 178.8745 66 F 4.3423 8.3467 120.6048 61.9801 39.1923 177.3907 67 Q 3.8126 8.4876 117.3133 58.3684 28.2573 178.1613 68 R 3.6468 8.1006 119.6957 59.4989 30.0098 177.5525 69 F 4.3714 7.3487 113.6202 56.2611 39.3221 175.3210 70 S 3.5493 7.7652 112.3631 58.9739 61.2503 172.1953 71 L 4.2933 6.8284 117.3232 53.9394 42.3581 177.2787 72 K 4.6886 8.4508 120.5875 55.2221 33.2262 176.2314 73 G 4.2049 7.8867 107.1671 45.9708 0.0000 172.9133 74 V 4.6811 7.9249 117.7694 59.1654 34.4567 172.9158 75 P 4.9517 0.0000 0.0000 63.0798 32.8675 174.9085 76 Q 4.9953 8.8737 119.6692 54.3521 32.8807 174.5960 77 I 4.7945 8.5211 122.9707 59.6484 39.9613 174.3148 78 L 5.2725 9.0547 127.3247 53.1689 44.1039 175.0380 79 Y 5.1600 9.1030 120.4907 56.3119 41.0635 174.8568 80 F 5.5653 9.0826 120.7361 54.8159 43.6640 173.9608 81 K 4.9436 8.6001 121.4461 56.2100 35.1424 175.1652 82 D 4.5258 9.6823 122.2354 55.4268 38.9368 175.2956 83 G 4.5383 8.4841 104.7262 45.2608 0.0000 174.0747 84 E 4.7152 8.2764 120.0327 54.9044 31.0855 174.8504 85 Y 4.6233 8.8280 123.4805 57.2828 38.7875 174.8709 86 K 4.3649 8.9645 127.4557 56.0230 34.1634 176.7865 87 G 3.9021 7.3339 107.4123 46.3809 0.0000 171.3304 88 K 5.9362 8.3898 120.0551 55.5689 35.6142 174.4655 *90 A 4.2252 8.4372 123.5017 53.0634 19.7932 178.5048 91 G 3.8439 8.8615 108.2716 45.1121 0.0000 174.4174 92 D 4.6309 8.3659 115.1269 53.8321 39.3241 177.1744 93 V 3.9542 7.7648 116.3373 60.6418 33.0114 176.2043 94 E 4.6792 8.3638 121.6974 54.8278 32.5696 177.2095 95 D 4.4189 8.6036 122.1206 56.6147 39.3574 177.9977 96 D 4.3752 8.2354 119.0416 57.4762 40.8313 178.2647 97 E 3.9544 8.1668 116.9521 59.5276 29.6428 179.4278 98 V 3.9833 7.3560 118.3578 64.4053 31.7797 177.8332 99 E 4.1752 8.8700 119.7098 58.9470 29.2915 179.9623 100 Q 3.8374 8.1212 117.6859 56.5087 28.9030 177.9374 *102 I 3.4586 7.7788 120.1336 60.6086 39.0340 178.0266 103 A 3.9163 7.7065 120.5342 55.1127 18.2881 178.9755 104 D 4.4035 8.3827 117.8771 57.5413 40.5689 179.3590 105 V 3.6172 7.5368 118.0279 66.0591 31.5212 177.8873 106 L 3.9459 8.0962 117.2060 56.8184 41.4231 178.2967 107 E 4.0900 8.1880 119.0338 58.6210 30.2187 175.2617 108 D 4.6972 7.4340 121.5068 52.9966 40.9577 174.6284 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 -2 S 8.33 4.36 0.00 3.85 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 -1 N 7.65 4.50 0.00 2.74 2.63 0.00 0.00 6.92 7.08 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 A 7.93 4.77 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 0 S 8.00 4.92 0.00 3.63 3.56 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 3 L 7.75 4.18 0.00 1.68 1.74 0.95 1.02 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 4 E 8.83 4.10 0.00 2.20 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 0.00 2.53 2.41 0.00 5 K 8.81 4.90 0.00 2.01 1.78 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.44 7.81 6 L 8.79 4.63 0.00 1.43 1.50 0.45 0.66 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 7 D 8.26 4.75 0.00 2.85 2.76 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 8 T 8.36 3.84 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 1.25 0.00 0.00 9 N 8.12 4.27 0.00 2.82 2.80 0.00 0.00 7.18 7.22 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 10 T 8.55 3.99 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 1.06 0.00 0.00 11 F 8.22 3.67 0.00 3.01 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 12 E 8.76 4.17 0.00 2.32 2.15 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 2.73 2.68 0.00 13 Q 8.09 4.09 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 14 L 7.76 3.79 0.00 1.24 1.30 0.31 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.11 3.22 0.56 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 -0.30 -0.22 -0.57 0.00 0.00 16 Y 7.04 4.32 0.00 3.22 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 17 D 7.99 4.64 0.00 2.88 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 18 E 8.30 4.25 0.00 2.03 1.95 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 2.26 2.34 0.00 19 G 7.52 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 0.00 0.00 0.00 20 K 7.93 4.24 0.00 1.74 1.61 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.34 7.81 21 A 8.53 4.44 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 22 C 8.48 3.72 0.00 2.67 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 23 L 8.20 4.98 0.00 1.00 1.12 0.89 1.02 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 24 V 8.23 4.72 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 1.26 0.00 0.00 1.11 0.00 0.00 *26 F 8.51 4.77 0.00 3.13 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 27 S 9.17 4.95 0.00 4.03 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 0.00 28 R 8.41 4.93 0.00 1.90 1.74 0.00 3.17 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 29 K 8.91 3.90 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 30 N 7.95 4.62 0.00 2.72 2.86 0.00 0.00 6.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.58 4.20 0.00 2.85 2.87 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 32 H 8.90 4.36 0.00 3.27 3.32 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.87 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 34 C 8.14 4.15 0.00 3.18 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 35 Q 8.33 3.95 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 36 K 7.50 4.08 0.00 1.70 1.99 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.60 1.43 7.81 37 V 7.66 3.88 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 1.04 0.00 0.00 0.99 0.00 0.00 38 T 8.02 3.86 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 1.13 0.00 0.00 39 P 0.00 4.22 0.00 2.14 2.07 0.00 3.72 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 2.09 2.10 0.00 40 V 7.69 3.60 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 1.12 0.00 0.00 1.00 0.00 0.00 41 L 7.89 4.12 0.00 1.94 1.85 1.02 1.00 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 42 E 8.09 3.81 0.00 1.88 1.95 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 2.28 2.41 0.00 43 E 8.24 4.01 0.00 2.03 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 2.29 2.37 0.00 44 L 7.88 4.02 0.00 1.86 1.90 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.31 2.58 0.00 0.97 1.71 0.00 3.06 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 46 L 7.28 4.01 0.00 1.75 1.64 0.86 0.97 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 47 N 7.91 4.44 0.00 2.41 2.30 0.00 0.00 6.79 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 48 Y 7.39 4.79 0.00 3.33 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 49 E 7.87 3.50 0.00 1.93 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 2.31 2.49 0.00 50 E 8.47 4.29 0.00 2.03 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 2.34 2.40 0.00 51 S 8.20 4.37 0.00 4.14 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 52 F 8.05 4.80 0.00 2.91 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 G 8.39 3.59 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 0.00 0.00 0.00 54 F 7.72 4.79 0.00 2.69 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 55 Y 8.86 5.20 0.00 2.85 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 56 Y 8.92 4.92 0.00 2.99 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 57 V 7.77 4.04 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 0.68 0.00 0.00 0.46 0.00 0.00 58 D 7.77 4.65 0.00 2.48 2.31 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 59 V 8.66 3.58 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 0.91 0.00 0.00 0.59 0.00 0.00 60 E 8.44 4.03 0.00 2.05 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 2.25 2.18 0.00 61 E 8.29 4.13 0.00 1.99 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 0.00 2.27 2.29 0.00 62 E 8.09 4.68 0.00 1.93 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 2.09 2.34 0.00 63 K 7.86 4.14 0.00 1.80 1.85 0.00 2.02 0.00 0.00 2.06 0.00 0.00 3.21 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 T 7.98 3.87 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 1.18 0.00 0.00 65 L 7.91 3.91 0.00 1.95 1.93 0.52 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.35 4.34 0.00 3.19 3.36 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 67 Q 8.49 3.81 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.46 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 68 R 8.10 3.65 0.00 1.66 1.40 0.00 2.32 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 69 F 7.35 4.37 0.00 2.64 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 70 S 7.77 3.55 0.00 3.90 3.85 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 71 L 6.83 4.29 0.00 0.54 1.31 0.31 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.45 4.69 0.00 1.65 1.77 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.47 7.81 73 G 7.89 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 0.00 0.00 0.00 0.00 74 V 7.92 4.68 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 0.82 0.00 0.00 1.03 0.00 0.00 75 P 0.00 4.95 0.00 2.24 2.30 0.00 3.70 0.00 0.00 3.83 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 76 Q 8.87 5.00 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 77 I 8.52 4.79 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.51 0.00 0.00 78 L 9.05 5.27 0.00 1.62 1.21 -0.16 0.58 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 79 Y 9.10 5.16 0.00 2.70 2.87 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 80 F 9.08 5.57 0.00 2.84 2.84 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 81 K 8.60 4.94 0.00 1.83 1.66 0.00 1.99 0.00 0.00 2.08 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 82 D 9.68 4.53 0.00 2.90 2.76 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 83 G 8.48 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.72 0.00 2.26 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 2.39 2.34 0.00 85 Y 8.83 4.62 0.00 3.27 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 86 K 8.96 4.36 0.00 1.74 1.80 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.66 7.81 87 G 7.33 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 0.00 0.00 0.00 88 K 8.39 5.94 0.00 1.97 1.73 0.00 1.78 0.00 0.00 2.55 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.50 7.81 *90 A 8.44 4.23 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 91 G 8.86 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 92 D 8.37 4.63 0.00 2.66 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 93 V 7.76 3.95 2.15 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 0.84 0.00 0.00 1.01 0.00 0.00 94 E 8.36 4.68 0.00 1.99 1.87 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 2.35 2.30 0.00 95 D 8.60 4.42 0.00 3.10 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 96 D 8.24 4.38 0.00 2.74 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 97 E 8.17 3.95 0.00 2.10 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 2.31 2.39 0.00 98 V 7.36 3.98 2.25 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 1.14 0.00 0.00 1.11 0.00 0.00 99 E 8.87 4.18 0.00 2.26 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 0.00 2.55 2.55 0.00 100 Q 8.12 3.84 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.39 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 *102 I 7.78 3.46 1.55 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.48 -0.47 0.00 0.00 103 A 7.71 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 0.00 104 D 8.38 4.40 0.00 2.51 2.65 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 0.00 0.00 0.00 0.00 105 V 7.54 3.62 2.28 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 1.37 0.00 0.00 0.93 0.00 0.00 106 L 8.10 3.95 0.00 1.64 1.77 0.97 1.29 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 0.00 107 E 8.19 4.09 0.00 2.21 1.95 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 2.26 2.35 0.00 108 D 7.43 4.70 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.